Daily Papers

Neural architecture search (NAS) with an accuracy predictor that predicts the accuracy of candidate architectures has drawn increasing attention due to its simplicity and effectiveness. Previous works usually employ neural network-based predictors which require more delicate design and are easy to overfit. Considering that most architectures are represented as sequences of discrete symbols which are more like tabular data and preferred by non-neural predictors, in this paper, we study an alternative approach which uses non-neural model for accuracy prediction. Specifically, as decision tree based models can better handle tabular data, we leverage gradient boosting decision tree (GBDT) as the predictor for NAS. We demonstrate that the GBDT predictor can achieve comparable (if not better) prediction accuracy than neural network based predictors. Moreover, considering that a compact search space can ease the search process, we propose to prune the search space gradually according to important features derived from GBDT. In this way, NAS can be performed by first pruning the search space and then searching a neural architecture, which is more efficient and effective. Experiments on NASBench-101 and ImageNet demonstrate the effectiveness of using GBDT as predictor for NAS: (1) On NASBench-101, it is 22x, 8x, and 6x more sample efficient than random search, regularized evolution, and Monte Carlo Tree Search (MCTS) in finding the global optimum; (2) It achieves 24.2% top-1 error rate on ImageNet, and further achieves 23.4% top-1 error rate on ImageNet when enhanced with search space pruning. Code is provided at https://github.com/renqianluo/GBDT-NAS.

Relation extraction is the task of extracting semantic relations between entities in a sentence. It is an essential part of some natural language processing tasks such as information extraction, knowledge extraction, and knowledge base population. The main motivations of this research stem from a lack of a dataset for relation extraction in the Persian language as well as the necessity of extracting knowledge from the growing big-data in the Persian language for different applications. In this paper, we present "PERLEX" as the first Persian dataset for relation extraction, which is an expert-translated version of the "Semeval-2010-Task-8" dataset. Moreover, this paper addresses Persian relation extraction utilizing state-of-the-art language-agnostic algorithms. We employ six different models for relation extraction on the proposed bilingual dataset, including a non-neural model (as the baseline), three neural models, and two deep learning models fed by multilingual-BERT contextual word representations. The experiments result in the maximum f-score 77.66% (provided by BERTEM-MTB method) as the state-of-the-art of relation extraction in the Persian language.

Visual modifications to text are often used to obfuscate offensive comments in social media (e.g., "!d10t") or as a writing style ("1337" in "leet speak"), among other scenarios. We consider this as a new type of adversarial attack in NLP, a setting to which humans are very robust, as our experiments with both simple and more difficult visual input perturbations demonstrate. We then investigate the impact of visual adversarial attacks on current NLP systems on character-, word-, and sentence-level tasks, showing that both neural and non-neural models are, in contrast to humans, extremely sensitive to such attacks, suffering performance decreases of up to 82\%. We then explore three shielding methods---visual character embeddings, adversarial training, and rule-based recovery---which substantially improve the robustness of the models. However, the shielding methods still fall behind performances achieved in non-attack scenarios, which demonstrates the difficulty of dealing with visual attacks.

We present a complete system for real-time rendering of scenes with complex appearance previously reserved for offline use. This is achieved with a combination of algorithmic and system level innovations. Our appearance model utilizes learned hierarchical textures that are interpreted using neural decoders, which produce reflectance values and importance-sampled directions. To best utilize the modeling capacity of the decoders, we equip the decoders with two graphics priors. The first prior -- transformation of directions into learned shading frames -- facilitates accurate reconstruction of mesoscale effects. The second prior -- a microfacet sampling distribution -- allows the neural decoder to perform importance sampling efficiently. The resulting appearance model supports anisotropic sampling and level-of-detail rendering, and allows baking deeply layered material graphs into a compact unified neural representation. By exposing hardware accelerated tensor operations to ray tracing shaders, we show that it is possible to inline and execute the neural decoders efficiently inside a real-time path tracer. We analyze scalability with increasing number of neural materials and propose to improve performance using code optimized for coherent and divergent execution. Our neural material shaders can be over an order of magnitude faster than non-neural layered materials. This opens up the door for using film-quality visuals in real-time applications such as games and live previews.

Contextual spelling correction models are an alternative to shallow fusion to improve automatic speech recognition (ASR) quality given user vocabulary. To deal with large user vocabularies, most of these models include candidate retrieval mechanisms, usually based on minimum edit distance between fragments of ASR hypothesis and user phrases. However, the edit-distance approach is slow, non-trainable, and may have low recall as it relies only on common letters. We propose: 1) a novel algorithm for candidate retrieval, based on misspelled n-gram mappings, which gives up to 90% recall with just the top 10 candidates on Spoken Wikipedia; 2) a non-autoregressive neural model based on BERT architecture, where the initial transcript and ten candidates are combined into one input. The experiments on Spoken Wikipedia show 21.4% word error rate improvement compared to a baseline ASR system.

Federated learning (FL) is an emerging machine learning (ML) training paradigm where clients own their data and collaborate to train a global model, without revealing any data to the server and other participants. Researchers commonly perform experiments in a simulation environment to quickly iterate on ideas. However, existing open-source tools do not offer the efficiency required to simulate FL on larger and more realistic FL datasets. We introduce pfl-research, a fast, modular, and easy-to-use Python framework for simulating FL. It supports TensorFlow, PyTorch, and non-neural network models, and is tightly integrated with state-of-the-art privacy algorithms. We study the speed of open-source FL frameworks and show that pfl-research is 7-72times faster than alternative open-source frameworks on common cross-device setups. Such speedup will significantly boost the productivity of the FL research community and enable testing hypotheses on realistic FL datasets that were previously too resource intensive. We release a suite of benchmarks that evaluates an algorithm's overall performance on a diverse set of realistic scenarios. The code is available on GitHub at https://github.com/apple/pfl-research.

Automatic Readability Assessment (ARA), the task of assigning a reading level to a text, is traditionally treated as a classification problem in NLP research. In this paper, we propose the first neural, pairwise ranking approach to ARA and compare it with existing classification, regression, and (non-neural) ranking methods. We establish the performance of our model by conducting experiments with three English, one French and one Spanish datasets. We demonstrate that our approach performs well in monolingual single/cross corpus testing scenarios and achieves a zero-shot cross-lingual ranking accuracy of over 80% for both French and Spanish when trained on English data. Additionally, we also release a new parallel bilingual readability dataset in English and French. To our knowledge, this paper proposes the first neural pairwise ranking model for ARA, and shows the first results of cross-lingual, zero-shot evaluation of ARA with neural models.

We propose TalkNet, a non-autoregressive convolutional neural model for speech synthesis with explicit pitch and duration prediction. The model consists of three feed-forward convolutional networks. The first network predicts grapheme durations. An input text is expanded by repeating each symbol according to the predicted duration. The second network predicts pitch value for every mel frame. The third network generates a mel-spectrogram from the expanded text conditioned on predicted pitch. All networks are based on 1D depth-wise separable convolutional architecture. The explicit duration prediction eliminates word skipping and repeating. The quality of the generated speech nearly matches the best auto-regressive models - TalkNet trained on the LJSpeech dataset got MOS 4.08. The model has only 13.2M parameters, almost 2x less than the present state-of-the-art text-to-speech models. The non-autoregressive architecture allows for fast training and inference. The small model size and fast inference make the TalkNet an attractive candidate for embedded speech synthesis.

Neural models that do not rely on pre-training have excelled in the keyphrase generation task with large annotated datasets. Meanwhile, new approaches have incorporated pre-trained language models (PLMs) for their data efficiency. However, there lacks a systematic study of how the two types of approaches compare and how different design choices can affect the performance of PLM-based models. To fill in this knowledge gap and facilitate a more informed use of PLMs for keyphrase extraction and keyphrase generation, we present an in-depth empirical study. Formulating keyphrase extraction as sequence labeling and keyphrase generation as sequence-to-sequence generation, we perform extensive experiments in three domains. After showing that PLMs have competitive high-resource performance and state-of-the-art low-resource performance, we investigate important design choices including in-domain PLMs, PLMs with different pre-training objectives, using PLMs with a parameter budget, and different formulations for present keyphrases. Further results show that (1) in-domain BERT-like PLMs can be used to build strong and data-efficient keyphrase generation models; (2) with a fixed parameter budget, prioritizing model depth over width and allocating more layers in the encoder leads to better encoder-decoder models; and (3) introducing four in-domain PLMs, we achieve a competitive performance in the news domain and the state-of-the-art performance in the scientific domain.

Existing approaches to neural machine translation condition each output word on previously generated outputs. We introduce a model that avoids this autoregressive property and produces its outputs in parallel, allowing an order of magnitude lower latency during inference. Through knowledge distillation, the use of input token fertilities as a latent variable, and policy gradient fine-tuning, we achieve this at a cost of as little as 2.0 BLEU points relative to the autoregressive Transformer network used as a teacher. We demonstrate substantial cumulative improvements associated with each of the three aspects of our training strategy, and validate our approach on IWSLT 2016 English-German and two WMT language pairs. By sampling fertilities in parallel at inference time, our non-autoregressive model achieves near-state-of-the-art performance of 29.8 BLEU on WMT 2016 English-Romanian.

Neural waveform models such as the WaveNet are used in many recent text-to-speech systems, but the original WaveNet is quite slow in waveform generation because of its autoregressive (AR) structure. Although faster non-AR models were recently reported, they may be prohibitively complicated due to the use of a distilling training method and the blend of other disparate training criteria. This study proposes a non-AR neural source-filter waveform model that can be directly trained using spectrum-based training criteria and the stochastic gradient descent method. Given the input acoustic features, the proposed model first uses a source module to generate a sine-based excitation signal and then uses a filter module to transform the excitation signal into the output speech waveform. Our experiments demonstrated that the proposed model generated waveforms at least 100 times faster than the AR WaveNet and the quality of its synthetic speech is close to that of speech generated by the AR WaveNet. Ablation test results showed that both the sine-wave excitation signal and the spectrum-based training criteria were essential to the performance of the proposed model.

Autoregressive decoding is the only part of sequence-to-sequence models that prevents them from massive parallelization at inference time. Non-autoregressive models enable the decoder to generate all output symbols independently in parallel. We present a novel non-autoregressive architecture based on connectionist temporal classification and evaluate it on the task of neural machine translation. Unlike other non-autoregressive methods which operate in several steps, our model can be trained end-to-end. We conduct experiments on the WMT English-Romanian and English-German datasets. Our models achieve a significant speedup over the autoregressive models, keeping the translation quality comparable to other non-autoregressive models.

Denoising diffusion probabilistic models (DDPMs) and generative adversarial networks (GANs) are popular generative models for neural vocoders. The DDPMs and GANs can be characterized by the iterative denoising framework and adversarial training, respectively. This study proposes a fast and high-quality neural vocoder called WaveFit, which integrates the essence of GANs into a DDPM-like iterative framework based on fixed-point iteration. WaveFit iteratively denoises an input signal, and trains a deep neural network (DNN) for minimizing an adversarial loss calculated from intermediate outputs at all iterations. Subjective (side-by-side) listening tests showed no statistically significant differences in naturalness between human natural speech and those synthesized by WaveFit with five iterations. Furthermore, the inference speed of WaveFit was more than 240 times faster than WaveRNN. Audio demos are available at google.github.io/df-conformer/wavefit/.

We propose Citrinet - a new end-to-end convolutional Connectionist Temporal Classification (CTC) based automatic speech recognition (ASR) model. Citrinet is deep residual neural model which uses 1D time-channel separable convolutions combined with sub-word encoding and squeeze-and-excitation. The resulting architecture significantly reduces the gap between non-autoregressive and sequence-to-sequence and transducer models. We evaluate Citrinet on LibriSpeech, TED-LIUM2, AISHELL-1 and Multilingual LibriSpeech (MLS) English speech datasets. Citrinet accuracy on these datasets is close to the best autoregressive Transducer models.

We present two novel unsupervised methods for eliminating toxicity in text. Our first method combines two recent ideas: (1) guidance of the generation process with small style-conditional language models and (2) use of paraphrasing models to perform style transfer. We use a well-performing paraphraser guided by style-trained language models to keep the text content and remove toxicity. Our second method uses BERT to replace toxic words with their non-offensive synonyms. We make the method more flexible by enabling BERT to replace mask tokens with a variable number of words. Finally, we present the first large-scale comparative study of style transfer models on the task of toxicity removal. We compare our models with a number of methods for style transfer. The models are evaluated in a reference-free way using a combination of unsupervised style transfer metrics. Both methods we suggest yield new SOTA results.

Memory-based meta-learning is a technique for approximating Bayes-optimal predictors. Under fairly general conditions, minimizing sequential prediction error, measured by the log loss, leads to implicit meta-learning. The goal of this work is to investigate how far this interpretation can be realized by current sequence prediction models and training regimes. The focus is on piecewise stationary sources with unobserved switching-points, which arguably capture an important characteristic of natural language and action-observation sequences in partially observable environments. We show that various types of memory-based neural models, including Transformers, LSTMs, and RNNs can learn to accurately approximate known Bayes-optimal algorithms and behave as if performing Bayesian inference over the latent switching-points and the latent parameters governing the data distribution within each segment.

Legal text retrieval serves as a key component in a wide range of legal text processing tasks such as legal question answering, legal case entailment, and statute law retrieval. The performance of legal text retrieval depends, to a large extent, on the representation of text, both query and legal documents. Based on good representations, a legal text retrieval model can effectively match the query to its relevant documents. Because legal documents often contain long articles and only some parts are relevant to queries, it is quite a challenge for existing models to represent such documents. In this paper, we study the use of attentive neural network-based text representation for statute law document retrieval. We propose a general approach using deep neural networks with attention mechanisms. Based on it, we develop two hierarchical architectures with sparse attention to represent long sentences and articles, and we name them Attentive CNN and Paraformer. The methods are evaluated on datasets of different sizes and characteristics in English, Japanese, and Vietnamese. Experimental results show that: i) Attentive neural methods substantially outperform non-neural methods in terms of retrieval performance across datasets and languages; ii) Pretrained transformer-based models achieve better accuracy on small datasets at the cost of high computational complexity while lighter weight Attentive CNN achieves better accuracy on large datasets; and iii) Our proposed Paraformer outperforms state-of-the-art methods on COLIEE dataset, achieving the highest recall and F2 scores in the top-N retrieval task.

Traditionally, most data-to-text applications have been designed using a modular pipeline architecture, in which non-linguistic input data is converted into natural language through several intermediate transformations. In contrast, recent neural models for data-to-text generation have been proposed as end-to-end approaches, where the non-linguistic input is rendered in natural language with much less explicit intermediate representations in-between. This study introduces a systematic comparison between neural pipeline and end-to-end data-to-text approaches for the generation of text from RDF triples. Both architectures were implemented making use of state-of-the art deep learning methods as the encoder-decoder Gated-Recurrent Units (GRU) and Transformer. Automatic and human evaluations together with a qualitative analysis suggest that having explicit intermediate steps in the generation process results in better texts than the ones generated by end-to-end approaches. Moreover, the pipeline models generalize better to unseen inputs. Data and code are publicly available.

Split conformal prediction has recently sparked great interest due to its ability to provide formally guaranteed uncertainty sets or intervals for predictions made by black-box neural models, ensuring a predefined probability of containing the actual ground truth. While the original formulation assumes data exchangeability, some extensions handle non-exchangeable data, which is often the case in many real-world scenarios. In parallel, some progress has been made in conformal methods that provide statistical guarantees for a broader range of objectives, such as bounding the best F_1-score or minimizing the false negative rate in expectation. In this paper, we leverage and extend these two lines of work by proposing non-exchangeable conformal risk control, which allows controlling the expected value of any monotone loss function when the data is not exchangeable. Our framework is flexible, makes very few assumptions, and allows weighting the data based on its relevance for a given test example; a careful choice of weights may result on tighter bounds, making our framework useful in the presence of change points, time series, or other forms of distribution drift. Experiments with both synthetic and real world data show the usefulness of our method.

We present DREAM, the first dialogue-based multiple-choice reading comprehension dataset. Collected from English-as-a-foreign-language examinations designed by human experts to evaluate the comprehension level of Chinese learners of English, our dataset contains 10,197 multiple-choice questions for 6,444 dialogues. In contrast to existing reading comprehension datasets, DREAM is the first to focus on in-depth multi-turn multi-party dialogue understanding. DREAM is likely to present significant challenges for existing reading comprehension systems: 84% of answers are non-extractive, 85% of questions require reasoning beyond a single sentence, and 34% of questions also involve commonsense knowledge. We apply several popular neural reading comprehension models that primarily exploit surface information within the text and find them to, at best, just barely outperform a rule-based approach. We next investigate the effects of incorporating dialogue structure and different kinds of general world knowledge into both rule-based and (neural and non-neural) machine learning-based reading comprehension models. Experimental results on the DREAM dataset show the effectiveness of dialogue structure and general world knowledge. DREAM will be available at https://dataset.org/dream/.

We introduce a language generation task grounded in a popular video game environment. KNUDGE (KNowledge Constrained User-NPC Dialogue GEneration) requires models to produce trees of dialogue between video game characters that accurately reflect quest and entity specifications stated in natural language. KNUDGE is constructed from side quest dialogues drawn directly from game data of Obsidian Entertainment's The Outer Worlds, leading to real-world complexities in generation: (1) dialogues are branching trees as opposed to linear chains of utterances; (2) utterances must remain faithful to the game lore -- character personas, backstories, and entity relationships; and (3) a dialogue must accurately reveal new quest details to the human player. We report results for a set of neural generation models using supervised and in-context learning techniques; we find competent performance but room for future work addressing the challenges of creating realistic, game-quality dialogues.

Large language models (LLMs) have demonstrated remarkable multilingual capabilities, however, how to evaluate cross-lingual alignment remains underexplored. Existing alignment benchmarks primarily focus on sentence embeddings, but prior research has shown that neural models tend to induce a non-smooth representation space, which impact of semantic alignment evaluation on low-resource languages. Inspired by neuroscientific findings that similar information activates overlapping neuronal regions, we propose a novel Neuron State-Based Cross-Lingual Alignment (NeuronXA) to assess the cross-lingual a lignment capabilities of LLMs, which offers a more semantically grounded approach to assess cross-lingual alignment. We evaluate NeuronXA on several prominent multilingual LLMs (LLaMA, Qwen, Mistral, GLM, and OLMo) across two transfer tasks and three multilingual benchmarks. The results demonstrate that with only 100 parallel sentence pairs, NeuronXA achieves a Pearson correlation of 0.9556 with downstream tasks performance and 0.8514 with transferability. These findings demonstrate NeuronXA's effectiveness in assessing both cross-lingual alignment and transferability, even with a small dataset. This highlights its potential to advance cross-lingual alignment research and to improve the semantic understanding of multilingual LLMs.

The recent advances in language modeling significantly improved the generative capabilities of deep neural models: in 2019 OpenAI released GPT-2, a pre-trained language model that can autonomously generate coherent, non-trivial and human-like text samples. Since then, ever more powerful text generative models have been developed. Adversaries can exploit these tremendous generative capabilities to enhance social bots that will have the ability to write plausible deepfake messages, hoping to contaminate public debate. To prevent this, it is crucial to develop deepfake social media messages detection systems. However, to the best of our knowledge no one has ever addressed the detection of machine-generated texts on social networks like Twitter or Facebook. With the aim of helping the research in this detection field, we collected the first dataset of \real deepfake tweets, TweepFake. It is real in the sense that each deepfake tweet was actually posted on Twitter. We collected tweets from a total of 23 bots, imitating 17 human accounts. The bots are based on various generation techniques, i.e., Markov Chains, RNN, RNN+Markov, LSTM, GPT-2. We also randomly selected tweets from the humans imitated by the bots to have an overall balanced dataset of 25,572 tweets (half human and half bots generated). The dataset is publicly available on Kaggle. Lastly, we evaluated 13 deepfake text detection methods (based on various state-of-the-art approaches) to both demonstrate the challenges that Tweepfake poses and create a solid baseline of detection techniques. We hope that TweepFake can offer the opportunity to tackle the deepfake detection on social media messages as well.

Generic Event Boundary Detection (GEBD) task aims to recognize generic, taxonomy-free boundaries that segment a video into meaningful events. Current methods typically involve a neural model trained on a large volume of data, demanding substantial computational power and storage space. We explore two pivotal questions pertaining to GEBD: Can non-parametric algorithms outperform unsupervised neural methods? Does motion information alone suffice for high performance? This inquiry drives us to algorithmically harness motion cues for identifying generic event boundaries in videos. In this work, we propose FlowGEBD, a non-parametric, unsupervised technique for GEBD. Our approach entails two algorithms utilizing optical flow: (i) Pixel Tracking and (ii) Flow Normalization. By conducting thorough experimentation on the challenging Kinetics-GEBD and TAPOS datasets, our results establish FlowGEBD as the new state-of-the-art (SOTA) among unsupervised methods. FlowGEBD exceeds the neural models on the Kinetics-GEBD dataset by obtaining an F1@0.05 score of 0.713 with an absolute gain of 31.7% compared to the unsupervised baseline and achieves an average F1 score of 0.623 on the TAPOS validation dataset.

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current literature is fragmented when it comes to datasets and standardized evaluation techniques. To facilitate progress in this field, we introduce the Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. We curate tasks into specific training, validation, and test splits to ensure that each task tests biologically relevant generalization that transfers to real-life scenarios. We benchmark a range of approaches to semi-supervised protein representation learning, which span recent work as well as canonical sequence learning techniques. We find that self-supervised pretraining is helpful for almost all models on all tasks, more than doubling performance in some cases. Despite this increase, in several cases features learned by self-supervised pretraining still lag behind features extracted by state-of-the-art non-neural techniques. This gap in performance suggests a huge opportunity for innovative architecture design and improved modeling paradigms that better capture the signal in biological sequences. TAPE will help the machine learning community focus effort on scientifically relevant problems. Toward this end, all data and code used to run these experiments are available at https://github.com/songlab-cal/tape.

A consistent body of evidence suggests that dream reports significantly vary from other types of textual transcripts with respect to semantic content. Furthermore, it appears to be a widespread belief in the dream/sleep research community that dream reports constitute rather ``unique'' strings of text. This might be a notable issue for the growing amount of approaches using natural language processing (NLP) tools to automatically analyse dream reports, as they largely rely on neural models trained on non-dream corpora scraped from the web. In this work, I will adopt state-of-the-art (SotA) large language models (LLMs), to study if and how dream reports deviate from other human-generated text strings, such as Wikipedia. Results show that, taken as a whole, DreamBank does not deviate from Wikipedia. Moreover, on average, single dream reports are significantly more predictable than Wikipedia articles. Preliminary evidence suggests that word count, gender, and visual impairment can significantly shape how predictable a dream report can appear to the model.

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of transformations can potentially help train generative distributions more efficiently, simplifying the reverse process and closing the gap between the true negative log-likelihood and the variational approximation. In this paper, we present Neural Diffusion Models (NDMs), a generalization of conventional diffusion models that enables defining and learning time-dependent non-linear transformations of data. We show how to optimise NDMs using a variational bound in a simulation-free setting. Moreover, we derive a time-continuous formulation of NDMs, which allows fast and reliable inference using off-the-shelf numerical ODE and SDE solvers. Finally, we demonstrate the utility of NDMs with learnable transformations through experiments on standard image generation benchmarks, including CIFAR-10, downsampled versions of ImageNet and CelebA-HQ. NDMs outperform conventional diffusion models in terms of likelihood and produce high-quality samples.

Recent work on non-autoregressive neural machine translation (NAT) aims at improving the efficiency by parallel decoding without sacrificing the quality. However, existing NAT methods are either inferior to Transformer or require multiple decoding passes, leading to reduced speedup. We propose the Glancing Language Model (GLM), a method to learn word interdependency for single-pass parallel generation models. With GLM, we develop Glancing Transformer (GLAT) for machine translation. With only single-pass parallel decoding, GLAT is able to generate high-quality translation with 8-15 times speedup. Experiments on multiple WMT language directions show that GLAT outperforms all previous single pass non-autoregressive methods, and is nearly comparable to Transformer, reducing the gap to 0.25-0.9 BLEU points.

Both convolutional and recurrent operations are building blocks that process one local neighborhood at a time. In this paper, we present non-local operations as a generic family of building blocks for capturing long-range dependencies. Inspired by the classical non-local means method in computer vision, our non-local operation computes the response at a position as a weighted sum of the features at all positions. This building block can be plugged into many computer vision architectures. On the task of video classification, even without any bells and whistles, our non-local models can compete or outperform current competition winners on both Kinetics and Charades datasets. In static image recognition, our non-local models improve object detection/segmentation and pose estimation on the COCO suite of tasks. Code is available at https://github.com/facebookresearch/video-nonlocal-net .

Reconstructing dynamic objects from monocular videos is a severely underconstrained and challenging problem, and recent work has approached it in various directions. However, owing to the ill-posed nature of this problem, there has been no solution that can provide consistent, high-quality novel views from camera positions that are significantly different from the training views. In this work, we introduce Neural Parametric Gaussians (NPGs) to take on this challenge by imposing a two-stage approach: first, we fit a low-rank neural deformation model, which then is used as regularization for non-rigid reconstruction in the second stage. The first stage learns the object's deformations such that it preserves consistency in novel views. The second stage obtains high reconstruction quality by optimizing 3D Gaussians that are driven by the coarse model. To this end, we introduce a local 3D Gaussian representation, where temporally shared Gaussians are anchored in and deformed by local oriented volumes. The resulting combined model can be rendered as radiance fields, resulting in high-quality photo-realistic reconstructions of the non-rigidly deforming objects, maintaining 3D consistency across novel views. We demonstrate that NPGs achieve superior results compared to previous works, especially in challenging scenarios with few multi-view cues.

With growing size of Neural Networks (NNs), model sparsification to reduce the computational cost and memory demand for model inference has become of vital interest for both research and production. While many sparsification methods have been proposed and successfully applied on individual models, to the best of our knowledge their behavior and robustness has not yet been studied on large populations of models. With this paper, we address that gap by applying two popular sparsification methods on populations of models (so called model zoos) to create sparsified versions of the original zoos. We investigate the performance of these two methods for each zoo, compare sparsification layer-wise, and analyse agreement between original and sparsified populations. We find both methods to be very robust with magnitude pruning able outperform variational dropout with the exception of high sparsification ratios above 80%. Further, we find sparsified models agree to a high degree with their original non-sparsified counterpart, and that the performance of original and sparsified model is highly correlated. Finally, all models of the model zoos and their sparsified model twins are publicly available: modelzoos.cc.

Neural populations exhibit latent dynamical structures that drive time-evolving spiking activities, motivating the search for models that capture both intrinsic network dynamics and external unobserved influences. In this work, we introduce LangevinFlow, a sequential Variational Auto-Encoder where the time evolution of latent variables is governed by the underdamped Langevin equation. Our approach incorporates physical priors -- such as inertia, damping, a learned potential function, and stochastic forces -- to represent both autonomous and non-autonomous processes in neural systems. Crucially, the potential function is parameterized as a network of locally coupled oscillators, biasing the model toward oscillatory and flow-like behaviors observed in biological neural populations. Our model features a recurrent encoder, a one-layer Transformer decoder, and Langevin dynamics in the latent space. Empirically, our method outperforms state-of-the-art baselines on synthetic neural populations generated by a Lorenz attractor, closely matching ground-truth firing rates. On the Neural Latents Benchmark (NLB), the model achieves superior held-out neuron likelihoods (bits per spike) and forward prediction accuracy across four challenging datasets. It also matches or surpasses alternative methods in decoding behavioral metrics such as hand velocity. Overall, this work introduces a flexible, physics-inspired, high-performing framework for modeling complex neural population dynamics and their unobserved influences.

Retrieval and ranking models are the backbone of many applications such as web search, open domain QA, or text-based recommender systems. The latency of neural ranking models at query time is largely dependent on the architecture and deliberate choices by their designers to trade-off effectiveness for higher efficiency. This focus on low query latency of a rising number of efficient ranking architectures make them feasible for production deployment. In machine learning an increasingly common approach to close the effectiveness gap of more efficient models is to apply knowledge distillation from a large teacher model to a smaller student model. We find that different ranking architectures tend to produce output scores in different magnitudes. Based on this finding, we propose a cross-architecture training procedure with a margin focused loss (Margin-MSE), that adapts knowledge distillation to the varying score output distributions of different BERT and non-BERT passage ranking architectures. We apply the teachable information as additional fine-grained labels to existing training triples of the MSMARCO-Passage collection. We evaluate our procedure of distilling knowledge from state-of-the-art concatenated BERT models to four different efficient architectures (TK, ColBERT, PreTT, and a BERT CLS dot product model). We show that across our evaluated architectures our Margin-MSE knowledge distillation significantly improves re-ranking effectiveness without compromising their efficiency. Additionally, we show our general distillation method to improve nearest neighbor based index retrieval with the BERT dot product model, offering competitive results with specialized and much more costly training methods. To benefit the community, we publish the teacher-score training files in a ready-to-use package.

As the size of large language models continue to scale, so does the computational resources required to run it. Spiking Neural Networks (SNNs) have emerged as an energy-efficient approach to deep learning that leverage sparse and event-driven activations to reduce the computational overhead associated with model inference. While they have become competitive with non-spiking models on many computer vision tasks, SNNs have also proven to be more challenging to train. As a result, their performance lags behind modern deep learning, and we are yet to see the effectiveness of SNNs in language generation. In this paper, inspired by the Receptance Weighted Key Value (RWKV) language model, we successfully implement `SpikeGPT', a generative language model with binary, event-driven spiking activation units. We train the proposed model on two model variants: 45M and 216M parameters. To the best of our knowledge, SpikeGPT is the largest backpropagation-trained SNN model to date, rendering it suitable for both the generation and comprehension of natural language. We achieve this by modifying the transformer block to replace multi-head self attention to reduce quadratic computational complexity O(N^2) to linear complexity O(N) with increasing sequence length. Input tokens are instead streamed in sequentially to our attention mechanism (as with typical SNNs). Our preliminary experiments show that SpikeGPT remains competitive with non-spiking models on tested benchmarks, while maintaining 20x fewer operations when processed on neuromorphic hardware that can leverage sparse, event-driven activations. Our code implementation is available at https://github.com/ridgerchu/SpikeGPT.

Computational Fluid Dynamics (CFD) simulation by the numerical solution of the Navier-Stokes equations is an essential tool in a wide range of applications from engineering design to climate modeling. However, the computational cost and memory demand required by CFD codes may become very high for flows of practical interest, such as in aerodynamic shape optimization. This expense is associated with the complexity of the fluid flow governing equations, which include non-linear partial derivative terms that are of difficult solution, leading to long computational times and limiting the number of hypotheses that can be tested during the process of iterative design. Therefore, we propose DeepCFD: a convolutional neural network (CNN) based model that efficiently approximates solutions for the problem of non-uniform steady laminar flows. The proposed model is able to learn complete solutions of the Navier-Stokes equations, for both velocity and pressure fields, directly from ground-truth data generated using a state-of-the-art CFD code. Using DeepCFD, we found a speedup of up to 3 orders of magnitude compared to the standard CFD approach at a cost of low error rates.

Although neural end-to-end text-to-speech models can synthesize highly natural speech, there is still room for improvements to its efficiency and naturalness. This paper proposes a non-autoregressive neural text-to-speech model augmented with a variational autoencoder-based residual encoder. This model, called Parallel Tacotron, is highly parallelizable during both training and inference, allowing efficient synthesis on modern parallel hardware. The use of the variational autoencoder relaxes the one-to-many mapping nature of the text-to-speech problem and improves naturalness. To further improve the naturalness, we use lightweight convolutions, which can efficiently capture local contexts, and introduce an iterative spectrogram loss inspired by iterative refinement. Experimental results show that Parallel Tacotron matches a strong autoregressive baseline in subjective evaluations with significantly decreased inference time.

Motivated by the recent progresses on machine learning-based models that learn artistic styles, in this paper we focus on the problem of poem generation. This is a challenging task in which the machine has to capture the linguistic features that strongly characterize a certain poet, as well as the semantics of the poet's production, that are influenced by his personal experiences and by his literary background. Since poetry is constructed using syllables, that regulate the form and structure of poems, we propose a syllable-based neural language model, and we describe a poem generation mechanism that is designed around the poet style, automatically selecting the most representative generations. The poetic work of a target author is usually not enough to successfully train modern deep neural networks, so we propose a multi-stage procedure that exploits non-poetic works of the same author, and also other publicly available huge corpora to learn syntax and grammar of the target language. We focus on the Italian poet Dante Alighieri, widely famous for his Divine Comedy. A quantitative and qualitative experimental analysis of the generated tercets is reported, where we included expert judges with strong background in humanistic studies. The generated tercets are frequently considered to be real by a generic population of judges, with relative difference of 56.25\% with respect to the ones really authored by Dante, and expert judges perceived Dante's style and rhymes in the generated text.

Despite much progress, achieving real-time high-fidelity head avatar animation is still difficult and existing methods have to trade-off between speed and quality. 3DMM based methods often fail to model non-facial structures such as eyeglasses and hairstyles, while neural implicit models suffer from deformation inflexibility and rendering inefficiency. Although 3D Gaussian has been demonstrated to possess promising capability for geometry representation and radiance field reconstruction, applying 3D Gaussian in head avatar creation remains a major challenge since it is difficult for 3D Gaussian to model the head shape variations caused by changing poses and expressions. In this paper, we introduce PSAvatar, a novel framework for animatable head avatar creation that utilizes discrete geometric primitive to create a parametric morphable shape model and employs 3D Gaussian for fine detail representation and high fidelity rendering. The parametric morphable shape model is a Point-based Morphable Shape Model (PMSM) which uses points instead of meshes for 3D representation to achieve enhanced representation flexibility. The PMSM first converts the FLAME mesh to points by sampling on the surfaces as well as off the meshes to enable the reconstruction of not only surface-like structures but also complex geometries such as eyeglasses and hairstyles. By aligning these points with the head shape in an analysis-by-synthesis manner, the PMSM makes it possible to utilize 3D Gaussian for fine detail representation and appearance modeling, thus enabling the creation of high-fidelity avatars. We show that PSAvatar can reconstruct high-fidelity head avatars of a variety of subjects and the avatars can be animated in real-time (ge 25 fps at a resolution of 512 times 512 ).

State of the art (SOTA) neural text to speech (TTS) models can generate natural-sounding synthetic voices. These models are characterized by large memory footprints and substantial number of operations due to the long-standing focus on speech quality with cloud inference in mind. Neural TTS models are generally not designed to perform standalone speech syntheses on resource-constrained and no Internet access edge devices. In this work, an efficient neural TTS called EfficientSpeech that synthesizes speech on an ARM CPU in real-time is proposed. EfficientSpeech uses a shallow non-autoregressive pyramid-structure transformer forming a U-Network. EfficientSpeech has 266k parameters and consumes 90 MFLOPS only or about 1% of the size and amount of computation in modern compact models such as Mixer-TTS. EfficientSpeech achieves an average mel generation real-time factor of 104.3 on an RPi4. Human evaluation shows only a slight degradation in audio quality as compared to FastSpeech2.

Differently from the traditional statistical MT that decomposes the translation task into distinct separately learned components, neural machine translation uses a single neural network to model the entire translation process. Despite neural machine translation being de-facto standard, it is still not clear how NMT models acquire different competences over the course of training, and how this mirrors the different models in traditional SMT. In this work, we look at the competences related to three core SMT components and find that during training, NMT first focuses on learning target-side language modeling, then improves translation quality approaching word-by-word translation, and finally learns more complicated reordering patterns. We show that this behavior holds for several models and language pairs. Additionally, we explain how such an understanding of the training process can be useful in practice and, as an example, show how it can be used to improve vanilla non-autoregressive neural machine translation by guiding teacher model selection.

Humans and animals have the ability to continually acquire, fine-tune, and transfer knowledge and skills throughout their lifespan. This ability, referred to as lifelong learning, is mediated by a rich set of neurocognitive mechanisms that together contribute to the development and specialization of our sensorimotor skills as well as to long-term memory consolidation and retrieval. Consequently, lifelong learning capabilities are crucial for autonomous agents interacting in the real world and processing continuous streams of information. However, lifelong learning remains a long-standing challenge for machine learning and neural network models since the continual acquisition of incrementally available information from non-stationary data distributions generally leads to catastrophic forgetting or interference. This limitation represents a major drawback for state-of-the-art deep neural network models that typically learn representations from stationary batches of training data, thus without accounting for situations in which information becomes incrementally available over time. In this review, we critically summarize the main challenges linked to lifelong learning for artificial learning systems and compare existing neural network approaches that alleviate, to different extents, catastrophic forgetting. We discuss well-established and emerging research motivated by lifelong learning factors in biological systems such as structural plasticity, memory replay, curriculum and transfer learning, intrinsic motivation, and multisensory integration.

Classical self-supervised networks suffer from convergence problems and reduced segmentation accuracy due to forceful termination. Qubits or bi-level quantum bits often describe quantum neural network models. In this article, a novel self-supervised shallow learning network model exploiting the sophisticated three-level qutrit-inspired quantum information system referred to as Quantum Fully Self-Supervised Neural Network (QFS-Net) is presented for automated segmentation of brain MR images. The QFS-Net model comprises a trinity of a layered structure of qutrits inter-connected through parametric Hadamard gates using an 8-connected second-order neighborhood-based topology. The non-linear transformation of the qutrit states allows the underlying quantum neural network model to encode the quantum states, thereby enabling a faster self-organized counter-propagation of these states between the layers without supervision. The suggested QFS-Net model is tailored and extensively validated on Cancer Imaging Archive (TCIA) data set collected from Nature repository and also compared with state of the art supervised (U-Net and URes-Net architectures) and the self-supervised QIS-Net model. Results shed promising segmented outcome in detecting tumors in terms of dice similarity and accuracy with minimum human intervention and computational resources.

In the English speech-to-text (STT) machine learning task, acoustic models are conventionally trained on uncased Latin characters, and any necessary orthography (such as capitalization, punctuation, and denormalization of non-standard words) is imputed by separate post-processing models. This adds complexity and limits performance, as many formatting tasks benefit from semantic information present in the acoustic signal but absent in transcription. Here we propose a new STT task: end-to-end neural transcription with fully formatted text for target labels. We present baseline Conformer-based models trained on a corpus of 5,000 hours of professionally transcribed earnings calls, achieving a CER of 1.7. As a contribution to the STT research community, we release the corpus free for non-commercial use at https://datasets.kensho.com/datasets/scribe.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due to structured relations between samples, it remains unclear how to best incorporate this structure within existing boosting pipelines. To this end, we propose a generalized framework for iterating boosting with graph propagation steps that share node/sample information across edges connecting related samples. Unlike previous efforts to integrate graph-based models with boosting, our approach is anchored in a principled meta loss function such that provable convergence can be guaranteed under relatively mild assumptions. Across a variety of non-iid graph datasets with tabular node features, our method achieves comparable or superior performance than both tabular and graph neural network models, as well as existing hybrid strategies that combine the two. Beyond producing better predictive performance than recently proposed graph models, our proposed techniques are easy to implement, computationally more efficient, and enjoy stronger theoretical guarantees (which make our results more reproducible).

The recent advancements in deep learning have brought about significant changes in various aspects of people's lives. Meanwhile, these rapid developments have raised concerns about the legitimacy of the training process of deep neural networks. To protect the intellectual properties of AI developers, directly examining the training process by accessing the model parameters and training data is often prohibited for verifiers. In response to this challenge, we present zero-knowledge deep learning (zkDL), an efficient zero-knowledge proof for deep learning training. To address the long-standing challenge of verifiable computations of non-linearities in deep learning training, we introduce zkReLU, a specialized proof for the ReLU activation and its backpropagation. zkReLU turns the disadvantage of non-arithmetic relations into an advantage, leading to the creation of FAC4DNN, our specialized arithmetic circuit design for modelling neural networks. This design aggregates the proofs over different layers and training steps, without being constrained by their sequential order in the training process. With our new CUDA implementation that achieves full compatibility with the tensor structures and the aggregated proof design, zkDL enables the generation of complete and sound proofs in less than a second per batch update for an 8-layer neural network with 10M parameters and a batch size of 64, while provably ensuring the privacy of data and model parameters. To our best knowledge, we are not aware of any existing work on zero-knowledge proof of deep learning training that is scalable to million-size networks.

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-k sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-k sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.

Convolutional neural network (CNN) models for computer vision are powerful but lack explainability in their most basic form. This deficiency remains a key challenge when applying CNNs in important domains. Recent work on explanations through feature importance of approximate linear models has moved from input-level features (pixels or segments) to features from mid-layer feature maps in the form of concept activation vectors (CAVs). CAVs contain concept-level information and could be learned via clustering. In this work, we rethink the ACE algorithm of Ghorbani et~al., proposing an alternative invertible concept-based explanation (ICE) framework to overcome its shortcomings. Based on the requirements of fidelity (approximate models to target models) and interpretability (being meaningful to people), we design measurements and evaluate a range of matrix factorization methods with our framework. We find that non-negative concept activation vectors (NCAVs) from non-negative matrix factorization provide superior performance in interpretability and fidelity based on computational and human subject experiments. Our framework provides both local and global concept-level explanations for pre-trained CNN models.

Recent zero-shot text-to-speech (TTS) systems face a common dilemma: autoregressive (AR) models suffer from slow generation and lack duration controllability, while non-autoregressive (NAR) models lack temporal modeling and typically require complex designs. In this paper, we introduce a novel pseudo-autoregressive (PAR) codec language modeling approach that unifies AR and NAR modeling. Combining explicit temporal modeling from AR with parallel generation from NAR, PAR generates dynamic-length spans at fixed time steps. Building on PAR, we propose PALLE, a two-stage TTS system that leverages PAR for initial generation followed by NAR refinement. In the first stage, PAR progressively generates speech tokens along the time dimension, with each step predicting all positions in parallel but only retaining the left-most span. In the second stage, low-confidence tokens are iteratively refined in parallel, leveraging the global contextual information. Experiments demonstrate that PALLE, trained on LibriTTS, outperforms state-of-the-art systems trained on large-scale data, including F5-TTS, E2-TTS, and MaskGCT, on the LibriSpeech test-clean set in terms of speech quality, speaker similarity, and intelligibility, while achieving up to ten times faster inference speed. Audio samples are available at https://anonymous-palle.github.io.

Reconstructing 3D human heads in low-view settings presents technical challenges, mainly due to the pronounced risk of overfitting with limited views and high-frequency signals. To address this, we propose geometry decomposition and adopt a two-stage, coarse-to-fine training strategy, allowing for progressively capturing high-frequency geometric details. We represent 3D human heads using the zero level-set of a combined signed distance field, comprising a smooth template, a non-rigid deformation, and a high-frequency displacement field. The template captures features that are independent of both identity and expression and is co-trained with the deformation network across multiple individuals with sparse and randomly selected views. The displacement field, capturing individual-specific details, undergoes separate training for each person. Our network training does not require 3D supervision or object masks. Experimental results demonstrate the effectiveness and robustness of our geometry decomposition and two-stage training strategy. Our method outperforms existing neural rendering approaches in terms of reconstruction accuracy and novel view synthesis under low-view settings. Moreover, the pre-trained template serves a good initialization for our model when encountering unseen individuals.

The neural semi-Markov Conditional Random Field (semi-CRF) framework has demonstrated promise for event-based piano transcription. In this framework, all events (notes or pedals) are represented as closed time intervals tied to specific event types. The neural semi-CRF approach requires an interval scoring matrix that assigns a score for every candidate interval. However, designing an efficient and expressive architecture for scoring intervals is not trivial. This paper introduces a simple method for scoring intervals using scaled inner product operations that resemble how attention scoring is done in transformers. We show theoretically that, due to the special structure from encoding the non-overlapping intervals, under a mild condition, the inner product operations are expressive enough to represent an ideal scoring matrix that can yield the correct transcription result. We then demonstrate that an encoder-only structured non-hierarchical transformer backbone, operating only on a low-time-resolution feature map, is capable of transcribing piano notes and pedals with high accuracy and time precision. The experiment shows that our approach achieves the new state-of-the-art performance across all subtasks in terms of the F1 measure on the Maestro dataset.

Machine learning (ML) has been increasingly used in a variety of domains, while solving ML programming tasks poses unique challenges because of the fundamentally different nature and construction from general programming tasks, especially for developers who do not have ML backgrounds. Automatic code generation that produces a code snippet from a natural language description can be a promising technique to accelerate ML programming tasks. In recent years, although many deep learning-based neural code generation models have been proposed with high accuracy, the fact that most of them are mainly evaluated on general programming tasks calls into question their effectiveness and usefulness in ML programming tasks. In this paper, we set out to investigate the effectiveness of existing neural code generation models on ML programming tasks. For our analysis, we select six state-of-the-art neural code generation models, and evaluate their performance on four widely used ML libraries, with newly-created 83K pairs of natural-language described ML programming tasks. Our empirical study reveals some good, bad, and missing aspects of neural code generation models on ML tasks, with a few major ones listed below. (Good) Neural code generation models perform significantly better on ML tasks than on non-ML tasks. (Bad) Most of the generated code is semantically incorrect. (Bad) Code generation models cannot significantly improve developers' completion time. (Good) The generated code can help developers write more correct code by providing developers with clues for using correct APIs. (Missing) The observation from our user study reveals the missing aspects of code generation for ML tasks, e.g., decomposing code generation for divide-and-conquer into two tasks: API sequence identification and API usage generation.

Recently, simultaneous translation has gathered a lot of attention since it enables compelling applications such as subtitle translation for a live event or real-time video-call translation. Some of these translation applications allow editing of partial translation giving rise to re-translation approaches. The current re-translation approaches are based on autoregressive sequence generation models (ReTA), which generate tar-get tokens in the (partial) translation sequentially. The multiple re-translations with sequential generation inReTAmodelslead to an increased inference time gap between the incoming source input and the corresponding target output as the source input grows. Besides, due to the large number of inference operations involved, the ReTA models are not favorable for resource-constrained devices. In this work, we propose a faster re-translation system based on a non-autoregressive sequence generation model (FReTNA) to overcome the aforementioned limitations. We evaluate the proposed model on multiple translation tasks and our model reduces the inference times by several orders and achieves a competitive BLEUscore compared to the ReTA and streaming (Wait-k) models.The proposed model reduces the average computation time by a factor of 20 when compared to the ReTA model by incurring a small drop in the translation quality. It also outperforms the streaming-based Wait-k model both in terms of computation time (1.5 times lower) and translation quality.

This paper presents Non-Attentive Tacotron based on the Tacotron 2 text-to-speech model, replacing the attention mechanism with an explicit duration predictor. This improves robustness significantly as measured by unaligned duration ratio and word deletion rate, two metrics introduced in this paper for large-scale robustness evaluation using a pre-trained speech recognition model. With the use of Gaussian upsampling, Non-Attentive Tacotron achieves a 5-scale mean opinion score for naturalness of 4.41, slightly outperforming Tacotron 2. The duration predictor enables both utterance-wide and per-phoneme control of duration at inference time. When accurate target durations are scarce or unavailable in the training data, we propose a method using a fine-grained variational auto-encoder to train the duration predictor in a semi-supervised or unsupervised manner, with results almost as good as supervised training.

Transformer-based models dominate NLP tasks like sentiment analysis, machine translation, and claim verification. However, their massive computational demands and lack of interpretability pose challenges for real-world applications requiring efficiency and transparency. In this work, we explore Graph Neural Networks (GNNs) and Hyperbolic Graph Neural Networks (HGNNs) as lightweight yet effective alternatives for Environmental Claim Detection, reframing it as a graph classification problem. We construct dependency parsing graphs to explicitly model syntactic structures, using simple word embeddings (word2vec) for node features with dependency relations encoded as edge features. Our results demonstrate that these graph-based models achieve comparable or superior performance to state-of-the-art transformers while using 30x fewer parameters. This efficiency highlights the potential of structured, interpretable, and computationally efficient graph-based approaches.

The use of convolutional neural networks (CNNs) has accelerated the progress of handwritten character classification/recognition. Handwritten character recognition (HCR) has found applications in various domains, such as traffic signal detection, language translation, and document information extraction. However, the widespread use of existing HCR technology is yet to be seen as it does not provide reliable character recognition with outstanding accuracy. One of the reasons for unreliable HCR is that existing HCR methods do not take the handwriting styles of non-native writers into account. Hence, further improvement is needed to ensure the reliability and extensive deployment of character recognition technologies for critical tasks. In this work, the classification of English characters written by non-native users is performed by proposing a custom-tailored CNN model. We train this CNN with a new dataset called the handwritten isolated English character (HIEC) dataset. This dataset consists of 16,496 images collected from 260 persons. This paper also includes an ablation study of our CNN by adjusting hyperparameters to identify the best model for the HIEC dataset. The proposed model with five convolutional layers and one hidden layer outperforms state-of-the-art models in terms of character recognition accuracy and achieves an accuracy of 97.04%. Compared with the second-best model, the relative improvement of our model in terms of classification accuracy is 4.38%.

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

Bayesian Neural Networks with Latent Variables (BNN+LVs) capture predictive uncertainty by explicitly modeling model uncertainty (via priors on network weights) and environmental stochasticity (via a latent input noise variable). In this work, we first show that BNN+LV suffers from a serious form of non-identifiability: explanatory power can be transferred between the model parameters and latent variables while fitting the data equally well. We demonstrate that as a result, in the limit of infinite data, the posterior mode over the network weights and latent variables is asymptotically biased away from the ground-truth. Due to this asymptotic bias, traditional inference methods may in practice yield parameters that generalize poorly and misestimate uncertainty. Next, we develop a novel inference procedure that explicitly mitigates the effects of likelihood non-identifiability during training and yields high-quality predictions as well as uncertainty estimates. We demonstrate that our inference method improves upon benchmark methods across a range of synthetic and real data-sets.

Sequential models, such as Recurrent Neural Networks and Neural Ordinary Differential Equations, have long suffered from slow training due to their inherent sequential nature. For many years this bottleneck has persisted, as many thought sequential models could not be parallelized. We challenge this long-held belief with our parallel algorithm that accelerates GPU evaluation of sequential models by up to 3 orders of magnitude faster without compromising output accuracy. The algorithm does not need any special structure in the sequential models' architecture, making it applicable to a wide range of architectures. Using our method, training sequential models can be more than 10 times faster than the common sequential method without any meaningful difference in the training results. Leveraging this accelerated training, we discovered the efficacy of the Gated Recurrent Unit in a long time series classification problem with 17k time samples. By overcoming the training bottleneck, our work serves as the first step to unlock the potential of non-linear sequential models for long sequence problems.

Non-parametric, k-nearest-neighbor algorithms have recently made inroads to assist generative models such as language models and machine translation decoders. We explore whether such non-parametric models can improve machine translation models at the fine-tuning stage by incorporating statistics from the kNN predictions to inform the gradient updates for a baseline translation model. There are multiple methods which could be used to incorporate kNN statistics and we investigate gradient scaling by a gating mechanism, the kNN's ground truth probability, and reinforcement learning. For four standard in-domain machine translation datasets, compared with classic fine-tuning, we report consistent improvements of all of the three methods by as much as 1.45 BLEU and 1.28 BLEU for German-English and English-German translations respectively. Through qualitative analysis, we found particular improvements when it comes to translating grammatical relations or function words, which results in increased fluency of our model.

Lossy image compression aims to represent images in as few bits as possible while maintaining fidelity to the original. Theoretical results indicate that optimizing distortion metrics such as PSNR or MS-SSIM necessarily leads to a discrepancy in the statistics of original images from those of reconstructions, in particular at low bitrates, often manifested by the blurring of the compressed images. Previous work has leveraged adversarial discriminators to improve statistical fidelity. Yet these binary discriminators adopted from generative modeling tasks may not be ideal for image compression. In this paper, we introduce a non-binary discriminator that is conditioned on quantized local image representations obtained via VQ-VAE autoencoders. Our evaluations on the CLIC2020, DIV2K and Kodak datasets show that our discriminator is more effective for jointly optimizing distortion (e.g., PSNR) and statistical fidelity (e.g., FID) than the state-of-the-art HiFiC model. On the CLIC2020 test set, we obtain the same FID as HiFiC with 30-40% fewer bits.

Non-autoregressive (NAR) generation, which is first proposed in neural machine translation (NMT) to speed up inference, has attracted much attention in both machine learning and natural language processing communities. While NAR generation can significantly accelerate inference speed for machine translation, the speedup comes at the cost of sacrificed translation accuracy compared to its counterpart, autoregressive (AR) generation. In recent years, many new models and algorithms have been designed/proposed to bridge the accuracy gap between NAR generation and AR generation. In this paper, we conduct a systematic survey with comparisons and discussions of various non-autoregressive translation (NAT) models from different aspects. Specifically, we categorize the efforts of NAT into several groups, including data manipulation, modeling methods, training criterion, decoding algorithms, and the benefit from pre-trained models. Furthermore, we briefly review other applications of NAR models beyond machine translation, such as grammatical error correction, text summarization, text style transfer, dialogue, semantic parsing, automatic speech recognition, and so on. In addition, we also discuss potential directions for future exploration, including releasing the dependency of KD, reasonable training objectives, pre-training for NAR, and wider applications, etc. We hope this survey can help researchers capture the latest progress in NAR generation, inspire the design of advanced NAR models and algorithms, and enable industry practitioners to choose appropriate solutions for their applications. The web page of this survey is at https://github.com/LitterBrother-Xiao/Overview-of-Non-autoregressive-Applications.

Online social media works as a source of various valuable and actionable information during disasters. These information might be available in multiple languages due to the nature of user generated content. An effective system to automatically identify and categorize these actionable information should be capable to handle multiple languages and under limited supervision. However, existing works mostly focus on English language only with the assumption that sufficient labeled data is available. To overcome these challenges, we propose a multilingual disaster related text classification system which is capable to work under \{mono, cross and multi\} lingual scenarios and under limited supervision. Our end-to-end trainable framework combines the versatility of graph neural networks, by applying over the corpus, with the power of transformer based large language models, over examples, with the help of cross-attention between the two. We evaluate our framework over total nine English, Non-English and monolingual datasets in \{mono, cross and multi\} lingual classification scenarios. Our framework outperforms state-of-the-art models in disaster domain and multilingual BERT baseline in terms of Weighted F_1 score. We also show the generalizability of the proposed model under limited supervision.

Direct neural machine translation (direct NMT) is a type of NMT system that translates text between two non-English languages. Direct NMT systems often face limitations due to the scarcity of parallel data between non-English language pairs. Several approaches have been proposed to address this limitation, such as multilingual NMT and pivot NMT (translation between two languages via English). Task-level Mixture of expert models (Task-level MoE), an inference-efficient variation of Transformer-based models, has shown promising NMT performance for a large number of language pairs. In Task-level MoE, different language groups can use different routing strategies to optimize cross-lingual learning and inference speed. In this work, we examine Task-level MoE's applicability in direct NMT and propose a series of high-performing training and evaluation configurations, through which Task-level MoE-based direct NMT systems outperform bilingual and pivot-based models for a large number of low and high-resource direct pairs, and translation directions. Our Task-level MoE with 16 experts outperforms bilingual NMT, Pivot NMT models for 7 language pairs, while pivot-based models still performed better in 9 pairs and directions.

Hallucinations are a type of output error produced by deep neural networks. While this has been studied in natural language processing, they have not been researched previously in automatic speech recognition. Here, we define hallucinations in ASR as transcriptions generated by a model that are semantically unrelated to the source utterance, yet still fluent and coherent. The similarity of hallucinations to probable natural language outputs of the model creates a danger of deception and impacts the credibility of the system. We show that commonly used metrics, such as word error rates, cannot differentiate between hallucinatory and non-hallucinatory models. To address this, we propose a perturbation-based method for assessing the susceptibility of an automatic speech recognition (ASR) model to hallucination at test time, which does not require access to the training dataset. We demonstrate that this method helps to distinguish between hallucinatory and non-hallucinatory models that have similar baseline word error rates. We further explore the relationship between the types of ASR errors and the types of dataset noise to determine what types of noise are most likely to create hallucinatory outputs. We devise a framework for identifying hallucinations by analysing their semantic connection with the ground truth and their fluency. Finally, we discover how to induce hallucinations with a random noise injection to the utterance.

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

Recent sequential recommendation models rely increasingly on consecutive short-term user-item interaction sequences to model user interests. These approaches have, however, raised concerns about both short- and long-term interests. (1) {\it short-term}: interaction sequences may not result from a monolithic interest, but rather from several intertwined interests, even within a short period of time, resulting in their failures to model skip behaviors; (2) {\it long-term}: interaction sequences are primarily observed sparsely at discrete intervals, other than consecutively over the long run. This renders difficulty in inferring long-term interests, since only discrete interest representations can be derived, without taking into account interest dynamics across sequences. In this study, we address these concerns by learning (1) multi-scale representations of short-term interests; and (2) dynamics-aware representations of long-term interests. To this end, we present an Interest Dynamics modeling framework using generative Neural Processes, coined IDNP, to model user interests from a functional perspective. IDNP learns a global interest function family to define each user's long-term interest as a function instantiation, manifesting interest dynamics through function continuity. Specifically, IDNP first encodes each user's short-term interactions into multi-scale representations, which are then summarized as user context. By combining latent global interest with user context, IDNP then reconstructs long-term user interest functions and predicts interactions at upcoming query timestep. Moreover, IDNP can model such interest functions even when interaction sequences are limited and non-consecutive. Extensive experiments on four real-world datasets demonstrate that our model outperforms state-of-the-arts on various evaluation metrics.

We present a novel family of language model (LM) estimation techniques named Sparse Non-negative Matrix (SNM) estimation. A first set of experiments empirically evaluating it on the One Billion Word Benchmark shows that SNM n-gram LMs perform almost as well as the well-established Kneser-Ney (KN) models. When using skip-gram features the models are able to match the state-of-the-art recurrent neural network (RNN) LMs; combining the two modeling techniques yields the best known result on the benchmark. The computational advantages of SNM over both maximum entropy and RNN LM estimation are probably its main strength, promising an approach that has the same flexibility in combining arbitrary features effectively and yet should scale to very large amounts of data as gracefully as n-gram LMs do.

This paper introduces a novel surrogate modeling framework for aerodynamic applications based on Neural Fields. The proposed approach, MARIO (Modulated Aerodynamic Resolution Invariant Operator), addresses non parametric geometric variability through an efficient shape encoding mechanism and exploits the discretization-invariant nature of Neural Fields. It enables training on significantly downsampled meshes, while maintaining consistent accuracy during full-resolution inference. These properties allow for efficient modeling of diverse flow conditions, while reducing computational cost and memory requirements compared to traditional CFD solvers and existing surrogate methods. The framework is validated on two complementary datasets that reflect industrial constraints. First, the AirfRANS dataset consists in a two-dimensional airfoil benchmark with non-parametric shape variations. Performance evaluation of MARIO on this case demonstrates an order of magnitude improvement in prediction accuracy over existing methods across velocity, pressure, and turbulent viscosity fields, while accurately capturing boundary layer phenomena and aerodynamic coefficients. Second, the NASA Common Research Model features three-dimensional pressure distributions on a full aircraft surface mesh, with parametric control surface deflections. This configuration confirms MARIO's accuracy and scalability. Benchmarking against state-of-the-art methods demonstrates that Neural Field surrogates can provide rapid and accurate aerodynamic predictions under the computational and data limitations characteristic of industrial applications.

Statistical channel models are instrumental to design and evaluate wireless communication systems. In the millimeter wave bands, such models become acutely challenging; they must capture the delay, directions, and path gains, for each link and with high resolution. This paper presents a general modeling methodology based on training generative neural networks from data. The proposed generative model consists of a two-stage structure that first predicts the state of each link (line-of-sight, non-line-of-sight, or outage), and subsequently feeds this state into a conditional variational autoencoder that generates the path losses, delays, and angles of arrival and departure for all its propagation paths. Importantly, minimal prior assumptions are made, enabling the model to capture complex relationships within the data. The methodology is demonstrated for 28GHz air-to-ground channels in an urban environment, with training datasets produced by means of ray tracing.

The Linear Representation Hypothesis (LRH) states that neural networks learn to encode concepts as directions in activation space, and a strong version of the LRH states that models learn only such encodings. In this paper, we present a counterexample to this strong LRH: when trained to repeat an input token sequence, gated recurrent neural networks (RNNs) learn to represent the token at each position with a particular order of magnitude, rather than a direction. These representations have layered features that are impossible to locate in distinct linear subspaces. To show this, we train interventions to predict and manipulate tokens by learning the scaling factor corresponding to each sequence position. These interventions indicate that the smallest RNNs find only this magnitude-based solution, while larger RNNs have linear representations. These findings strongly indicate that interpretability research should not be confined by the LRH.

Pretrained neural language models (LMs) are prone to generating racist, sexist, or otherwise toxic language which hinders their safe deployment. We investigate the extent to which pretrained LMs can be prompted to generate toxic language, and the effectiveness of controllable text generation algorithms at preventing such toxic degeneration. We create and release RealToxicityPrompts, a dataset of 100K naturally occurring, sentence-level prompts derived from a large corpus of English web text, paired with toxicity scores from a widely-used toxicity classifier. Using RealToxicityPrompts, we find that pretrained LMs can degenerate into toxic text even from seemingly innocuous prompts. We empirically assess several controllable generation methods, and find that while data- or compute-intensive methods (e.g., adaptive pretraining on non-toxic data) are more effective at steering away from toxicity than simpler solutions (e.g., banning "bad" words), no current method is failsafe against neural toxic degeneration. To pinpoint the potential cause of such persistent toxic degeneration, we analyze two web text corpora used to pretrain several LMs (including GPT-2; Radford et. al, 2019), and find a significant amount of offensive, factually unreliable, and otherwise toxic content. Our work provides a test bed for evaluating toxic generations by LMs and stresses the need for better data selection processes for pretraining.

This paper presents a neural vocoder based on a denoising diffusion probabilistic model (DDPM) incorporating explicit periodic signals as auxiliary conditioning signals. Recently, DDPM-based neural vocoders have gained prominence as non-autoregressive models that can generate high-quality waveforms. The neural vocoders based on DDPM have the advantage of training with a simple time-domain loss. In practical applications, such as singing voice synthesis, there is a demand for neural vocoders to generate high-fidelity speech waveforms with flexible pitch control. However, conventional DDPM-based neural vocoders struggle to generate speech waveforms under such conditions. Our proposed model aims to accurately capture the periodic structure of speech waveforms by incorporating explicit periodic signals. Experimental results show that our model improves sound quality and provides better pitch control than conventional DDPM-based neural vocoders.

We propose a penalized nonparametric approach to estimating the quantile regression process (QRP) in a nonseparable model using rectifier quadratic unit (ReQU) activated deep neural networks and introduce a novel penalty function to enforce non-crossing of quantile regression curves. We establish the non-asymptotic excess risk bounds for the estimated QRP and derive the mean integrated squared error for the estimated QRP under mild smoothness and regularity conditions. To establish these non-asymptotic risk and estimation error bounds, we also develop a new error bound for approximating C^s smooth functions with s >0 and their derivatives using ReQU activated neural networks. This is a new approximation result for ReQU networks and is of independent interest and may be useful in other problems. Our numerical experiments demonstrate that the proposed method is competitive with or outperforms two existing methods, including methods using reproducing kernels and random forests, for nonparametric quantile regression.

Streaming speech recognition architectures are employed for low-latency, real-time applications. Such architectures are often characterized by their causality. Causal architectures emit tokens at each frame, relying only on current and past signal, while non-causal models are exposed to a window of future frames at each step to increase predictive accuracy. This dichotomy amounts to a trade-off for real-time Automatic Speech Recognition (ASR) system design: profit from the low-latency benefit of strictly-causal architectures while accepting predictive performance limitations, or realize the modeling benefits of future-context models accompanied by their higher latency penalty. In this work, we relax the constraints of this choice and present the Adaptive Non-Causal Attention Transducer (ANCAT). Our architecture is non-causal in the traditional sense, but executes in a low-latency, streaming manner by dynamically choosing when to rely on future context and to what degree within the audio stream. The resulting mechanism, when coupled with our novel regularization algorithms, delivers comparable accuracy to non-causal configurations while improving significantly upon latency, closing the gap with their causal counterparts. We showcase our design experimentally by reporting comparative ASR task results with measures of accuracy and latency on both publicly accessible and production-scale, voice-assistant datasets.

Text to speech (TTS) has been broadly used to synthesize natural and intelligible speech in different scenarios. Deploying TTS in various end devices such as mobile phones or embedded devices requires extremely small memory usage and inference latency. While non-autoregressive TTS models such as FastSpeech have achieved significantly faster inference speed than autoregressive models, their model size and inference latency are still large for the deployment in resource constrained devices. In this paper, we propose LightSpeech, which leverages neural architecture search~(NAS) to automatically design more lightweight and efficient models based on FastSpeech. We first profile the components of current FastSpeech model and carefully design a novel search space containing various lightweight and potentially effective architectures. Then NAS is utilized to automatically discover well performing architectures within the search space. Experiments show that the model discovered by our method achieves 15x model compression ratio and 6.5x inference speedup on CPU with on par voice quality. Audio demos are provided at https://speechresearch.github.io/lightspeech.

We explore story generation: creative systems that can build coherent and fluent passages of text about a topic. We collect a large dataset of 300K human-written stories paired with writing prompts from an online forum. Our dataset enables hierarchical story generation, where the model first generates a premise, and then transforms it into a passage of text. We gain further improvements with a novel form of model fusion that improves the relevance of the story to the prompt, and adding a new gated multi-scale self-attention mechanism to model long-range context. Experiments show large improvements over strong baselines on both automated and human evaluations. Human judges prefer stories generated by our approach to those from a strong non-hierarchical model by a factor of two to one.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

In Online Continual Learning (OCL) a learning system receives a stream of data and sequentially performs prediction and training steps. Important challenges in OCL are concerned with automatic adaptation to the particular non-stationary structure of the data, and with quantification of predictive uncertainty. Motivated by these challenges we introduce a probabilistic Bayesian online learning model by using a (possibly pretrained) neural representation and a state space model over the linear predictor weights. Non-stationarity over the linear predictor weights is modelled using a parameter drift transition density, parametrized by a coefficient that quantifies forgetting. Inference in the model is implemented with efficient Kalman filter recursions which track the posterior distribution over the linear weights, while online SGD updates over the transition dynamics coefficient allows to adapt to the non-stationarity seen in data. While the framework is developed assuming a linear Gaussian model, we also extend it to deal with classification problems and for fine-tuning the deep learning representation. In a set of experiments in multi-class classification using data sets such as CIFAR-100 and CLOC we demonstrate the predictive ability of the model and its flexibility to capture non-stationarity.

Graph Neural Networks have gained huge interest in the past few years. These powerful algorithms expanded deep learning models to non-Euclidean space and were able to achieve state of art performance in various applications including recommender systems and social networks. However, this performance is based on static graph structures assumption which limits the Graph Neural Networks performance when the data varies with time. Spatiotemporal Graph Neural Networks are extension of Graph Neural Networks that takes the time factor into account. Recently, various Spatiotemporal Graph Neural Network algorithms were proposed and achieved superior performance compared to other deep learning algorithms in several time dependent applications. This survey discusses interesting topics related to Spatiotemporal Graph Neural Networks, including algorithms, applications, and open challenges.

Modern neural recording techniques allow neuroscientists to obtain spiking activity of multiple neurons from different brain regions over long time periods, which requires new statistical methods to be developed for understanding structure of the large-scale data. In this paper, we develop a bi-clustering method to cluster the neural spiking activity spatially and temporally, according to their low-dimensional latent structures. The spatial (neuron) clusters are defined by the latent trajectories within each neural population, while the temporal (state) clusters are defined by (populationally) synchronous local linear dynamics shared with different periods. To flexibly extract the bi-clustering structure, we build the model non-parametrically, and develop an efficient Markov chain Monte Carlo (MCMC) algorithm to sample the posterior distributions of model parameters. Validating our proposed MCMC algorithm through simulations, we find the method can recover unknown parameters and true bi-clustering structures successfully. We then apply the proposed bi-clustering method to multi-regional neural recordings under different experiment settings, where we find that simultaneously considering latent trajectories and spatial-temporal clustering structures can provide us with a more accurate and interpretable result. Overall, the proposed method provides scientific insights for large-scale (counting) time series with elongated recording periods, and it can potentially have application beyond neuroscience.

We present Semantify: a self-supervised method that utilizes the semantic power of CLIP language-vision foundation model to simplify the control of 3D morphable models. Given a parametric model, training data is created by randomly sampling the model's parameters, creating various shapes and rendering them. The similarity between the output images and a set of word descriptors is calculated in CLIP's latent space. Our key idea is first to choose a small set of semantically meaningful and disentangled descriptors that characterize the 3DMM, and then learn a non-linear mapping from scores across this set to the parametric coefficients of the given 3DMM. The non-linear mapping is defined by training a neural network without a human-in-the-loop. We present results on numerous 3DMMs: body shape models, face shape and expression models, as well as animal shapes. We demonstrate how our method defines a simple slider interface for intuitive modeling, and show how the mapping can be used to instantly fit a 3D parametric body shape to in-the-wild images.

Spiking Neural Networks (SNNs) are promising energy-efficient models for neuromorphic computing. For training the non-differentiable SNN models, the backpropagation through time (BPTT) with surrogate gradients (SG) method has achieved high performance. However, this method suffers from considerable memory cost and training time during training. In this paper, we propose the Spatial Learning Through Time (SLTT) method that can achieve high performance while greatly improving training efficiency compared with BPTT. First, we show that the backpropagation of SNNs through the temporal domain contributes just a little to the final calculated gradients. Thus, we propose to ignore the unimportant routes in the computational graph during backpropagation. The proposed method reduces the number of scalar multiplications and achieves a small memory occupation that is independent of the total time steps. Furthermore, we propose a variant of SLTT, called SLTT-K, that allows backpropagation only at K time steps, then the required number of scalar multiplications is further reduced and is independent of the total time steps. Experiments on both static and neuromorphic datasets demonstrate superior training efficiency and performance of our SLTT. In particular, our method achieves state-of-the-art accuracy on ImageNet, while the memory cost and training time are reduced by more than 70% and 50%, respectively, compared with BPTT.

Recent studies of gradient descent with large step sizes have shown that there is often a regime with an initial increase in the largest eigenvalue of the loss Hessian (progressive sharpening), followed by a stabilization of the eigenvalue near the maximum value which allows convergence (edge of stability). These phenomena are intrinsically non-linear and do not happen for models in the constant Neural Tangent Kernel (NTK) regime, for which the predictive function is approximately linear in the parameters. As such, we consider the next simplest class of predictive models, namely those that are quadratic in the parameters, which we call second-order regression models. For quadratic objectives in two dimensions, we prove that this second-order regression model exhibits progressive sharpening of the NTK eigenvalue towards a value that differs slightly from the edge of stability, which we explicitly compute. In higher dimensions, the model generically shows similar behavior, even without the specific structure of a neural network, suggesting that progressive sharpening and edge-of-stability behavior aren't unique features of neural networks, and could be a more general property of discrete learning algorithms in high-dimensional non-linear models.

High-quality calibrated uncertainty estimates are crucial for numerous real-world applications, especially for deep learning-based deployed ML systems. While Bayesian deep learning techniques allow uncertainty estimation, training them with large-scale datasets is an expensive process that does not always yield models competitive with non-Bayesian counterparts. Moreover, many of the high-performing deep learning models that are already trained and deployed are non-Bayesian in nature and do not provide uncertainty estimates. To address these issues, we propose BayesCap that learns a Bayesian identity mapping for the frozen model, allowing uncertainty estimation. BayesCap is a memory-efficient method that can be trained on a small fraction of the original dataset, enhancing pretrained non-Bayesian computer vision models by providing calibrated uncertainty estimates for the predictions without (i) hampering the performance of the model and (ii) the need for expensive retraining the model from scratch. The proposed method is agnostic to various architectures and tasks. We show the efficacy of our method on a wide variety of tasks with a diverse set of architectures, including image super-resolution, deblurring, inpainting, and crucial application such as medical image translation. Moreover, we apply the derived uncertainty estimates to detect out-of-distribution samples in critical scenarios like depth estimation in autonomous driving. Code is available at https://github.com/ExplainableML/BayesCap.

This study examines the integration of Contrastive Predictive Coding (CPC) with Spiking Neural Networks (SNN). While CPC learns the predictive structure of data to generate meaningful representations, SNN mimics the computational processes of biological neural systems over time. In this study, the goal is to develop a predictive coding model with greater biological plausibility by processing inputs and outputs in a spike-based system. The proposed model was tested on the MNIST dataset and achieved a high classification rate in distinguishing positive sequential samples from non-sequential negative samples. The study demonstrates that CPC can be effectively combined with SNN, showing that an SNN trained for classification tasks can also function as an encoding mechanism. Project codes and detailed results can be accessed on our GitHub page: https://github.com/vnd-ogrenme/ongorusel-kodlama/tree/main/CPC_SNN

Volatility forecasting is essential for risk management and decision-making in financial markets. Traditional models like Generalized Autoregressive Conditional Heteroskedasticity (GARCH) effectively capture volatility clustering but often fail to model complex, non-linear interdependencies between multiple indices. This paper proposes a novel approach using Graph Neural Networks (GNNs) to represent global financial markets as dynamic graphs. The Temporal Graph Attention Network (Temporal GAT) combines Graph Convolutional Networks (GCNs) and Graph Attention Networks (GATs) to capture the temporal and structural dynamics of volatility spillovers. By utilizing correlation-based and volatility spillover indices, the Temporal GAT constructs directed graphs that enhance the accuracy of volatility predictions. Empirical results from a 15-year study of eight major global indices show that the Temporal GAT outperforms traditional GARCH models and other machine learning methods, particularly in short- to mid-term forecasts. The sensitivity and scenario-based analysis over a range of parameters and hyperparameters further demonstrate the significance of the proposed technique. Hence, this work highlights the potential of GNNs in modeling complex market behaviors, providing valuable insights for financial analysts and investors.

We present Neural Microfacet Fields, a method for recovering materials, geometry, and environment illumination from images of a scene. Our method uses a microfacet reflectance model within a volumetric setting by treating each sample along the ray as a (potentially non-opaque) surface. Using surface-based Monte Carlo rendering in a volumetric setting enables our method to perform inverse rendering efficiently by combining decades of research in surface-based light transport with recent advances in volume rendering for view synthesis. Our approach outperforms prior work in inverse rendering, capturing high fidelity geometry and high frequency illumination details; its novel view synthesis results are on par with state-of-the-art methods that do not recover illumination or materials.

Despite remarkable progress achieved, most neural architecture search (NAS) methods focus on searching for one single accurate and robust architecture. To further build models with better generalization capability and performance, model ensemble is usually adopted and performs better than stand-alone models. Inspired by the merits of model ensemble, we propose to search for multiple diverse models simultaneously as an alternative way to find powerful models. Searching for ensembles is non-trivial and has two key challenges: enlarged search space and potentially more complexity for the searched model. In this paper, we propose a one-shot neural ensemble architecture search (NEAS) solution that addresses the two challenges. For the first challenge, we introduce a novel diversity-based metric to guide search space shrinking, considering both the potentiality and diversity of candidate operators. For the second challenge, we enable a new search dimension to learn layer sharing among different models for efficiency purposes. The experiments on ImageNet clearly demonstrate that our solution can improve the supernet's capacity of ranking ensemble architectures, and further lead to better search results. The discovered architectures achieve superior performance compared with state-of-the-arts such as MobileNetV3 and EfficientNet families under aligned settings. Moreover, we evaluate the generalization ability and robustness of our searched architecture on the COCO detection benchmark and achieve a 3.1% improvement on AP compared with MobileNetV3. Codes and models are available at https://github.com/researchmm/NEAS.

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form highly enmeshed clusters via spectral graph clustering. We thus train models to be more modular using a "clusterability loss" function that encourages the formation of non-interacting clusters. Using automated interpretability techniques, we show that our method can help train models that are more modular and learn different, disjoint, and smaller circuits. We investigate CNNs trained on MNIST and CIFAR, small transformers trained on modular addition, and language models. Our approach provides a promising direction for training neural networks that learn simpler functions and are easier to interpret.

A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Latent Gaussian process (GP) models are widely used in neuroscience to uncover hidden state evolutions from sequential observations, mainly in neural activity recordings. While latent GP models provide a principled and powerful solution in theory, the intractable posterior in non-conjugate settings necessitates approximate inference schemes, which may lack scalability. In this work, we propose cvHM, a general inference framework for latent GP models leveraging Hida-Mat\'ern kernels and conjugate computation variational inference (CVI). With cvHM, we are able to perform variational inference of latent neural trajectories with linear time complexity for arbitrary likelihoods. The reparameterization of stationary kernels using Hida-Mat\'ern GPs helps us connect the latent variable models that encode prior assumptions through dynamical systems to those that encode trajectory assumptions through GPs. In contrast to previous work, we use bidirectional information filtering, leading to a more concise implementation. Furthermore, we employ the Whittle approximate likelihood to achieve highly efficient hyperparameter learning.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

Language modeling (LM) for automatic speech recognition (ASR) does not usually incorporate utterance level contextual information. For some domains like voice assistants, however, additional context, such as the time at which an utterance was spoken, provides a rich input signal. We introduce an attention mechanism for training neural speech recognition language models on both text and non-linguistic contextual data. When applied to a large de-identified dataset of utterances collected by a popular voice assistant platform, our method reduces perplexity by 7.0% relative over a standard LM that does not incorporate contextual information. When evaluated on utterances extracted from the long tail of the dataset, our method improves perplexity by 9.0% relative over a standard LM and by over 2.8% relative when compared to a state-of-the-art model for contextual LM.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in graphs such as large conjugated molecules, and social networks due to oversmoothing and oversquashing. Although Spectral GNNs and traditional neural networks such as recurrent neural networks and transformers mitigate these challenges, they often lack generalizability, or fail to capture detailed structural relationships or symmetries in the data. To address these concerns, we introduce Matrix Function Neural Networks (MFNs), a novel architecture that parameterizes non-local interactions through analytic matrix equivariant functions. Employing resolvent expansions offers a straightforward implementation and the potential for linear scaling with system size. The MFN architecture achieves stateof-the-art performance in standard graph benchmarks, such as the ZINC and TU datasets, and is able to capture intricate non-local interactions in quantum systems, paving the way to new state-of-the-art force fields.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are commonly extracted from raw data which is of text or tabular (numeric/categorical) type in most real-world applications. The best models for such data types in most standard supervised learning settings with IID (non-graph) data are not simple neural network layers and thus are not easily incorporated into a GNN. Here we propose a robust stacking framework that fuses graph-aware propagation with arbitrary models intended for IID data, which are ensembled and stacked in multiple layers. Our layer-wise framework leverages bagging and stacking strategies to enjoy strong generalization, in a manner which effectively mitigates label leakage and overfitting. Across a variety of graph datasets with tabular/text node features, our method achieves comparable or superior performance relative to both tabular/text and graph neural network models, as well as existing state-of-the-art hybrid strategies that combine the two.

Deep Neural Networks lead the state of the art of computer vision tasks. Despite this, Neural Networks are brittle in that small changes in the input can drastically affect their prediction outcome and confidence. Consequently and naturally, research in this area mainly focus on adversarial attacks and defenses. In this paper, we take an alternative stance and introduce the concept of Assistive Signals, which are optimized to improve a model's confidence score regardless if it's under attack or not. We analyse some interesting properties of these assistive perturbations and extend the idea to optimize assistive signals in the 3D space for real-life scenarios simulating different lighting conditions and viewing angles. Experimental evaluations show that the assistive signals generated by our optimization method increase the accuracy and confidence of deep models more than those generated by conventional methods that work in the 2D space. In addition, our Assistive Signals illustrate the intrinsic bias of ML models towards certain patterns in real-life objects. We discuss how we can exploit these insights to re-think, or avoid, some patterns that might contribute to, or degrade, the detectability of objects in the real-world.

Federated learning and gossip learning are emerging methodologies designed to mitigate data privacy concerns by retaining training data on client devices and exclusively sharing locally-trained machine learning (ML) models with others. The primary distinction between the two lies in their approach to model aggregation: federated learning employs a centralized parameter server, whereas gossip learning adopts a fully decentralized mechanism, enabling direct model exchanges among nodes. This decentralized nature often positions gossip learning as less efficient compared to federated learning. Both methodologies involve a critical step: computing a representation of received ML models and integrating this representation into the existing model. Conventionally, this representation is derived by averaging the received models, exemplified by the FedAVG algorithm. Our findings suggest that this averaging approach inherently introduces a potential delay in model convergence. We identify the underlying cause and refer to it as the "vanishing variance" problem, where averaging across uncorrelated ML models undermines the optimal variance established by the Xavier weight initialization. Unlike federated learning where the central server ensures model correlation, and unlike traditional gossip learning which circumvents this problem through model partitioning and sampling, our research introduces a variance-corrected model averaging algorithm. This novel algorithm preserves the optimal variance needed during model averaging, irrespective of network topology or non-IID data distributions. Our extensive simulation results demonstrate that our approach enables gossip learning to achieve convergence efficiency comparable to that of federated learning.

In this paper we introduce a novel, unified, open-source model interpretability library for PyTorch [12]. The library contains generic implementations of a number of gradient and perturbation-based attribution algorithms, also known as feature, neuron and layer importance algorithms, as well as a set of evaluation metrics for these algorithms. It can be used for both classification and non-classification models including graph-structured models built on Neural Networks (NN). In this paper we give a high-level overview of supported attribution algorithms and show how to perform memory-efficient and scalable computations. We emphasize that the three main characteristics of the library are multimodality, extensibility and ease of use. Multimodality supports different modality of inputs such as image, text, audio or video. Extensibility allows adding new algorithms and features. The library is also designed for easy understanding and use. Besides, we also introduce an interactive visualization tool called Captum Insights that is built on top of Captum library and allows sample-based model debugging and visualization using feature importance metrics.

The ability to remove features from the input of machine learning models is very important to understand and interpret model predictions. However, this is non-trivial for vision models since masking out parts of the input image typically causes large distribution shifts. This is because the baseline color used for masking (typically grey or black) is out of distribution. Furthermore, the shape of the mask itself can contain unwanted signals which can be used by the model for its predictions. Recently, there has been some progress in mitigating this issue (called missingness bias) in image masking for vision transformers. In this work, we propose a new masking method for CNNs we call layer masking in which the missingness bias caused by masking is reduced to a large extent. Intuitively, layer masking applies a mask to intermediate activation maps so that the model only processes the unmasked input. We show that our method (i) is able to eliminate or minimize the influence of the mask shape or color on the output of the model, and (ii) is much better than replacing the masked region by black or grey for input perturbation based interpretability techniques like LIME. Thus, layer masking is much less affected by missingness bias than other masking strategies. We also demonstrate how the shape of the mask may leak information about the class, thus affecting estimates of model reliance on class-relevant features derived from input masking. Furthermore, we discuss the role of data augmentation techniques for tackling this problem, and argue that they are not sufficient for preventing model reliance on mask shape. The code for this project is publicly available at https://github.com/SriramB-98/layer_masking

Understanding how deep learning models predict oncology patient risk can provide critical insights into disease progression, support clinical decision-making, and pave the way for trustworthy and data-driven precision medicine. Building on recent advances in the spatial modeling of the tumor microenvironment using graph neural networks, we present an explainable cell graph (xCG) approach for survival prediction. We validate our model on a public cohort of imaging mass cytometry (IMC) data for 416 cases of lung adenocarcinoma. We explain survival predictions in terms of known phenotypes on the cell level by computing risk attributions over cell graphs, for which we propose an efficient grid-based layer-wise relevance propagation (LRP) method. Our ablation studies highlight the importance of incorporating the cancer stage and model ensembling to improve the quality of risk estimates. Our xCG method, together with the IMC data, is made publicly available to support further research.

Markov jump processes are continuous-time stochastic processes with a wide range of applications in both natural and social sciences. Despite their widespread use, inference in these models is highly non-trivial and typically proceeds via either Monte Carlo or expectation-maximization methods. In this work we introduce an alternative, variational inference algorithm for Markov jump processes which relies on neural ordinary differential equations, and is trainable via back-propagation. Our methodology learns neural, continuous-time representations of the observed data, that are used to approximate the initial distribution and time-dependent transition probability rates of the posterior Markov jump process. The time-independent rates of the prior process are in contrast trained akin to generative adversarial networks. We test our approach on synthetic data sampled from ground-truth Markov jump processes, experimental switching ion channel data and molecular dynamics simulations. Source code to reproduce our experiments is available online.

NeRF-based techniques fit wide and deep multi-layer perceptrons (MLPs) to a continuous radiance field that can be rendered from any unseen viewpoint. However, the lack of surface and normals definition and high rendering times limit their usage in typical computer graphics applications. Such limitations have recently been overcome separately, but solving them together remains an open problem. We present KiloNeuS, a neural representation reconstructing an implicit surface represented as a signed distance function (SDF) from multi-view images and enabling real-time rendering by partitioning the space into thousands of tiny MLPs fast to inference. As we learn the implicit surface locally using independent models, resulting in a globally coherent geometry is non-trivial and needs to be addressed during training. We evaluate rendering performance on a GPU-accelerated ray-caster with in-shader neural network inference, resulting in an average of 46 FPS at high resolution, proving a satisfying tradeoff between storage costs and rendering quality. In fact, our evaluation for rendering quality and surface recovery shows that KiloNeuS outperforms its single-MLP counterpart. Finally, to exhibit the versatility of KiloNeuS, we integrate it into an interactive path-tracer taking full advantage of its surface normals. We consider our work a crucial first step toward real-time rendering of implicit neural representations under global illumination.

Most neural vocoders employ band-limited mel-spectrograms to generate waveforms. If full-band spectral features are used as the input, the vocoder can be provided with as much acoustic information as possible. However, in some models employing full-band mel-spectrograms, an over-smoothing problem occurs as part of which non-sharp spectrograms are generated. To address this problem, we propose UnivNet, a neural vocoder that synthesizes high-fidelity waveforms in real time. Inspired by works in the field of voice activity detection, we added a multi-resolution spectrogram discriminator that employs multiple linear spectrogram magnitudes computed using various parameter sets. Using full-band mel-spectrograms as input, we expect to generate high-resolution signals by adding a discriminator that employs spectrograms of multiple resolutions as the input. In an evaluation on a dataset containing information on hundreds of speakers, UnivNet obtained the best objective and subjective results among competing models for both seen and unseen speakers. These results, including the best subjective score for text-to-speech, demonstrate the potential for fast adaptation to new speakers without a need for training from scratch.

Artificial writing is permeating our lives due to recent advances in large-scale, transformer-based language models (LMs) such as BERT, its variants, GPT-2/3, and others. Using them as pre-trained models and fine-tuning them for specific tasks, researchers have extended state of the art for many NLP tasks and shown that they capture not only linguistic knowledge but also retain general knowledge implicitly present in the data. Unfortunately, LMs trained on unfiltered text corpora suffer from degenerated and biased behaviour. While this is well established, we show that recent LMs also contain human-like biases of what is right and wrong to do, some form of ethical and moral norms of the society -- they bring a "moral direction" to surface. That is, we show that these norms can be captured geometrically by a direction, which can be computed, e.g., by a PCA, in the embedding space, reflecting well the agreement of phrases to social norms implicitly expressed in the training texts and providing a path for attenuating or even preventing toxic degeneration in LMs. Being able to rate the (non-)normativity of arbitrary phrases without explicitly training the LM for this task, we demonstrate the capabilities of the "moral direction" for guiding (even other) LMs towards producing normative text and showcase it on RealToxicityPrompts testbed, preventing the neural toxic degeneration in GPT-2.

Almost all existing machine translation models are built on top of character-based vocabularies: characters, subwords or words. Rare characters from noisy text or character-rich languages such as Japanese and Chinese however can unnecessarily take up vocabulary slots and limit its compactness. Representing text at the level of bytes and using the 256 byte set as vocabulary is a potential solution to this issue. High computational cost has however prevented it from being widely deployed or used in practice. In this paper, we investigate byte-level subwords, specifically byte-level BPE (BBPE), which is compacter than character vocabulary and has no out-of-vocabulary tokens, but is more efficient than using pure bytes only is. We claim that contextualizing BBPE embeddings is necessary, which can be implemented by a convolutional or recurrent layer. Our experiments show that BBPE has comparable performance to BPE while its size is only 1/8 of that for BPE. In the multilingual setting, BBPE maximizes vocabulary sharing across many languages and achieves better translation quality. Moreover, we show that BBPE enables transferring models between languages with non-overlapping character sets.

This article addresses the challenge of modeling the amplitude of spatially indexed low frequency fluctuations (ALFF) in resting state functional MRI as a function of cortical structural features and a multi-task coactivation network in the Adolescent Brain Cognitive Development (ABCD) Study. It proposes a generative model that integrates effects of spatially-varying inputs and a network-valued input using deep neural networks to capture complex non-linear and spatial associations with the output. The method models spatial smoothness, accounts for subject heterogeneity and complex associations between network and spatial images at different scales, enables accurate inference of each images effect on the output image, and allows prediction with uncertainty quantification via Monte Carlo dropout, contributing to one of the first Explainable AI (XAI) frameworks for heterogeneous imaging data. The model is highly scalable to high-resolution data without the heavy pre-processing or summarization often required by Bayesian methods. Empirical results demonstrate its strong performance compared to existing statistical and deep learning methods. We applied the XAI model to the ABCD data which revealed associations between cortical features and ALFF throughout the entire brain. Our model performed comparably to existing methods in predictive accuracy but provided superior uncertainty quantification and faster computation, demonstrating its effectiveness for large-scale neuroimaging analysis. Open-source software in Python for XAI is available.

A digital twin is a virtual replica of a real-world physical phenomena that uses mathematical modeling to characterize and simulate its defining features. By constructing digital twins for disease processes, we can perform in-silico simulations that mimic patients' health conditions and counterfactual outcomes under hypothetical interventions in a virtual setting. This eliminates the need for invasive procedures or uncertain treatment decisions. In this paper, we propose a method to identify digital twin model parameters using only noninvasive patient health data. We approach the digital twin modeling as a composite inverse problem, and observe that its structure resembles pretraining and finetuning in self-supervised learning (SSL). Leveraging this, we introduce a physics-informed SSL algorithm that initially pretrains a neural network on the pretext task of solving the physical model equations. Subsequently, the model is trained to reconstruct low-dimensional health measurements from noninvasive modalities while being constrained by the physical equations learned in pretraining. We apply our method to identify digital twins of cardiac hemodynamics using noninvasive echocardiogram videos, and demonstrate its utility in unsupervised disease detection and in-silico clinical trials.

Supervised contrastive loss (SCL) is a competitive and often superior alternative to the cross-entropy loss for classification. While prior studies have demonstrated that both losses yield symmetric training representations under balanced data, this symmetry breaks under class imbalances. This paper presents an intriguing discovery: the introduction of a ReLU activation at the final layer effectively restores the symmetry in SCL-learned representations. We arrive at this finding analytically, by establishing that the global minimizers of an unconstrained features model with SCL loss and entry-wise non-negativity constraints form an orthogonal frame. Extensive experiments conducted across various datasets, architectures, and imbalance scenarios corroborate our finding. Importantly, our experiments reveal that the inclusion of the ReLU activation restores symmetry without compromising test accuracy. This constitutes the first geometry characterization of SCL under imbalances. Additionally, our analysis and experiments underscore the pivotal role of batch selection strategies in representation geometry. By proving necessary and sufficient conditions for mini-batch choices that ensure invariant symmetric representations, we introduce batch-binding as an efficient strategy that guarantees these conditions hold.

The goal of data attribution is to trace model predictions back to training data. Despite a long line of work towards this goal, existing approaches to data attribution tend to force users to choose between computational tractability and efficacy. That is, computationally tractable methods can struggle with accurately attributing model predictions in non-convex settings (e.g., in the context of deep neural networks), while methods that are effective in such regimes require training thousands of models, which makes them impractical for large models or datasets. In this work, we introduce TRAK (Tracing with the Randomly-projected After Kernel), a data attribution method that is both effective and computationally tractable for large-scale, differentiable models. In particular, by leveraging only a handful of trained models, TRAK can match the performance of attribution methods that require training thousands of models. We demonstrate the utility of TRAK across various modalities and scales: image classifiers trained on ImageNet, vision-language models (CLIP), and language models (BERT and mT5). We provide code for using TRAK (and reproducing our work) at https://github.com/MadryLab/trak .

Visual text evokes an image in a person's mind, while non-visual text fails to do so. A method to automatically detect visualness in text will unlock the ability to augment text with relevant images, as neural text-to-image generation and retrieval models operate on the implicit assumption that the input text is visual in nature. We curate a dataset of 3,620 English sentences and their visualness scores provided by multiple human annotators. Additionally, we use documents that contain text and visual assets to create a distantly supervised corpus of document text and associated images. We also propose a fine-tuning strategy that adapts large vision-language models like CLIP that assume a one-to-one correspondence between text and image to the task of scoring text visualness from text input alone. Our strategy involves modifying the model's contrastive learning objective to map text identified as non-visual to a common NULL image while matching visual text to their corresponding images in the document. We evaluate the proposed approach on its ability to (i) classify visual and non-visual text accurately, and (ii) attend over words that are identified as visual in psycholinguistic studies. Empirical evaluation indicates that our approach performs better than several heuristics and baseline models for the proposed task. Furthermore, to highlight the importance of modeling the visualness of text, we conduct qualitative analyses of text-to-image generation systems like DALL-E.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

Combining different models is a widely used paradigm in machine learning applications. While the most common approach is to form an ensemble of models and average their individual predictions, this approach is often rendered infeasible by given resource constraints in terms of memory and computation, which grow linearly with the number of models. We present a layer-wise model fusion algorithm for neural networks that utilizes optimal transport to (soft-) align neurons across the models before averaging their associated parameters. We show that this can successfully yield "one-shot" knowledge transfer (i.e, without requiring any retraining) between neural networks trained on heterogeneous non-i.i.d. data. In both i.i.d. and non-i.i.d. settings , we illustrate that our approach significantly outperforms vanilla averaging, as well as how it can serve as an efficient replacement for the ensemble with moderate fine-tuning, for standard convolutional networks (like VGG11), residual networks (like ResNet18), and multi-layer perceptrons on CIFAR10, CIFAR100, and MNIST. Finally, our approach also provides a principled way to combine the parameters of neural networks with different widths, and we explore its application for model compression. The code is available at the following link, https://github.com/sidak/otfusion.

Diagnosing deep neural networks (DNNs) through the eigenspectrum of weight matrices has been an active area of research in recent years. At a high level, eigenspectrum analysis of DNNs involves measuring the heavytailness of the empirical spectral densities (ESD) of weight matrices. It provides insight into how well a model is trained and can guide decisions on assigning better layer-wise training hyperparameters. In this paper, we address a challenge associated with such eigenspectrum methods: the impact of the aspect ratio of weight matrices on estimated heavytailness metrics. We demonstrate that matrices of varying sizes (and aspect ratios) introduce a non-negligible bias in estimating heavytailness metrics, leading to inaccurate model diagnosis and layer-wise hyperparameter assignment. To overcome this challenge, we propose FARMS (Fixed-Aspect-Ratio Matrix Subsampling), a method that normalizes the weight matrices by subsampling submatrices with a fixed aspect ratio. Instead of measuring the heavytailness of the original ESD, we measure the average ESD of these subsampled submatrices. We show that measuring the heavytailness of these submatrices with the fixed aspect ratio can effectively mitigate the aspect ratio bias. We validate our approach across various optimization techniques and application domains that involve eigenspectrum analysis of weights, including image classification in computer vision (CV) models, scientific machine learning (SciML) model training, and large language model (LLM) pruning. Our results show that despite its simplicity, FARMS uniformly improves the accuracy of eigenspectrum analysis while enabling more effective layer-wise hyperparameter assignment in these application domains. In one of the LLM pruning experiments, FARMS reduces the perplexity of the LLaMA-7B model by 17.3% when compared with the state-of-the-art method.

Large scale deep learning model, such as modern language models and diffusion architectures, have revolutionized applications ranging from natural language processing to computer vision. However, their deployment in distributed or decentralized environments raises significant privacy concerns, as sensitive data may be exposed during inference. Traditional techniques like secure multi-party computation, homomorphic encryption, and differential privacy offer partial remedies but often incur substantial computational overhead, latency penalties, or limited compatibility with non-linear network operations. In this work, we introduce Equivariant Encryption (EE), a novel paradigm designed to enable secure, "blind" inference on encrypted data with near zero performance overhead. Unlike fully homomorphic approaches that encrypt the entire computational graph, EE selectively obfuscates critical internal representations within neural network layers while preserving the exact functionality of both linear and a prescribed set of non-linear operations. This targeted encryption ensures that raw inputs, intermediate activations, and outputs remain confidential, even when processed on untrusted infrastructure. We detail the theoretical foundations of EE, compare its performance and integration complexity against conventional privacy preserving techniques, and demonstrate its applicability across a range of architectures, from convolutional networks to large language models. Furthermore, our work provides a comprehensive threat analysis, outlining potential attack vectors and baseline strategies, and benchmarks EE against standard inference pipelines in decentralized settings. The results confirm that EE maintains high fidelity and throughput, effectively bridging the gap between robust data confidentiality and the stringent efficiency requirements of modern, large scale model inference.

Self-supervised learning (SSL) speech models such as wav2vec and HuBERT have demonstrated state-of-the-art performance on automatic speech recognition (ASR) and proved to be extremely useful in low label-resource settings. However, the success of SSL models has yet to transfer to utterance-level tasks such as speaker, emotion, and language recognition, which still require supervised fine-tuning of the SSL models to obtain good performance. We argue that the problem is caused by the lack of disentangled representations and an utterance-level learning objective for these tasks. Inspired by how HuBERT uses clustering to discover hidden acoustic units, we formulate a factor analysis (FA) model that uses the discovered hidden acoustic units to align the SSL features. The underlying utterance-level representations are disentangled from the content of speech using probabilistic inference on the aligned features. Furthermore, the variational lower bound derived from the FA model provides an utterance-level objective, allowing error gradients to be backpropagated to the Transformer layers to learn highly discriminative acoustic units. When used in conjunction with HuBERT's masked prediction training, our models outperform the current best model, WavLM, on all utterance-level non-semantic tasks on the SUPERB benchmark with only 20% of labeled data.

Sparse training is emerging as a promising avenue for reducing the computational cost of training neural networks. Several recent studies have proposed pruning methods using learnable thresholds to efficiently explore the non-uniform distribution of sparsity inherent within the models. In this paper, we propose Gradient Annealing (GA), where gradients of masked weights are scaled down in a non-linear manner. GA provides an elegant trade-off between sparsity and accuracy without the need for additional sparsity-inducing regularization. We integrated GA with the latest learnable pruning methods to create an automated sparse training algorithm called AutoSparse, which achieves better accuracy and/or training/inference FLOPS reduction than existing learnable pruning methods for sparse ResNet50 and MobileNetV1 on ImageNet-1K: AutoSparse achieves (2x, 7x) reduction in (training,inference) FLOPS for ResNet50 on ImageNet at 80% sparsity. Finally, AutoSparse outperforms sparse-to-sparse SotA method MEST (uniform sparsity) for 80% sparse ResNet50 with similar accuracy, where MEST uses 12% more training FLOPS and 50% more inference FLOPS.

In this paper, we propose REASON, a novel framework that enables the automatic discovery of both intra-level (i.e., within-network) and inter-level (i.e., across-network) causal relationships for root cause localization. REASON consists of Topological Causal Discovery and Individual Causal Discovery. The Topological Causal Discovery component aims to model the fault propagation in order to trace back to the root causes. To achieve this, we propose novel hierarchical graph neural networks to construct interdependent causal networks by modeling both intra-level and inter-level non-linear causal relations. Based on the learned interdependent causal networks, we then leverage random walks with restarts to model the network propagation of a system fault. The Individual Causal Discovery component focuses on capturing abrupt change patterns of a single system entity. This component examines the temporal patterns of each entity's metric data (i.e., time series), and estimates its likelihood of being a root cause based on the Extreme Value theory. Combining the topological and individual causal scores, the top K system entities are identified as root causes. Extensive experiments on three real-world datasets with case studies demonstrate the effectiveness and superiority of the proposed framework.

Machine learning approaches for solving partial differential equations require learning mappings between function spaces. While convolutional or graph neural networks are constrained to discretized functions, neural operators present a promising milestone toward mapping functions directly. Despite impressive results they still face challenges with respect to the domain geometry and typically rely on some form of discretization. In order to alleviate such limitations, we present CORAL, a new method that leverages coordinate-based networks for solving PDEs on general geometries. CORAL is designed to remove constraints on the input mesh, making it applicable to any spatial sampling and geometry. Its ability extends to diverse problem domains, including PDE solving, spatio-temporal forecasting, and inverse problems like geometric design. CORAL demonstrates robust performance across multiple resolutions and performs well in both convex and non-convex domains, surpassing or performing on par with state-of-the-art models.

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and inverse design, ML-based surrogate models are increasingly used to augment or replace inefficient and often non-differentiable numerical simulation algorithms. While a number of ML-based methods for approximating the solutions of PDEs have been proposed in recent years, they typically do not adapt to the parameters of the PDEs, making it difficult to generalize to PDE parameters not seen during training. We propose a Channel Attention mechanism guided by PDE Parameter Embeddings (CAPE) component for neural surrogate models and a simple yet effective curriculum learning strategy. The CAPE module can be combined with neural PDE solvers allowing them to adapt to unseen PDE parameters. The curriculum learning strategy provides a seamless transition between teacher-forcing and fully auto-regressive training. We compare CAPE in conjunction with the curriculum learning strategy using a popular PDE benchmark and obtain consistent and significant improvements over the baseline models. The experiments also show several advantages of CAPE, such as its increased ability to generalize to unseen PDE parameters without large increases inference time and parameter count.

Recent advances in implicit neural representation have demonstrated the ability to recover detailed geometry and material from multi-view images. However, the use of simplified lighting models such as environment maps to represent non-distant illumination, or using a network to fit indirect light modeling without a solid basis, can lead to an undesirable decomposition between lighting and material. To address this, we propose a fully differentiable framework named neural ambient illumination (NeAI) that uses Neural Radiance Fields (NeRF) as a lighting model to handle complex lighting in a physically based way. Together with integral lobe encoding for roughness-adaptive specular lobe and leveraging the pre-convoluted background for accurate decomposition, the proposed method represents a significant step towards integrating physically based rendering into the NeRF representation. The experiments demonstrate the superior performance of novel-view rendering compared to previous works, and the capability to re-render objects under arbitrary NeRF-style environments opens up exciting possibilities for bridging the gap between virtual and real-world scenes. The project and supplementary materials are available at https://yiyuzhuang.github.io/NeAI/.

Reliable generalization lies at the heart of safe ML and AI. However, understanding when and how neural networks generalize remains one of the most important unsolved problems in the field. In this work, we conduct an extensive empirical study (20'910 models, 15 tasks) to investigate whether insights from the theory of computation can predict the limits of neural network generalization in practice. We demonstrate that grouping tasks according to the Chomsky hierarchy allows us to forecast whether certain architectures will be able to generalize to out-of-distribution inputs. This includes negative results where even extensive amounts of data and training time never lead to any non-trivial generalization, despite models having sufficient capacity to fit the training data perfectly. Our results show that, for our subset of tasks, RNNs and Transformers fail to generalize on non-regular tasks, LSTMs can solve regular and counter-language tasks, and only networks augmented with structured memory (such as a stack or memory tape) can successfully generalize on context-free and context-sensitive tasks.

Model pruning seeks to induce sparsity in a deep neural network's various connection matrices, thereby reducing the number of nonzero-valued parameters in the model. Recent reports (Han et al., 2015; Narang et al., 2017) prune deep networks at the cost of only a marginal loss in accuracy and achieve a sizable reduction in model size. This hints at the possibility that the baseline models in these experiments are perhaps severely over-parameterized at the outset and a viable alternative for model compression might be to simply reduce the number of hidden units while maintaining the model's dense connection structure, exposing a similar trade-off in model size and accuracy. We investigate these two distinct paths for model compression within the context of energy-efficient inference in resource-constrained environments and propose a new gradual pruning technique that is simple and straightforward to apply across a variety of models/datasets with minimal tuning and can be seamlessly incorporated within the training process. We compare the accuracy of large, but pruned models (large-sparse) and their smaller, but dense (small-dense) counterparts with identical memory footprint. Across a broad range of neural network architectures (deep CNNs, stacked LSTM, and seq2seq LSTM models), we find large-sparse models to consistently outperform small-dense models and achieve up to 10x reduction in number of non-zero parameters with minimal loss in accuracy.

The extensive need for computational resources poses a significant obstacle to deploying large-scale Deep Neural Networks (DNN) on devices with constrained resources. At the same time, studies have demonstrated that a significant number of these DNN parameters are redundant and extraneous. In this paper, we introduce a novel approach for learning structured sparse neural networks, aimed at bridging the DNN hardware deployment challenges. We develop a novel regularization technique, termed Weighted Group Sparse Envelope Function (WGSEF), generalizing the Sparse Envelop Function (SEF), to select (or nullify) neuron groups, thereby reducing redundancy and enhancing computational efficiency. The method speeds up inference time and aims to reduce memory demand and power consumption, thanks to its adaptability which lets any hardware specify group definitions, such as filters, channels, filter shapes, layer depths, a single parameter (unstructured), etc. The properties of the WGSEF enable the pre-definition of a desired sparsity level to be achieved at the training convergence. In the case of redundant parameters, this approach maintains negligible network accuracy degradation or can even lead to improvements in accuracy. Our method efficiently computes the WGSEF regularizer and its proximal operator, in a worst-case linear complexity relative to the number of group variables. Employing a proximal-gradient-based optimization technique, to train the model, it tackles the non-convex minimization problem incorporating the neural network loss and the WGSEF. Finally, we experiment and illustrate the efficiency of our proposed method in terms of the compression ratio, accuracy, and inference latency.

Deep learning's great success motivates many practitioners and students to learn about this exciting technology. However, it is often challenging for beginners to take their first step due to the complexity of understanding and applying deep learning. We present CNN Explainer, an interactive visualization tool designed for non-experts to learn and examine convolutional neural networks (CNNs), a foundational deep learning model architecture. Our tool addresses key challenges that novices face while learning about CNNs, which we identify from interviews with instructors and a survey with past students. CNN Explainer tightly integrates a model overview that summarizes a CNN's structure, and on-demand, dynamic visual explanation views that help users understand the underlying components of CNNs. Through smooth transitions across levels of abstraction, our tool enables users to inspect the interplay between low-level mathematical operations and high-level model structures. A qualitative user study shows that CNN Explainer helps users more easily understand the inner workings of CNNs, and is engaging and enjoyable to use. We also derive design lessons from our study. Developed using modern web technologies, CNN Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern deep learning techniques.

Deep Neural Networks (DNNs) are typically trained by backpropagation in a batch learning setting, which requires the entire training data to be made available prior to the learning task. This is not scalable for many real-world scenarios where new data arrives sequentially in a stream form. We aim to address an open challenge of "Online Deep Learning" (ODL) for learning DNNs on the fly in an online setting. Unlike traditional online learning that often optimizes some convex objective function with respect to a shallow model (e.g., a linear/kernel-based hypothesis), ODL is significantly more challenging since the optimization of the DNN objective function is non-convex, and regular backpropagation does not work well in practice, especially for online learning settings. In this paper, we present a new online deep learning framework that attempts to tackle the challenges by learning DNN models of adaptive depth from a sequence of training data in an online learning setting. In particular, we propose a novel Hedge Backpropagation (HBP) method for online updating the parameters of DNN effectively, and validate the efficacy of our method on large-scale data sets, including both stationary and concept drifting scenarios.

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of `flows' -- one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.

Deep neural networks that achieve remarkable performance in image classification have previously been shown to be easily fooled by tiny transformations such as a one pixel translation of the input image. In order to address this problem, two approaches have been proposed in recent years. The first approach suggests using huge datasets together with data augmentation in the hope that a highly varied training set will teach the network to learn to be invariant. The second approach suggests using architectural modifications based on sampling theory to deal explicitly with image translations. In this paper, we show that these approaches still fall short in robustly handling 'natural' image translations that simulate a subtle change in camera orientation. Our findings reveal that a mere one-pixel translation can result in a significant change in the predicted image representation for approximately 40% of the test images in state-of-the-art models (e.g. open-CLIP trained on LAION-2B or DINO-v2) , while models that are explicitly constructed to be robust to cyclic translations can still be fooled with 1 pixel realistic (non-cyclic) translations 11% of the time. We present Robust Inference by Crop Selection: a simple method that can be proven to achieve any desired level of consistency, although with a modest tradeoff with the model's accuracy. Importantly, we demonstrate how employing this method reduces the ability to fool state-of-the-art models with a 1 pixel translation to less than 5% while suffering from only a 1% drop in classification accuracy. Additionally, we show that our method can be easy adjusted to deal with circular shifts as well. In such case we achieve 100% robustness to integer shifts with state-of-the-art accuracy, and with no need for any further training.

Deep neural network (DNN) deployment has been confined to larger hardware devices due to their expensive computational requirements. This challenge has recently reached another scale with the emergence of large language models (LLMs). In order to reduce both their memory footprint and latency, a promising technique is quantization. It consists in converting floating point representations to low bit-width fixed point representations, usually by assuming a uniform mapping onto a regular grid. This process, referred to in the literature as uniform quantization, may however be ill-suited as most DNN weights and activations follow a bell-shaped distribution. This is even worse on LLMs whose weight distributions are known to exhibit large, high impact, outlier values. In this work, we propose an improvement over the most commonly adopted way to tackle this limitation in deep learning models quantization, namely, non-uniform quantization. NUPES leverages automorphisms to preserve the scalar multiplications. Such transformations are derived from power functions. However, the optimization of the exponent parameter and weight values remains a challenging and novel problem which could not be solved with previous post training optimization techniques which only learn to round up or down weight values in order to preserve the predictive function. We circumvent this limitation with a new paradigm: learning new quantized weights over the entire quantized space. Similarly, we enable the optimization of the power exponent, i.e. the optimization of the quantization operator itself during training by alleviating all the numerical instabilities. The resulting predictive function is compatible with integer-only low-bit inference. We show the ability of the method to achieve state-of-the-art compression rates in both, data-free and data-driven configurations.

The long-standing one-to-many problem of gold standard responses in open-domain dialogue systems presents challenges for automatic evaluation metrics. Though prior works have demonstrated some success by applying powerful Large Language Models (LLMs), existing approaches still struggle with the one-to-many problem, and exhibit subpar performance in domain-specific scenarios. We assume the commonsense reasoning biases within LLMs may hinder their performance in domainspecific evaluations. To address both issues, we propose a novel framework SLIDE (Small and Large Integrated for Dialogue Evaluation), that leverages both a small, specialised model (SLM), and LLMs for the evaluation of open domain dialogues. Our approach introduces several techniques: (1) Contrastive learning to differentiate between robust and non-robust response embeddings; (2) A novel metric for semantic sensitivity that combines embedding cosine distances with similarity learned through neural networks, and (3) a strategy for incorporating the evaluation results from both the SLM and LLMs. Our empirical results demonstrate that our approach achieves state-of-the-art performance in both the classification and evaluation tasks, and additionally the SLIDE evaluator exhibits better correlation with human judgements. Our code is available at https:// github.com/hegehongcha/SLIDE-ACL2024.

The lack of transparency of Deep Neural Networks continues to be a limitation that severely undermines their reliability and usage in high-stakes applications. Promising approaches to overcome such limitations are Prototype-Based Self-Explainable Neural Networks (PSENNs), whose predictions rely on the similarity between the input at hand and a set of prototypical representations of the output classes, offering therefore a deep, yet transparent-by-design, architecture. So far, such models have been designed by considering pointwise estimates for the prototypes, which remain fixed after the learning phase of the model. In this paper, we introduce a probabilistic reformulation of PSENNs, called Prob-PSENN, which replaces point estimates for the prototypes with probability distributions over their values. This provides not only a more flexible framework for an end-to-end learning of prototypes, but can also capture the explanatory uncertainty of the model, which is a missing feature in previous approaches. In addition, since the prototypes determine both the explanation and the prediction, Prob-PSENNs allow us to detect when the model is making uninformed or uncertain predictions, and to obtain valid explanations for them. Our experiments demonstrate that Prob-PSENNs provide more meaningful and robust explanations than their non-probabilistic counterparts, thus enhancing the explainability and reliability of the models.

The rapid advances in Vision Transformer (ViT) refresh the state-of-the-art performances in various vision tasks, overshadowing the conventional CNN-based models. This ignites a few recent striking-back research in the CNN world showing that pure CNN models can achieve as good performance as ViT models when carefully tuned. While encouraging, designing such high-performance CNN models is challenging, requiring non-trivial prior knowledge of network design. To this end, a novel framework termed Mathematical Architecture Design for Deep CNN (DeepMAD) is proposed to design high-performance CNN models in a principled way. In DeepMAD, a CNN network is modeled as an information processing system whose expressiveness and effectiveness can be analytically formulated by their structural parameters. Then a constrained mathematical programming (MP) problem is proposed to optimize these structural parameters. The MP problem can be easily solved by off-the-shelf MP solvers on CPUs with a small memory footprint. In addition, DeepMAD is a pure mathematical framework: no GPU or training data is required during network design. The superiority of DeepMAD is validated on multiple large-scale computer vision benchmark datasets. Notably on ImageNet-1k, only using conventional convolutional layers, DeepMAD achieves 0.7% and 1.5% higher top-1 accuracy than ConvNeXt and Swin on Tiny level, and 0.8% and 0.9% higher on Small level.

Federated learning (FL) is a privacy-friendly type of machine learning where devices locally train a model on their private data and typically communicate model updates with a server. In decentralized FL (DFL), peers communicate model updates with each other instead. However, DFL is challenging since (1) the training data possessed by different peers is often non-i.i.d. (i.e., distributed differently between the peers) and (2) malicious, or Byzantine, attackers can share arbitrary model updates with other peers to subvert the training process. We address these two challenges and present Bristle, middleware between the learning application and the decentralized network layer. Bristle leverages transfer learning to predetermine and freeze the non-output layers of a neural network, significantly speeding up model training and lowering communication costs. To securely update the output layer with model updates from other peers, we design a fast distance-based prioritizer and a novel performance-based integrator. Their combined effect results in high resilience to Byzantine attackers and the ability to handle non-i.i.d. classes. We empirically show that Bristle converges to a consistent 95% accuracy in Byzantine environments, outperforming all evaluated baselines. In non-Byzantine environments, Bristle requires 83% fewer iterations to achieve 90% accuracy compared to state-of-the-art methods. We show that when the training classes are non-i.i.d., Bristle significantly outperforms the accuracy of the most Byzantine-resilient baselines by 2.3x while reducing communication costs by 90%.

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCC's pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.

Causal abstraction is a promising theoretical framework for explainable artificial intelligence that defines when an interpretable high-level causal model is a faithful simplification of a low-level deep learning system. However, existing causal abstraction methods have two major limitations: they require a brute-force search over alignments between the high-level model and the low-level one, and they presuppose that variables in the high-level model will align with disjoint sets of neurons in the low-level one. In this paper, we present distributed alignment search (DAS), which overcomes these limitations. In DAS, we find the alignment between high-level and low-level models using gradient descent rather than conducting a brute-force search, and we allow individual neurons to play multiple distinct roles by analyzing representations in non-standard bases-distributed representations. Our experiments show that DAS can discover internal structure that prior approaches miss. Overall, DAS removes previous obstacles to conducting causal abstraction analyses and allows us to find conceptual structure in trained neural nets.

Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle -- reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral. Code will be released at https://github.com/zjunlp/EasyEdit.

Deep Neural Network (DNN) is powerful but computationally expensive and memory intensive, thus impeding its practical usage on resource-constrained front-end devices. DNN pruning is an approach for deep model compression, which aims at eliminating some parameters with tolerable performance degradation. In this paper, we propose a novel momentum-SGD-based optimization method to reduce the network complexity by on-the-fly pruning. Concretely, given a global compression ratio, we categorize all the parameters into two parts at each training iteration which are updated using different rules. In this way, we gradually zero out the redundant parameters, as we update them using only the ordinary weight decay but no gradients derived from the objective function. As a departure from prior methods that require heavy human works to tune the layer-wise sparsity ratios, prune by solving complicated non-differentiable problems or finetune the model after pruning, our method is characterized by 1) global compression that automatically finds the appropriate per-layer sparsity ratios; 2) end-to-end training; 3) no need for a time-consuming re-training process after pruning; and 4) superior capability to find better winning tickets which have won the initialization lottery.

Existing methods for optimal control struggle to deal with the complexity commonly encountered in real-world systems, including dimensionality, process error, model bias and data heterogeneity. Instead of tackling these system complexities directly, researchers have typically sought to simplify models to fit optimal control methods. But when is the optimal solution to an approximate, stylized model better than an approximate solution to a more accurate model? While this question has largely gone unanswered owing to the difficulty of finding even approximate solutions for complex models, recent algorithmic and computational advances in deep reinforcement learning (DRL) might finally allow us to address these questions. DRL methods have to date been applied primarily in the context of games or robotic mechanics, which operate under precisely known rules. Here, we demonstrate the ability for DRL algorithms using deep neural networks to successfully approximate solutions (the "policy function" or control rule) in a non-linear three-variable model for a fishery without knowing or ever attempting to infer a model for the process itself. We find that the reinforcement learning agent discovers an effective simplification of the problem to obtain an interpretable control rule. We show that the policy obtained with DRL is both more profitable and more sustainable than any constant mortality policy -- the standard family of policies considered in fishery management.

Under low-light environment, handheld photography suffers from severe camera shake under long exposure settings. Although existing deblurring algorithms have shown promising performance on well-exposed blurry images, they still cannot cope with low-light snapshots. Sophisticated noise and saturation regions are two dominating challenges in practical low-light deblurring. In this work, we propose a novel non-blind deblurring method dubbed image and feature space Wiener deconvolution network (INFWIDE) to tackle these problems systematically. In terms of algorithm design, INFWIDE proposes a two-branch architecture, which explicitly removes noise and hallucinates saturated regions in the image space and suppresses ringing artifacts in the feature space, and integrates the two complementary outputs with a subtle multi-scale fusion network for high quality night photograph deblurring. For effective network training, we design a set of loss functions integrating a forward imaging model and backward reconstruction to form a close-loop regularization to secure good convergence of the deep neural network. Further, to optimize INFWIDE's applicability in real low-light conditions, a physical-process-based low-light noise model is employed to synthesize realistic noisy night photographs for model training. Taking advantage of the traditional Wiener deconvolution algorithm's physically driven characteristics and arisen deep neural network's representation ability, INFWIDE can recover fine details while suppressing the unpleasant artifacts during deblurring. Extensive experiments on synthetic data and real data demonstrate the superior performance of the proposed approach.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

The Multiplane Image (MPI), containing a set of fronto-parallel RGBA layers, is an effective and efficient representation for view synthesis from sparse inputs. Yet, its fixed structure limits the performance, especially for surfaces imaged at oblique angles. We introduce the Structural MPI (S-MPI), where the plane structure approximates 3D scenes concisely. Conveying RGBA contexts with geometrically-faithful structures, the S-MPI directly bridges view synthesis and 3D reconstruction. It can not only overcome the critical limitations of MPI, i.e., discretization artifacts from sloped surfaces and abuse of redundant layers, and can also acquire planar 3D reconstruction. Despite the intuition and demand of applying S-MPI, great challenges are introduced, e.g., high-fidelity approximation for both RGBA layers and plane poses, multi-view consistency, non-planar regions modeling, and efficient rendering with intersected planes. Accordingly, we propose a transformer-based network based on a segmentation model. It predicts compact and expressive S-MPI layers with their corresponding masks, poses, and RGBA contexts. Non-planar regions are inclusively handled as a special case in our unified framework. Multi-view consistency is ensured by sharing global proxy embeddings, which encode plane-level features covering the complete 3D scenes with aligned coordinates. Intensive experiments show that our method outperforms both previous state-of-the-art MPI-based view synthesis methods and planar reconstruction methods.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

Neural radiance fields (NeRF) have revolutionized the field of image-based view synthesis. However, NeRF uses straight rays and fails to deal with complicated light path changes caused by refraction and reflection. This prevents NeRF from successfully synthesizing transparent or specular objects, which are ubiquitous in real-world robotics and A/VR applications. In this paper, we introduce the refractive-reflective field. Taking the object silhouette as input, we first utilize marching tetrahedra with a progressive encoding to reconstruct the geometry of non-Lambertian objects and then model refraction and reflection effects of the object in a unified framework using Fresnel terms. Meanwhile, to achieve efficient and effective anti-aliasing, we propose a virtual cone supersampling technique. We benchmark our method on different shapes, backgrounds and Fresnel terms on both real-world and synthetic datasets. We also qualitatively and quantitatively benchmark the rendering results of various editing applications, including material editing, object replacement/insertion, and environment illumination estimation. Codes and data are publicly available at https://github.com/dawning77/NeRRF.

The success of bidirectional encoders using masked language models, such as BERT, on numerous natural language processing tasks has prompted researchers to attempt to incorporate these pre-trained models into neural machine translation (NMT) systems. However, proposed methods for incorporating pre-trained models are non-trivial and mainly focus on BERT, which lacks a comparison of the impact that other pre-trained models may have on translation performance. In this paper, we demonstrate that simply using the output (contextualized embeddings) of a tailored and suitable bilingual pre-trained language model (dubbed BiBERT) as the input of the NMT encoder achieves state-of-the-art translation performance. Moreover, we also propose a stochastic layer selection approach and a concept of dual-directional translation model to ensure the sufficient utilization of contextualized embeddings. In the case of without using back translation, our best models achieve BLEU scores of 30.45 for En->De and 38.61 for De->En on the IWSLT'14 dataset, and 31.26 for En->De and 34.94 for De->En on the WMT'14 dataset, which exceeds all published numbers.

Given a stationary state-space model that relates a sequence of hidden states and corresponding measurements or observations, Bayesian filtering provides a principled statistical framework for inferring the posterior distribution of the current state given all measurements up to the present time. For example, the Apollo lunar module implemented a Kalman filter to infer its location from a sequence of earth-based radar measurements and land safely on the moon. To perform Bayesian filtering, we require a measurement model that describes the conditional distribution of each observation given state. The Kalman filter takes this measurement model to be linear, Gaussian. Here we show how a nonlinear, Gaussian approximation to the distribution of state given observation can be used in conjunction with Bayes' rule to build a nonlinear, non-Gaussian measurement model. The resulting approach, called the Discriminative Kalman Filter (DKF), retains fast closed-form updates for the posterior. We argue there are many cases where the distribution of state given measurement is better-approximated as Gaussian, especially when the dimensionality of measurements far exceeds that of states and the Bernstein-von Mises theorem applies. Online neural decoding for brain-computer interfaces provides a motivating example, where filtering incorporates increasingly detailed measurements of neural activity to provide users control over external devices. Within the BrainGate2 clinical trial, the DKF successfully enabled three volunteers with quadriplegia to control an on-screen cursor in real-time using mental imagery alone. Participant "T9" used the DKF to type out messages on a tablet PC.

Machine learning is widely used to analyze biological sequence data. Non-sequential models such as SVMs or feed-forward neural networks are often used although they have no natural way of handling sequences of varying length. Recurrent neural networks such as the long short term memory (LSTM) model on the other hand are designed to handle sequences. In this study we demonstrate that LSTM networks predict the subcellular location of proteins given only the protein sequence with high accuracy (0.902) outperforming current state of the art algorithms. We further improve the performance by introducing convolutional filters and experiment with an attention mechanism which lets the LSTM focus on specific parts of the protein. Lastly we introduce new visualizations of both the convolutional filters and the attention mechanisms and show how they can be used to extract biological relevant knowledge from the LSTM networks.

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

We introduce OmniRe, a holistic approach for efficiently reconstructing high-fidelity dynamic urban scenes from on-device logs. Recent methods for modeling driving sequences using neural radiance fields or Gaussian Splatting have demonstrated the potential of reconstructing challenging dynamic scenes, but often overlook pedestrians and other non-vehicle dynamic actors, hindering a complete pipeline for dynamic urban scene reconstruction. To that end, we propose a comprehensive 3DGS framework for driving scenes, named OmniRe, that allows for accurate, full-length reconstruction of diverse dynamic objects in a driving log. OmniRe builds dynamic neural scene graphs based on Gaussian representations and constructs multiple local canonical spaces that model various dynamic actors, including vehicles, pedestrians, and cyclists, among many others. This capability is unmatched by existing methods. OmniRe allows us to holistically reconstruct different objects present in the scene, subsequently enabling the simulation of reconstructed scenarios with all actors participating in real-time (~60Hz). Extensive evaluations on the Waymo dataset show that our approach outperforms prior state-of-the-art methods quantitatively and qualitatively by a large margin. We believe our work fills a critical gap in driving reconstruction.

While previous years have seen great progress in the 3D reconstruction of humans from monocular videos, few of the state-of-the-art methods are able to handle loose garments that exhibit large non-rigid surface deformations during articulation. This limits the application of such methods to humans that are dressed in standard pants or T-shirts. Our method, ReLoo, overcomes this limitation and reconstructs high-quality 3D models of humans dressed in loose garments from monocular in-the-wild videos. To tackle this problem, we first establish a layered neural human representation that decomposes clothed humans into a neural inner body and outer clothing. On top of the layered neural representation, we further introduce a non-hierarchical virtual bone deformation module for the clothing layer that can freely move, which allows the accurate recovery of non-rigidly deforming loose clothing. A global optimization jointly optimizes the shape, appearance, and deformations of the human body and clothing via multi-layer differentiable volume rendering. To evaluate ReLoo, we record subjects with dynamically deforming garments in a multi-view capture studio. This evaluation, both on existing and our novel dataset, demonstrates ReLoo's clear superiority over prior art on both indoor datasets and in-the-wild videos.

The intrinsic difficulty in adapting deep learning models to non-stationary environments limits the applicability of neural networks to real-world tasks. This issue is critical in practical supervised learning settings, such as the ones in which a pre-trained model computes projections toward a latent space where different task predictors are sequentially learned over time. As a matter of fact, incrementally fine-tuning the whole model to better adapt to new tasks usually results in catastrophic forgetting, with decreasing performance over the past experiences and losing valuable knowledge from the pre-training stage. In this paper, we propose a novel strategy to make the fine-tuning procedure more effective, by avoiding to update the pre-trained part of the network and learning not only the usual classification head, but also a set of newly-introduced learnable parameters that are responsible for transforming the input data. This process allows the network to effectively leverage the pre-training knowledge and find a good trade-off between plasticity and stability with modest computational efforts, thus especially suitable for on-the-edge settings. Our experiments on four image classification problems in a continual learning setting confirm the quality of the proposed approach when compared to several fine-tuning procedures and to popular continual learning methods.

The two dominant approaches to neural text generation are fully autoregressive models, using serial beam search decoding, and non-autoregressive models, using parallel decoding with no output dependencies. This work proposes an autoregressive model with sub-linear parallel time generation. Noting that conditional random fields with bounded context can be decoded in parallel, we propose an efficient cascaded decoding approach for generating high-quality output. To parameterize this cascade, we introduce a Markov transformer, a variant of the popular fully autoregressive model that allows us to simultaneously decode with specific autoregressive context cutoffs. This approach requires only a small modification from standard autoregressive training, while showing competitive accuracy/speed tradeoff compared to existing methods on five machine translation datasets.

We present a neural encoder-decoder model to convert images into presentational markup based on a scalable coarse-to-fine attention mechanism. Our method is evaluated in the context of image-to-LaTeX generation, and we introduce a new dataset of real-world rendered mathematical expressions paired with LaTeX markup. We show that unlike neural OCR techniques using CTC-based models, attention-based approaches can tackle this non-standard OCR task. Our approach outperforms classical mathematical OCR systems by a large margin on in-domain rendered data, and, with pretraining, also performs well on out-of-domain handwritten data. To reduce the inference complexity associated with the attention-based approaches, we introduce a new coarse-to-fine attention layer that selects a support region before applying attention.

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

Large pre-trained language models have been shown to store factual knowledge in their parameters, and achieve state-of-the-art results when fine-tuned on downstream NLP tasks. However, their ability to access and precisely manipulate knowledge is still limited, and hence on knowledge-intensive tasks, their performance lags behind task-specific architectures. Additionally, providing provenance for their decisions and updating their world knowledge remain open research problems. Pre-trained models with a differentiable access mechanism to explicit non-parametric memory can overcome this issue, but have so far been only investigated for extractive downstream tasks. We explore a general-purpose fine-tuning recipe for retrieval-augmented generation (RAG) -- models which combine pre-trained parametric and non-parametric memory for language generation. We introduce RAG models where the parametric memory is a pre-trained seq2seq model and the non-parametric memory is a dense vector index of Wikipedia, accessed with a pre-trained neural retriever. We compare two RAG formulations, one which conditions on the same retrieved passages across the whole generated sequence, the other can use different passages per token. We fine-tune and evaluate our models on a wide range of knowledge-intensive NLP tasks and set the state-of-the-art on three open domain QA tasks, outperforming parametric seq2seq models and task-specific retrieve-and-extract architectures. For language generation tasks, we find that RAG models generate more specific, diverse and factual language than a state-of-the-art parametric-only seq2seq baseline.

Diffusion-based text-to-image models ignited immense attention from the vision community, artists, and content creators. Broad adoption of these models is due to significant improvement in the quality of generations and efficient conditioning on various modalities, not just text. However, lifting the rich generative priors of these 2D models into 3D is challenging. Recent works have proposed various pipelines powered by the entanglement of diffusion models and neural fields. We explore the power of pretrained 2D diffusion models and standard 3D neural radiance fields as independent, standalone tools and demonstrate their ability to work together in a non-learned fashion. Such modularity has the intrinsic advantage of eased partial upgrades, which became an important property in such a fast-paced domain. Our pipeline accepts any legacy renderable geometry, such as textured or untextured meshes, orchestrates the interaction between 2D generative refinement and 3D consistency enforcement tools, and outputs a painted input geometry in several formats. We conduct a large-scale study on a wide range of objects and categories from the ShapeNetSem dataset and demonstrate the advantages of our approach, both qualitatively and quantitatively. Project page: https://www.obukhov.ai/repainting_3d_assets

Designing nanophotonic structures traditionally grapples with the complexities of discrete parameters, such as real materials, often resorting to costly global optimization methods. This paper introduces an approach that leverages generative deep learning to map discrete parameter sets into a continuous latent space, enabling direct gradient-based optimization. For scenarios with non-differentiable physics evaluation functions, a neural network is employed as a differentiable surrogate model. The efficacy of this methodology is demonstrated by optimizing the directional scattering properties of core-shell nanoparticles composed of a selection of realistic materials. We derive suggestions for core-shell geometries with strong forward scattering and minimized backscattering. Our findings reveal significant improvements in computational efficiency and performance when compared to global optimization techniques. Beyond nanophotonics design problems, this framework holds promise for broad applications across all types of inverse problems constrained by discrete variables.

The success of artificial neural networks (ANNs) hinges greatly on the judicious selection of an activation function, introducing non-linearity into network and enabling them to model sophisticated relationships in data. However, the search of activation functions has largely relied on empirical knowledge in the past, lacking theoretical guidance, which has hindered the identification of more effective activation functions. In this work, we offer a proper solution to such issue. Firstly, we theoretically demonstrate the existence of the worst activation function with boundary conditions (WAFBC) from the perspective of information entropy. Furthermore, inspired by the Taylor expansion form of information entropy functional, we propose the Entropy-based Activation Function Optimization (EAFO) methodology. EAFO methodology presents a novel perspective for designing static activation functions in deep neural networks and the potential of dynamically optimizing activation during iterative training. Utilizing EAFO methodology, we derive a novel activation function from ReLU, known as Correction Regularized ReLU (CRReLU). Experiments conducted with vision transformer and its variants on CIFAR-10, CIFAR-100 and ImageNet-1K datasets demonstrate the superiority of CRReLU over existing corrections of ReLU. Extensive empirical studies on task of large language model (LLM) fine-tuning, CRReLU exhibits superior performance compared to GELU, suggesting its broader potential for practical applications.

We propose a novel high-performance and interpretable canonical deep tabular data learning architecture, TabNet. TabNet uses sequential attention to choose which features to reason from at each decision step, enabling interpretability and more efficient learning as the learning capacity is used for the most salient features. We demonstrate that TabNet outperforms other neural network and decision tree variants on a wide range of non-performance-saturated tabular datasets and yields interpretable feature attributions plus insights into the global model behavior. Finally, for the first time to our knowledge, we demonstrate self-supervised learning for tabular data, significantly improving performance with unsupervised representation learning when unlabeled data is abundant.

Machine learning techniques based on neural networks are achieving remarkable results in a wide variety of domains. Often, the training of models requires large, representative datasets, which may be crowdsourced and contain sensitive information. The models should not expose private information in these datasets. Addressing this goal, we develop new algorithmic techniques for learning and a refined analysis of privacy costs within the framework of differential privacy. Our implementation and experiments demonstrate that we can train deep neural networks with non-convex objectives, under a modest privacy budget, and at a manageable cost in software complexity, training efficiency, and model quality.

Meta learning have achieved promising performance in low-resource text classification which aims to identify target classes with knowledge transferred from source classes with sets of small tasks named episodes. However, due to the limited training data in the meta-learning scenario and the inherent properties of parameterized neural networks, poor generalization performance has become a pressing problem that needs to be addressed. To deal with this issue, we propose a meta-learning based method called Retrieval-Augmented Meta Learning(RAML). It not only uses parameterization for inference but also retrieves non-parametric knowledge from an external corpus to make inferences, which greatly alleviates the problem of poor generalization performance caused by the lack of diverse training data in meta-learning. This method differs from previous models that solely rely on parameters, as it explicitly emphasizes the importance of non-parametric knowledge, aiming to strike a balance between parameterized neural networks and non-parametric knowledge. The model is required to determine which knowledge to access and utilize during inference. Additionally, our multi-view passages fusion network module can effectively and efficiently integrate the retrieved information into low-resource classification task. The extensive experiments demonstrate that RAML significantly outperforms current SOTA low-resource text classification models.

Contemporary machine learning models, such as language models, are powerful, but come with immense resource requirements both at training and inference time. It has been shown that decoder-only language models can be trained to a competitive state with ternary weights (1.58 bits per weight), facilitating efficient inference. Here, we start our exploration with non-transformer model architectures, investigating 1.58-bit training for multi-layer perceptrons and graph neural networks. Then, we explore 1.58-bit training in other transformer-based language models, namely encoder-only and encoder-decoder models. Our results show that in all of these settings, 1.58-bit training is on par with or sometimes even better than the standard 32/16-bit models.

Machine learning frameworks for physical problems must capture and enforce physical constraints that preserve the structure of dynamical systems. Many existing approaches achieve this by integrating physical operators into neural networks. While these methods offer theoretical guarantees, they face two key limitations: (i) they primarily model local relations between adjacent time steps, overlooking longer-range or higher-level physical interactions, and (ii) they focus on forward simulation while neglecting broader physical reasoning tasks. We propose the Denoising Hamiltonian Network (DHN), a novel framework that generalizes Hamiltonian mechanics operators into more flexible neural operators. DHN captures non-local temporal relationships and mitigates numerical integration errors through a denoising mechanism. DHN also supports multi-system modeling with a global conditioning mechanism. We demonstrate its effectiveness and flexibility across three diverse physical reasoning tasks with distinct inputs and outputs.

Mechanistic interpretability methods aim to identify the algorithm a neural network implements, but it is difficult to validate such methods when the true algorithm is unknown. This work presents InterpBench, a collection of semi-synthetic yet realistic transformers with known circuits for evaluating these techniques. We train these neural networks using a stricter version of Interchange Intervention Training (IIT) which we call Strict IIT (SIIT). Like the original, SIIT trains neural networks by aligning their internal computation with a desired high-level causal model, but it also prevents non-circuit nodes from affecting the model's output. We evaluate SIIT on sparse transformers produced by the Tracr tool and find that SIIT models maintain Tracr's original circuit while being more realistic. SIIT can also train transformers with larger circuits, like Indirect Object Identification (IOI). Finally, we use our benchmark to evaluate existing circuit discovery techniques.

This work explores hypernetworks: an approach of using a one network, also known as a hypernetwork, to generate the weights for another network. Hypernetworks provide an abstraction that is similar to what is found in nature: the relationship between a genotype - the hypernetwork - and a phenotype - the main network. Though they are also reminiscent of HyperNEAT in evolution, our hypernetworks are trained end-to-end with backpropagation and thus are usually faster. The focus of this work is to make hypernetworks useful for deep convolutional networks and long recurrent networks, where hypernetworks can be viewed as relaxed form of weight-sharing across layers. Our main result is that hypernetworks can generate non-shared weights for LSTM and achieve near state-of-the-art results on a variety of sequence modelling tasks including character-level language modelling, handwriting generation and neural machine translation, challenging the weight-sharing paradigm for recurrent networks. Our results also show that hypernetworks applied to convolutional networks still achieve respectable results for image recognition tasks compared to state-of-the-art baseline models while requiring fewer learnable parameters.

Recently, semidefinite programming (SDP) techniques have shown great promise in providing accurate Lipschitz bounds for neural networks. Specifically, the LipSDP approach (Fazlyab et al., 2019) has received much attention and provides the least conservative Lipschitz upper bounds that can be computed with polynomial time guarantees. However, one main restriction of LipSDP is that its formulation requires the activation functions to be slope-restricted on [0,1], preventing its further use for more general activation functions such as GroupSort, MaxMin, and Householder. One can rewrite MaxMin activations for example as residual ReLU networks. However, a direct application of LipSDP to the resultant residual ReLU networks is conservative and even fails in recovering the well-known fact that the MaxMin activation is 1-Lipschitz. Our paper bridges this gap and extends LipSDP beyond slope-restricted activation functions. To this end, we provide novel quadratic constraints for GroupSort, MaxMin, and Householder activations via leveraging their underlying properties such as sum preservation. Our proposed analysis is general and provides a unified approach for estimating ell_2 and ell_infty Lipschitz bounds for a rich class of neural network architectures, including non-residual and residual neural networks and implicit models, with GroupSort, MaxMin, and Householder activations. Finally, we illustrate the utility of our approach with a variety of experiments and show that our proposed SDPs generate less conservative Lipschitz bounds in comparison to existing approaches.

Recently we have witnessed the rapid development of video question answering models. However, most models can only handle simple videos in terms of temporal reasoning, and their performance tends to drop when answering temporal-reasoning questions on long and informative videos. To tackle this problem we propose STAIR, a Spatial-Temporal Reasoning model with Auditable Intermediate Results for video question answering. STAIR is a neural module network, which contains a program generator to decompose a given question into a hierarchical combination of several sub-tasks, and a set of lightweight neural modules to complete each of these sub-tasks. Though neural module networks are already widely studied on image-text tasks, applying them to videos is a non-trivial task, as reasoning on videos requires different abilities. In this paper, we define a set of basic video-text sub-tasks for video question answering and design a set of lightweight modules to complete them. Different from most prior works, modules of STAIR return intermediate outputs specific to their intentions instead of always returning attention maps, which makes it easier to interpret and collaborate with pre-trained models. We also introduce intermediate supervision to make these intermediate outputs more accurate. We conduct extensive experiments on several video question answering datasets under various settings to show STAIR's performance, explainability, compatibility with pre-trained models, and applicability when program annotations are not available. Code: https://github.com/yellow-binary-tree/STAIR

We propose PROSE-FD, a zero-shot multimodal PDE foundational model for simultaneous prediction of heterogeneous two-dimensional physical systems related to distinct fluid dynamics settings. These systems include shallow water equations and the Navier-Stokes equations with incompressible and compressible flow, regular and complex geometries, and different buoyancy settings. This work presents a new transformer-based multi-operator learning approach that fuses symbolic information to perform operator-based data prediction, i.e. non-autoregressive. By incorporating multiple modalities in the inputs, the PDE foundation model builds in a pathway for including mathematical descriptions of the physical behavior. We pre-train our foundation model on 6 parametric families of equations collected from 13 datasets, including over 60K trajectories. Our model outperforms popular operator learning, computer vision, and multi-physics models, in benchmark forward prediction tasks. We test our architecture choices with ablation studies.

Neural Radiance Fields (NeRFs) quickly evolved as the new de-facto standard for the task of novel view synthesis when trained on a set of RGB images. In this paper, we conduct a comprehensive evaluation of neural scene representations, such as NeRFs, in the context of multi-modal learning. Specifically, we present four different strategies of how to incorporate a second modality, other than RGB, into NeRFs: (1) training from scratch independently on both modalities; (2) pre-training on RGB and fine-tuning on the second modality; (3) adding a second branch; and (4) adding a separate component to predict (color) values of the additional modality. We chose thermal imaging as second modality since it strongly differs from RGB in terms of radiosity, making it challenging to integrate into neural scene representations. For the evaluation of the proposed strategies, we captured a new publicly available multi-view dataset, ThermalMix, consisting of six common objects and about 360 RGB and thermal images in total. We employ cross-modality calibration prior to data capturing, leading to high-quality alignments between RGB and thermal images. Our findings reveal that adding a second branch to NeRF performs best for novel view synthesis on thermal images while also yielding compelling results on RGB. Finally, we also show that our analysis generalizes to other modalities, including near-infrared images and depth maps. Project page: https://mert-o.github.io/ThermalNeRF/.

The canonical deep learning approach for learning requires computing a gradient term at each layer by back-propagating the error signal from the output towards each learnable parameter. Given the stacked structure of neural networks, where each layer builds on the representation of the layer below, this approach leads to hierarchical representations. More abstract features live on the top layers of the model, while features on lower layers are expected to be less abstract. In contrast to this, we introduce a new learning method named NoProp, which does not rely on either forward or backwards propagation. Instead, NoProp takes inspiration from diffusion and flow matching methods, where each layer independently learns to denoise a noisy target. We believe this work takes a first step towards introducing a new family of gradient-free learning methods, that does not learn hierarchical representations -- at least not in the usual sense. NoProp needs to fix the representation at each layer beforehand to a noised version of the target, learning a local denoising process that can then be exploited at inference. We demonstrate the effectiveness of our method on MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks. Our results show that NoProp is a viable learning algorithm which achieves superior accuracy, is easier to use and computationally more efficient compared to other existing back-propagation-free methods. By departing from the traditional gradient based learning paradigm, NoProp alters how credit assignment is done within the network, enabling more efficient distributed learning as well as potentially impacting other characteristics of the learning process.

While neural networks can be approximated by linear models as their width increases, certain properties of wide neural networks cannot be captured by linear models. In this work we show that recently proposed Neural Quadratic Models can exhibit the "catapult phase" [Lewkowycz et al. 2020] that arises when training such models with large learning rates. We then empirically show that the behaviour of neural quadratic models parallels that of neural networks in generalization, especially in the catapult phase regime. Our analysis further demonstrates that quadratic models can be an effective tool for analysis of neural networks.

In Neural Architecture Search (NAS), reducing the cost of architecture evaluation remains one of the most crucial challenges. Among a plethora of efforts to bypass training of each candidate architecture to convergence for evaluation, the Neural Tangent Kernel (NTK) is emerging as a promising theoretical framework that can be utilized to estimate the performance of a neural architecture at initialization. In this work, we revisit several at-initialization metrics that can be derived from the NTK and reveal their key shortcomings. Then, through the empirical analysis of the time evolution of NTK, we deduce that modern neural architectures exhibit highly non-linear characteristics, making the NTK-based metrics incapable of reliably estimating the performance of an architecture without some amount of training. To take such non-linear characteristics into account, we introduce Label-Gradient Alignment (LGA), a novel NTK-based metric whose inherent formulation allows it to capture the large amount of non-linear advantage present in modern neural architectures. With minimal amount of training, LGA obtains a meaningful level of rank correlation with the post-training test accuracy of an architecture. Lastly, we demonstrate that LGA, complemented with few epochs of training, successfully guides existing search algorithms to achieve competitive search performances with significantly less search cost. The code is available at: https://github.com/nutellamok/DemystifyingNTK.

Much recent effort has been invested in non-autoregressive neural machine translation, which appears to be an efficient alternative to state-of-the-art autoregressive machine translation on modern GPUs. In contrast to the latter, where generation is sequential, the former allows generation to be parallelized across target token positions. Some of the latest non-autoregressive models have achieved impressive translation quality-speed tradeoffs compared to autoregressive baselines. In this work, we reexamine this tradeoff and argue that autoregressive baselines can be substantially sped up without loss in accuracy. Specifically, we study autoregressive models with encoders and decoders of varied depths. Our extensive experiments show that given a sufficiently deep encoder, a single-layer autoregressive decoder can substantially outperform strong non-autoregressive models with comparable inference speed. We show that the speed disadvantage for autoregressive baselines compared to non-autoregressive methods has been overestimated in three aspects: suboptimal layer allocation, insufficient speed measurement, and lack of knowledge distillation. Our results establish a new protocol for future research toward fast, accurate machine translation. Our code is available at https://github.com/jungokasai/deep-shallow.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning architecture that takes as input the entire dataset instead of processing one datapoint at a time. Our approach uses self-attention to reason about relationships between datapoints explicitly, which can be seen as realizing non-parametric models using parametric attention mechanisms. However, unlike conventional non-parametric models, we let the model learn end-to-end from the data how to make use of other datapoints for prediction. Empirically, our models solve cross-datapoint lookup and complex reasoning tasks unsolvable by traditional deep learning models. We show highly competitive results on tabular data, early results on CIFAR-10, and give insight into how the model makes use of the interactions between points.

This paper discusses a simple and explicit toy-model example of the categorical Hopfield equations introduced in previous work of Manin and the author. These describe dynamical assignments of resources to networks, where resources are objects in unital symmetric monoidal categories and assignments are realized by summing functors. The special case discussed here is based on computational resources (computational models of neurons) as objects in a category of DNNs, with a simple choice of the endofunctors defining the Hopfield equations that reproduce the usual updating of the weights in DNNs by gradient descent.

The ability to learn new concepts sequentially is a major weakness for modern neural networks, which hinders their use in non-stationary environments. Their propensity to fit the current data distribution to the detriment of the past acquired knowledge leads to the catastrophic forgetting issue. In this work we tackle the problem of Spoken Language Understanding applied to a continual learning setting. We first define a class-incremental scenario for the SLURP dataset. Then, we propose three knowledge distillation (KD) approaches to mitigate forgetting for a sequence-to-sequence transformer model: the first KD method is applied to the encoder output (audio-KD), and the other two work on the decoder output, either directly on the token-level (tok-KD) or on the sequence-level (seq-KD) distributions. We show that the seq-KD substantially improves all the performance metrics, and its combination with the audio-KD further decreases the average WER and enhances the entity prediction metric.

Despite the success of neural networks (NNs), there is still a concern among many over their "black box" nature. Why do they work? Here we present a simple analytic argument that NNs are in fact essentially polynomial regression models. This view will have various implications for NNs, e.g. providing an explanation for why convergence problems arise in NNs, and it gives rough guidance on avoiding overfitting. In addition, we use this phenomenon to predict and confirm a multicollinearity property of NNs not previously reported in the literature. Most importantly, given this loose correspondence, one may choose to routinely use polynomial models instead of NNs, thus avoiding some major problems of the latter, such as having to set many tuning parameters and dealing with convergence issues. We present a number of empirical results; in each case, the accuracy of the polynomial approach matches or exceeds that of NN approaches. A many-featured, open-source software package, polyreg, is available.

Deep Learning based models are currently dominating most state-of-the-art solutions for disease prediction. Existing works employ RNNs along with multiple levels of attention mechanisms to provide interpretability. These deep learning models, with trainable parameters running into millions, require huge amounts of compute and data to train and deploy. These requirements are sometimes so huge that they render usage of such models as unfeasible. We address these challenges by developing a simpler yet interpretable non-deep learning based model for application to EHR data. We model and showcase our work's results on the task of predicting first occurrence of a diagnosis, often overlooked in existing works. We push the capabilities of a tree based model and come up with a strong baseline for more sophisticated models. Its performance shows an improvement over deep learning based solutions (both, with and without the first-occurrence constraint) all the while maintaining interpretability.

These handouts are designed for people who is just starting involved with the topic artificial neural networks. We show how it works a single artificial neuron (McCulloch & Pitt model), mathematically and graphically. We do explain the delta rule, a learning algorithm to find the neuron weights. We also present some examples in MATLAB/Octave. There are examples for classification task for lineal and non-lineal problems. At the end, we present an artificial neural network, a feed-forward neural network along its learning algorithm backpropagation. ----- Estos apuntes est\'an dise\~nados para personas que por primera vez se introducen en el tema de las redes neuronales artificiales. Se muestra el funcionamiento b\'asico de una neurona, matem\'aticamente y gr\'aficamente. Se explica la Regla Delta, algoritmo deaprendizaje para encontrar los pesos de una neurona. Tambi\'en se muestran ejemplos en MATLAB/Octave. Hay ejemplos para problemas de clasificaci\'on, para problemas lineales y no-lineales. En la parte final se muestra la arquitectura de red neuronal artificial conocida como backpropagation.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Recent years have witnessed the outstanding success of deep learning in various fields such as vision and natural language processing. This success is largely indebted to the massive size of deep learning models that is expected to increase unceasingly. This growth of the deep learning models is accompanied by issues related to their considerable energy consumption, both during the training and inference phases, as well as their scalability. Although a number of work based on unconventional physical systems have been proposed which addresses the issue of energy efficiency in the inference phase, efficient training of deep learning models has remained unaddressed. So far, training of digital deep learning models mainly relies on backpropagation, which is not suitable for physical implementation as it requires perfect knowledge of the computation performed in the so-called forward pass of the neural network. Here, we tackle this issue by proposing a simple deep neural network architecture augmented by a biologically plausible learning algorithm, referred to as "model-free forward-forward training". The proposed architecture enables training deep physical neural networks consisting of layers of physical nonlinear systems, without requiring detailed knowledge of the nonlinear physical layers' properties. We show that our method outperforms state-of-the-art hardware-aware training methods by improving training speed, decreasing digital computations, and reducing power consumption in physical systems. We demonstrate the adaptability of the proposed method, even in systems exposed to dynamic or unpredictable external perturbations. To showcase the universality of our approach, we train diverse wave-based physical neural networks that vary in the underlying wave phenomenon and the type of non-linearity they use, to perform vowel and image classification tasks experimentally.

We investigate the learning of implicit neural representation (INR) using an overparameterized multilayer perceptron (MLP) via a novel nonparametric teaching perspective. The latter offers an efficient example selection framework for teaching nonparametrically defined (viz. non-closed-form) target functions, such as image functions defined by 2D grids of pixels. To address the costly training of INRs, we propose a paradigm called Implicit Neural Teaching (INT) that treats INR learning as a nonparametric teaching problem, where the given signal being fitted serves as the target function. The teacher then selects signal fragments for iterative training of the MLP to achieve fast convergence. By establishing a connection between MLP evolution through parameter-based gradient descent and that of function evolution through functional gradient descent in nonparametric teaching, we show for the first time that teaching an overparameterized MLP is consistent with teaching a nonparametric learner. This new discovery readily permits a convenient drop-in of nonparametric teaching algorithms to broadly enhance INR training efficiency, demonstrating 30%+ training time savings across various input modalities.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

As the quality of large language models has improved, there has been increased interest in using them to model non-linguistic tokens. For example, the Decision Transformer recasts agentic decision making as a sequence modeling problem, using a decoder-only LLM to model the distribution over the discrete action space for an Atari agent. However, when adapting LLMs to non-linguistic domains, it remains unclear if softmax over discrete bins captures the continuous structure of the tokens and the potentially complex distributions needed for high quality token generation. We introduce a neural network layer, constructed using Fourier series, which we can easily substitute for any linear layer if we want the outputs to have a more continuous structure. We perform extensive analysis on synthetic datasets, as well as on large-scale decision making and time series forecasting tasks. We also provide theoretical evidence that this layer can better learn signal from data while ignoring high-frequency noise. All of our results support the effectiveness of our proposed Fourier head in scenarios where the underlying data distribution has a natural continuous structure. For example, the Fourier head improves a Decision Transformer agent's returns by 46% on the Atari Seaquest game, and increases a state-of-the-art times series foundation model's forecasting performance by 3.5% across 20 benchmarks unseen during training.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

We create a reusable Transformer, BrainBERT, for intracranial recordings bringing modern representation learning approaches to neuroscience. Much like in NLP and speech recognition, this Transformer enables classifying complex concepts, i.e., decoding neural data, with higher accuracy and with much less data by being pretrained in an unsupervised manner on a large corpus of unannotated neural recordings. Our approach generalizes to new subjects with electrodes in new positions and to unrelated tasks showing that the representations robustly disentangle the neural signal. Just like in NLP where one can study language by investigating what a language model learns, this approach opens the door to investigating the brain by what a model of the brain learns. As a first step along this path, we demonstrate a new analysis of the intrinsic dimensionality of the computations in different areas of the brain. To construct these representations, we combine a technique for producing super-resolution spectrograms of neural data with an approach designed for generating contextual representations of audio by masking. In the future, far more concepts will be decodable from neural recordings by using representation learning, potentially unlocking the brain like language models unlocked language.

We consider dense, associative neural-networks trained with no supervision and we investigate their computational capabilities analytically, via a statistical-mechanics approach, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as the quality and quantity of the training dataset and the network storage, valid in the limit of large network size and structureless datasets. Moreover, we establish a bridge between macroscopic observables standardly used in statistical mechanics and loss functions typically used in the machine learning. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate neural networks in general.

This paper explores the task of translating natural language queries into regular expressions which embody their meaning. In contrast to prior work, the proposed neural model does not utilize domain-specific crafting, learning to translate directly from a parallel corpus. To fully explore the potential of neural models, we propose a methodology for collecting a large corpus of regular expression, natural language pairs. Our resulting model achieves a performance gain of 19.6% over previous state-of-the-art models.

Neural fields, which represent signals as a function parameterized by a neural network, are a promising alternative to traditional discrete vector or grid-based representations. Compared to discrete representations, neural representations both scale well with increasing resolution, are continuous, and can be many-times differentiable. However, given a dataset of signals that we would like to represent, having to optimize a separate neural field for each signal is inefficient, and cannot capitalize on shared information or structures among signals. Existing generalization methods view this as a meta-learning problem and employ gradient-based meta-learning to learn an initialization which is then fine-tuned with test-time optimization, or learn hypernetworks to produce the weights of a neural field. We instead propose a new paradigm that views the large-scale training of neural representations as a part of a partially-observed neural process framework, and leverage neural process algorithms to solve this task. We demonstrate that this approach outperforms both state-of-the-art gradient-based meta-learning approaches and hypernetwork approaches.

Depth is the hallmark of deep neural networks. But more depth means more sequential computation and higher latency. This begs the question -- is it possible to build high-performing "non-deep" neural networks? We show that it is. To do so, we use parallel subnetworks instead of stacking one layer after another. This helps effectively reduce depth while maintaining high performance. By utilizing parallel substructures, we show, for the first time, that a network with a depth of just 12 can achieve top-1 accuracy over 80% on ImageNet, 96% on CIFAR10, and 81% on CIFAR100. We also show that a network with a low-depth (12) backbone can achieve an AP of 48% on MS-COCO. We analyze the scaling rules for our design and show how to increase performance without changing the network's depth. Finally, we provide a proof of concept for how non-deep networks could be used to build low-latency recognition systems. Code is available at https://github.com/imankgoyal/NonDeepNetworks.

There is an analogy that is often made between deep neural networks and actual brains, suggested by the nomenclature itself: the "neurons" in deep neural networks should correspond to neurons (or nerve cells, to avoid confusion) in the brain. We claim, however, that this analogy doesn't even type check: it is structurally flawed. In agreement with the slightly glib summary of Hebbian learning as "cells that fire together wire together", this article makes the case that the analogy should be different. Since the "neurons" in deep neural networks are managing the changing weights, they are more akin to the synapses in the brain; instead, it is the wires in deep neural networks that are more like nerve cells, in that they are what cause the information to flow. An intuition that nerve cells seem like more than mere wires is exactly right, and is justified by a precise category-theoretic analogy which we will explore in this article. Throughout, we will continue to highlight the error in equating artificial neurons with nerve cells by leaving "neuron" in quotes or by calling them artificial neurons. We will first explain how to view deep neural networks as nested dynamical systems with a very restricted sort of interaction pattern, and then explain a more general sort of interaction for dynamical systems that is useful throughout engineering, but which fails to adapt to changing circumstances. As mentioned, an analogy is then forced upon us by the mathematical formalism in which they are both embedded. We call the resulting encompassing generalization deeply interacting learning systems: they have complex interaction as in control theory, but adaptation to circumstances as in deep neural networks.

Self-supervised speech representations have been shown to be effective in a variety of speech applications. However, existing representation learning methods generally rely on the autoregressive model and/or observed global dependencies while generating the representation. In this work, we propose Non-Autoregressive Predictive Coding (NPC), a self-supervised method, to learn a speech representation in a non-autoregressive manner by relying only on local dependencies of speech. NPC has a conceptually simple objective and can be implemented easily with the introduced Masked Convolution Blocks. NPC offers a significant speedup for inference since it is parallelizable in time and has a fixed inference time for each time step regardless of the input sequence length. We discuss and verify the effectiveness of NPC by theoretically and empirically comparing it with other methods. We show that the NPC representation is comparable to other methods in speech experiments on phonetic and speaker classification while being more efficient.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Neural scaling laws (NSL) refer to the phenomenon where model performance improves with scale. Sharma & Kaplan analyzed NSL using approximation theory and predict that MSE losses decay as N^{-alpha}, alpha=4/d, where N is the number of model parameters, and d is the intrinsic input dimension. Although their theory works well for some cases (e.g., ReLU networks), we surprisingly find that a simple 1D problem y=x^2 manifests a different scaling law (alpha=1) from their predictions (alpha=4). We opened the neural networks and found that the new scaling law originates from lottery ticket ensembling: a wider network on average has more "lottery tickets", which are ensembled to reduce the variance of outputs. We support the ensembling mechanism by mechanistically interpreting single neural networks, as well as studying them statistically. We attribute the N^{-1} scaling law to the "central limit theorem" of lottery tickets. Finally, we discuss its potential implications for large language models and statistical physics-type theories of learning.

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. A simpler recently proposed approach to accelerate training is to use Adam for most of the optimization steps and periodically, only every few steps, nowcast (predict future) parameters. We improve this approach by Neuron interaction and Nowcasting (NiNo) networks. NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters by learning in a supervised way from a set of training trajectories over multiple tasks. We show that in some networks, such as Transformers, neuron connectivity is non-trivial. By accurately modeling neuron connectivity, we allow NiNo to accelerate Adam training by up to 50\% in vision and language tasks.

Large-scale pretrained language models (LMs) are said to ``lack the ability to connect utterances to the world'' (Bender and Koller, 2020), because they do not have ``mental models of the world' '(Mitchell and Krakauer, 2023). If so, one would expect LM representations to be unrelated to representations induced by vision models. We present an empirical evaluation across four families of LMs (BERT, GPT-2, OPT and LLaMA-2) and three vision model architectures (ResNet, SegFormer, and MAE). Our experiments show that LMs partially converge towards representations isomorphic to those of vision models, subject to dispersion, polysemy and frequency. This has important implications for both multi-modal processing and the LM understanding debate (Mitchell and Krakauer, 2023).

Non-exemplar class-incremental learning is to recognize both the old and new classes when old class samples cannot be saved. It is a challenging task since representation optimization and feature retention can only be achieved under supervision from new classes. To address this problem, we propose a novel self-sustaining representation expansion scheme. Our scheme consists of a structure reorganization strategy that fuses main-branch expansion and side-branch updating to maintain the old features, and a main-branch distillation scheme to transfer the invariant knowledge. Furthermore, a prototype selection mechanism is proposed to enhance the discrimination between the old and new classes by selectively incorporating new samples into the distillation process. Extensive experiments on three benchmarks demonstrate significant incremental performance, outperforming the state-of-the-art methods by a margin of 3%, 3% and 6%, respectively.

We introduce a neural network with a recurrent attention model over a possibly large external memory. The architecture is a form of Memory Network (Weston et al., 2015) but unlike the model in that work, it is trained end-to-end, and hence requires significantly less supervision during training, making it more generally applicable in realistic settings. It can also be seen as an extension of RNNsearch to the case where multiple computational steps (hops) are performed per output symbol. The flexibility of the model allows us to apply it to tasks as diverse as (synthetic) question answering and to language modeling. For the former our approach is competitive with Memory Networks, but with less supervision. For the latter, on the Penn TreeBank and Text8 datasets our approach demonstrates comparable performance to RNNs and LSTMs. In both cases we show that the key concept of multiple computational hops yields improved results.

We analyze a family of large language models in such a lightweight manner that can be done on a single GPU. Specifically, we focus on the OPT family of models ranging from 125m to 66b parameters and rely only on whether an FFN neuron is activated or not. First, we find that the early part of the network is sparse and represents many discrete features. Here, many neurons (more than 70% in some layers of the 66b model) are "dead", i.e. they never activate on a large collection of diverse data. At the same time, many of the alive neurons are reserved for discrete features and act as token and n-gram detectors. Interestingly, their corresponding FFN updates not only promote next token candidates as could be expected, but also explicitly focus on removing the information about triggering them tokens, i.e., current input. To the best of our knowledge, this is the first example of mechanisms specialized at removing (rather than adding) information from the residual stream. With scale, models become more sparse in a sense that they have more dead neurons and token detectors. Finally, some neurons are positional: them being activated or not depends largely (or solely) on position and less so (or not at all) on textual data. We find that smaller models have sets of neurons acting as position range indicators while larger models operate in a less explicit manner.

Training neural networks involves solving large-scale non-convex optimization problems. This task has long been believed to be extremely difficult, with fear of local minima and other obstacles motivating a variety of schemes to improve optimization, such as unsupervised pretraining. However, modern neural networks are able to achieve negligible training error on complex tasks, using only direct training with stochastic gradient descent. We introduce a simple analysis technique to look for evidence that such networks are overcoming local optima. We find that, in fact, on a straight path from initialization to solution, a variety of state of the art neural networks never encounter any significant obstacles.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

This paper reports the first brain-inspired large language model (BriLLM). This is a non-Transformer, non-GPT, non-traditional machine learning input-output controlled generative language model. The model is based on the Signal Fully-connected flowing (SiFu) definition on the directed graph in terms of the neural network, and has the interpretability of all nodes on the graph of the whole model, instead of the traditional machine learning model that only has limited interpretability at the input and output ends. In the language model scenario, the token is defined as a node in the graph. A randomly shaped or user-defined signal flow flows between nodes on the principle of "least resistance" along paths. The next token or node to be predicted or generated is the target of the signal flow. As a language model, BriLLM theoretically supports infinitely long n-gram models when the model size is independent of the input and predicted length of the model. The model's working signal flow provides the possibility of recall activation and innate multi-modal support similar to the cognitive patterns of the human brain. At present, we released the first BriLLM version in Chinese, with 4000 tokens, 32-dimensional node width, 16-token long sequence prediction ability, and language model prediction performance comparable to GPT-1. More computing power will help us explore the infinite possibilities depicted above.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

This study introduces BrainTransformers, an innovative Large Language Model (LLM) implemented using Spiking Neural Networks (SNN). Our key contributions include: (1) designing SNN-compatible Transformer components such as SNNMatmul, SNNSoftmax, and SNNSiLU; (2) implementing an SNN approximation of the SiLU activation function; and (3) developing a Synapsis module to simulate synaptic plasticity. Our 3-billion parameter model, BrainTransformers-3B-Chat, demonstrates competitive performance across various benchmarks, including MMLU (63.2), BBH (54.1), ARC-C (54.3), and GSM8K (76.3), while potentially offering improved energy efficiency and biological plausibility. The model employs a three-stage training approach, including SNN-specific neuronal synaptic plasticity training. This research opens new avenues for brain-like AI systems in natural language processing and neuromorphic computing. Future work will focus on hardware optimization, developing specialized SNN fine-tuning tools, and exploring practical applications in energy-efficient computing environments.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

The recent proliferation of research into transformer based natural language processing has led to a number of studies which attempt to detect the presence of human-like cognitive behavior in the models. We contend that, as is true of human psychology, the investigation of cognitive behavior in language models must be conducted in an appropriate population of an appropriate size for the results to be meaningful. We leverage work in uncertainty estimation in a novel approach to efficiently construct experimental populations. The resultant tool, PopulationLM, has been made open source. We provide theoretical grounding in the uncertainty estimation literature and motivation from current cognitive work regarding language models. We discuss the methodological lessons from other scientific communities and attempt to demonstrate their application to two artificial population studies. Through population based experimentation we find that language models exhibit behavior consistent with typicality effects among categories highly represented in training. However, we find that language models don't tend to exhibit structural priming effects. Generally, our results show that single models tend to over estimate the presence of cognitive behaviors in neural models.

This paper introduces a neural model for concept-to-text generation that scales to large, rich domains. We experiment with a new dataset of biographies from Wikipedia that is an order of magnitude larger than existing resources with over 700k samples. The dataset is also vastly more diverse with a 400k vocabulary, compared to a few hundred words for Weathergov or Robocup. Our model builds upon recent work on conditional neural language model for text generation. To deal with the large vocabulary, we extend these models to mix a fixed vocabulary with copy actions that transfer sample-specific words from the input database to the generated output sentence. Our neural model significantly out-performs a classical Kneser-Ney language model adapted to this task by nearly 15 BLEU.

The ability to learn tasks in a sequential fashion is crucial to the development of artificial intelligence. Neural networks are not, in general, capable of this and it has been widely thought that catastrophic forgetting is an inevitable feature of connectionist models. We show that it is possible to overcome this limitation and train networks that can maintain expertise on tasks which they have not experienced for a long time. Our approach remembers old tasks by selectively slowing down learning on the weights important for those tasks. We demonstrate our approach is scalable and effective by solving a set of classification tasks based on the MNIST hand written digit dataset and by learning several Atari 2600 games sequentially.

In recent years, Transformers have become the de-facto architecture for sequence modeling on text and a variety of multi-dimensional data, such as images and video. However, the use of self-attention layers in a Transformer incurs prohibitive compute and memory complexity that scales quadratically w.r.t. the sequence length. A recent architecture, Mamba, based on state space models has been shown to achieve comparable performance for modeling text sequences, while scaling linearly with the sequence length. In this work, we present Mamba-ND, a generalized design extending the Mamba architecture to arbitrary multi-dimensional data. Our design alternatively unravels the input data across different dimensions following row-major orderings. We provide a systematic comparison of Mamba-ND with several other alternatives, based on prior multi-dimensional extensions such as Bi-directional LSTMs and S4ND. Empirically, we show that Mamba-ND demonstrates performance competitive with the state-of-the-art on a variety of multi-dimensional benchmarks, including ImageNet-1K classification, HMDB-51 action recognition, and ERA5 weather forecasting.

The neural Hawkes process (Mei & Eisner, 2017) is a generative model of irregularly spaced sequences of discrete events. To handle complex domains with many event types, Mei et al. (2020a) further consider a setting in which each event in the sequence updates a deductive database of facts (via domain-specific pattern-matching rules); future events are then conditioned on the database contents. They show how to convert such a symbolic system into a neuro-symbolic continuous-time generative model, in which each database fact and the possible event has a time-varying embedding that is derived from its symbolic provenance. In this paper, we modify both models, replacing their recurrent LSTM-based architectures with flatter attention-based architectures (Vaswani et al., 2017), which are simpler and more parallelizable. This does not appear to hurt our accuracy, which is comparable to or better than that of the original models as well as (where applicable) previous attention-based methods (Zuo et al., 2020; Zhang et al., 2020a).

Transfer learning has recently shown significant performance across various tasks involving deep neural networks. In these transfer learning scenarios, the prior distribution for downstream data becomes crucial in Bayesian model averaging (BMA). While previous works proposed the prior over the neural network parameters centered around the pre-trained solution, such strategies have limitations when dealing with distribution shifts between upstream and downstream data. This paper introduces nonparametric transfer learning (NPTL), a flexible posterior sampling method to address the distribution shift issue within the context of nonparametric learning. The nonparametric learning (NPL) method is a recent approach that employs a nonparametric prior for posterior sampling, efficiently accounting for model misspecification scenarios, which is suitable for transfer learning scenarios that may involve the distribution shift between upstream and downstream tasks. Through extensive empirical validations, we demonstrate that our approach surpasses other baselines in BMA performance.

Human observers can learn to recognize new categories of images from a handful of examples, yet doing so with artificial ones remains an open challenge. We hypothesize that data-efficient recognition is enabled by representations which make the variability in natural signals more predictable. We therefore revisit and improve Contrastive Predictive Coding, an unsupervised objective for learning such representations. This new implementation produces features which support state-of-the-art linear classification accuracy on the ImageNet dataset. When used as input for non-linear classification with deep neural networks, this representation allows us to use 2-5x less labels than classifiers trained directly on image pixels. Finally, this unsupervised representation substantially improves transfer learning to object detection on the PASCAL VOC dataset, surpassing fully supervised pre-trained ImageNet classifiers.

Language is typically modelled with discrete sequences. However, the most successful approaches to language modelling, namely neural networks, are continuous and smooth function approximators. In this work, we show that Transformer-based language models implicitly learn to represent sentences as continuous-time functions defined over a continuous input space. This phenomenon occurs in most state-of-the-art Large Language Models (LLMs), including Llama2, Llama3, Phi3, Gemma, Gemma2, and Mistral, and suggests that LLMs reason about language in ways that fundamentally differ from humans. Our work formally extends Transformers to capture the nuances of time and space continuity in both input and output space. Our results challenge the traditional interpretation of how LLMs understand language, with several linguistic and engineering implications.

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

Traveling waves of neural activity have been observed throughout the brain at a diversity of regions and scales; however, their precise computational role is still debated. One physically inspired hypothesis suggests that the cortical sheet may act like a wave-propagating system capable of invertibly storing a short-term memory of sequential stimuli through induced waves traveling across the cortical surface, and indeed many experimental results from neuroscience correlate wave activity with memory tasks. To date, however, the computational implications of this idea have remained hypothetical due to the lack of a simple recurrent neural network architecture capable of exhibiting such waves. In this work, we introduce a model to fill this gap, which we denote the Wave-RNN (wRNN), and demonstrate how such an architecture indeed efficiently encodes the recent past through a suite of synthetic memory tasks where wRNNs learn faster and reach significantly lower error than wave-free counterparts. We further explore the implications of this memory storage system on more complex sequence modeling tasks such as sequential image classification and find that wave-based models not only again outperform comparable wave-free RNNs while using significantly fewer parameters, but additionally perform comparably to more complex gated architectures such as LSTMs and GRUs.

The weight matrix (WM) of a neural network (NN) is its program. The programs of many traditional NNs are learned through gradient descent in some error function, then remain fixed. The WM of a self-referential NN, however, can keep rapidly modifying all of itself during runtime. In principle, such NNs can meta-learn to learn, and meta-meta-learn to meta-learn to learn, and so on, in the sense of recursive self-improvement. While NN architectures potentially capable of implementing such behaviour have been proposed since the '90s, there have been few if any practical studies. Here we revisit such NNs, building upon recent successes of fast weight programmers and closely related linear Transformers. We propose a scalable self-referential WM (SRWM) that learns to use outer products and the delta update rule to modify itself. We evaluate our SRWM in supervised few-shot learning and in multi-task reinforcement learning with procedurally generated game environments. Our experiments demonstrate both practical applicability and competitive performance of the proposed SRWM. Our code is public.

In recent years, the community of 'explainable artificial intelligence' (XAI) has created a vast body of methods to bridge a perceived gap between model 'complexity' and 'interpretability'. However, a concrete problem to be solved by XAI methods has not yet been formally stated. As a result, XAI methods are lacking theoretical and empirical evidence for the 'correctness' of their explanations, limiting their potential use for quality-control and transparency purposes. At the same time, Haufe et al. (2014) showed, using simple toy examples, that even standard interpretations of linear models can be highly misleading. Specifically, high importance may be attributed to so-called suppressor variables lacking any statistical relation to the prediction target. This behavior has been confirmed empirically for a large array of XAI methods in Wilming et al. (2022). Here, we go one step further by deriving analytical expressions for the behavior of a variety of popular XAI methods on a simple two-dimensional binary classification problem involving Gaussian class-conditional distributions. We show that the majority of the studied approaches will attribute non-zero importance to a non-class-related suppressor feature in the presence of correlated noise. This poses important limitations on the interpretations and conclusions that the outputs of these XAI methods can afford.

We interpret the function of individual neurons in CLIP by automatically describing them using text. Analyzing the direct effects (i.e. the flow from a neuron through the residual stream to the output) or the indirect effects (overall contribution) fails to capture the neurons' function in CLIP. Therefore, we present the "second-order lens", analyzing the effect flowing from a neuron through the later attention heads, directly to the output. We find that these effects are highly selective: for each neuron, the effect is significant for <2% of the images. Moreover, each effect can be approximated by a single direction in the text-image space of CLIP. We describe neurons by decomposing these directions into sparse sets of text representations. The sets reveal polysemantic behavior - each neuron corresponds to multiple, often unrelated, concepts (e.g. ships and cars). Exploiting this neuron polysemy, we mass-produce "semantic" adversarial examples by generating images with concepts spuriously correlated to the incorrect class. Additionally, we use the second-order effects for zero-shot segmentation and attribute discovery in images. Our results indicate that a scalable understanding of neurons can be used for model deception and for introducing new model capabilities.

Despite being the workhorse of deep learning, the backpropagation algorithm is no panacea. It enforces sequential layer updates, thus preventing efficient parallelization of the training process. Furthermore, its biological plausibility is being challenged. Alternative schemes have been devised; yet, under the constraint of synaptic asymmetry, none have scaled to modern deep learning tasks and architectures. Here, we challenge this perspective, and study the applicability of Direct Feedback Alignment to neural view synthesis, recommender systems, geometric learning, and natural language processing. In contrast with previous studies limited to computer vision tasks, our findings show that it successfully trains a large range of state-of-the-art deep learning architectures, with performance close to fine-tuned backpropagation. At variance with common beliefs, our work supports that challenging tasks can be tackled in the absence of weight transport.

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

Convolutional neural networks (CNN) are built upon the classical McCulloch-Pitts neuron model, which is essentially a linear model, where the nonlinearity is provided by a separate activation function. Several researchers have proposed enhanced neuron models, including quadratic neurons, generalized operational neurons, generative neurons, and super neurons, with stronger nonlinearity than that provided by the pointwise activation function. There has also been a proposal to use Pade approximation as a generalized activation function. In this paper, we introduce a brand new neuron model called Pade neurons (Paons), inspired by the Pade approximants, which is the best mathematical approximation of a transcendental function as a ratio of polynomials with different orders. We show that Paons are a super set of all other proposed neuron models. Hence, the basic neuron in any known CNN model can be replaced by Paons. In this paper, we extend the well-known ResNet to PadeNet (built by Paons) to demonstrate the concept. Our experiments on the single-image super-resolution task show that PadeNets can obtain better results than competing architectures.

A Neural Process (NP) estimates a stochastic process implicitly defined with neural networks given a stream of data, rather than pre-specifying priors already known, such as Gaussian processes. An ideal NP would learn everything from data without any inductive biases, but in practice, we often restrict the class of stochastic processes for the ease of estimation. One such restriction is the use of a finite-dimensional latent variable accounting for the uncertainty in the functions drawn from NPs. Some recent works show that this can be improved with more "data-driven" source of uncertainty such as bootstrapping. In this work, we take a different approach based on the martingale posterior, a recently developed alternative to Bayesian inference. For the martingale posterior, instead of specifying prior-likelihood pairs, a predictive distribution for future data is specified. Under specific conditions on the predictive distribution, it can be shown that the uncertainty in the generated future data actually corresponds to the uncertainty of the implicitly defined Bayesian posteriors. Based on this result, instead of assuming any form of the latent variables, we equip a NP with a predictive distribution implicitly defined with neural networks and use the corresponding martingale posteriors as the source of uncertainty. The resulting model, which we name as Martingale Posterior Neural Process (MPNP), is demonstrated to outperform baselines on various tasks.

As AI model size grows, neural scaling laws have become a crucial tool to predict the improvements of large models when increasing capacity and the size of original (human or natural) training data. Yet, the widespread use of popular models means that the ecosystem of online data and text will co-evolve to progressively contain increased amounts of synthesized data. In this paper we ask: How will the scaling laws change in the inevitable regime where synthetic data makes its way into the training corpus? Will future models, still improve, or be doomed to degenerate up to total (model) collapse? We develop a theoretical framework of model collapse through the lens of scaling laws. We discover a wide range of decay phenomena, analyzing loss of scaling, shifted scaling with number of generations, the ''un-learning" of skills, and grokking when mixing human and synthesized data. Our theory is validated by large-scale experiments with a transformer on an arithmetic task and text generation using the large language model Llama2.

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

In this paper, we construct a mixture of neural operators (MoNOs) between function spaces whose complexity is distributed over a network of expert neural operators (NOs), with each NO satisfying parameter scaling restrictions. Our main result is a distributed universal approximation theorem guaranteeing that any Lipschitz non-linear operator between L^2([0,1]^d) spaces can be approximated uniformly over the Sobolev unit ball therein, to any given varepsilon>0 accuracy, by an MoNO while satisfying the constraint that: each expert NO has a depth, width, and rank of O(varepsilon^{-1}). Naturally, our result implies that the required number of experts must be large, however, each NO is guaranteed to be small enough to be loadable into the active memory of most computers for reasonable accuracies varepsilon. During our analysis, we also obtain new quantitative expression rates for classical NOs approximating uniformly continuous non-linear operators uniformly on compact subsets of L^2([0,1]^d).

In order to understand the in-context learning phenomenon, recent works have adopted a stylized experimental framework and demonstrated that Transformers can learn gradient-based learning algorithms for various classes of real-valued functions. However, the limitations of Transformers in implementing learning algorithms, and their ability to learn other forms of algorithms are not well understood. Additionally, the degree to which these capabilities are confined to attention-based models is unclear. Furthermore, it remains to be seen whether the insights derived from these stylized settings can be extrapolated to pretrained Large Language Models (LLMs). In this work, we take a step towards answering these questions by demonstrating the following: (a) On a test-bed with a variety of Boolean function classes, we find that Transformers can nearly match the optimal learning algorithm for 'simpler' tasks, while their performance deteriorates on more 'complex' tasks. Additionally, we find that certain attention-free models perform (almost) identically to Transformers on a range of tasks. (b) When provided a teaching sequence, i.e. a set of examples that uniquely identifies a function in a class, we show that Transformers learn more sample-efficiently. Interestingly, our results show that Transformers can learn to implement two distinct algorithms to solve a single task, and can adaptively select the more sample-efficient algorithm depending on the sequence of in-context examples. (c) Lastly, we show that extant LLMs, e.g. LLaMA-2, GPT-4, can compete with nearest-neighbor baselines on prediction tasks that are guaranteed to not be in their training set.

Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by digital computers). Here we show that natural gradient descent (NGD), a second-order method, can have a similar computational complexity per iteration to a first-order method, when employing appropriate hardware. We present a new hybrid digital-analog algorithm for training neural networks that is equivalent to NGD in a certain parameter regime but avoids prohibitively costly linear system solves. Our algorithm exploits the thermodynamic properties of an analog system at equilibrium, and hence requires an analog thermodynamic computer. The training occurs in a hybrid digital-analog loop, where the gradient and Fisher information matrix (or any other positive semi-definite curvature matrix) are calculated at given time intervals while the analog dynamics take place. We numerically demonstrate the superiority of this approach over state-of-the-art digital first- and second-order training methods on classification tasks and language model fine-tuning tasks.

Prior studies on the emergence in large models have primarily focused on how the functional capabilities of large language models (LLMs) scale with model size. Our research, however, transcends this traditional paradigm, aiming to deepen our understanding of the emergence within LLMs by placing a special emphasis not just on the model size but more significantly on the complex behavior of neuron interactions during the training process. By introducing the concepts of "self-organization" and "multifractal analysis," we explore how neuron interactions dynamically evolve during training, leading to "emergence," mirroring the phenomenon in natural systems where simple micro-level interactions give rise to complex macro-level behaviors. To quantitatively analyze the continuously evolving interactions among neurons in large models during training, we propose the Neuron-based Multifractal Analysis (NeuroMFA). Utilizing NeuroMFA, we conduct a comprehensive examination of the emergent behavior in LLMs through the lens of both model size and training process, paving new avenues for research into the emergence in large models.

Alternatives to backpropagation have long been studied to better understand how biological brains may learn. Recently, they have also garnered interest as a way to train neural networks more efficiently. By relaxing constraints inherent to backpropagation (e.g., symmetric feedforward and feedback weights, sequential updates), these methods enable promising prospects, such as local learning. However, the tradeoffs between different methods in terms of final task performance, convergence speed, and ultimately compute and data requirements are rarely outlined. In this work, we use scaling laws to study the ability of Direct Feedback Alignment~(DFA) to train causal decoder-only Transformers efficiently. Scaling laws provide an overview of the tradeoffs implied by a modeling decision, up to extrapolating how it might transfer to increasingly large models. We find that DFA fails to offer more efficient scaling than backpropagation: there is never a regime for which the degradation in loss incurred by using DFA is worth the potential reduction in compute budget. Our finding comes at variance with previous beliefs in the alternative training methods community, and highlights the need for holistic empirical approaches to better understand modeling decisions.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO.

Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show that autoencoder models implicitly define a latent vector field on the manifold, derived by iteratively applying the encoding-decoding map, without any additional training. We observe that standard training procedures introduce inductive biases that lead to the emergence of attractor points within this vector field. Drawing on this insight, we propose to leverage the vector field as a representation for the network, providing a novel tool to analyze the properties of the model and the data. This representation enables to: (i) analyze the generalization and memorization regimes of neural models, even throughout training; (ii) extract prior knowledge encoded in the network's parameters from the attractors, without requiring any input data; (iii) identify out-of-distribution samples from their trajectories in the vector field. We further validate our approach on vision foundation models, showcasing the applicability and effectiveness of our method in real-world scenarios.

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that represent tabular time series that can optionally leverage their hierarchical structure. This results in two architectures for tabular time series: one for learning representations that is analogous to BERT and can be pre-trained end-to-end and used in downstream tasks, and one that is akin to GPT and can be used for generation of realistic synthetic tabular sequences. We demonstrate our models on two datasets: a synthetic credit card transaction dataset, where the learned representations are used for fraud detection and synthetic data generation, and on a real pollution dataset, where the learned encodings are used to predict atmospheric pollutant concentrations. Code and data are available at https://github.com/IBM/TabFormer.

Memory is one of the most essential cognitive functions serving as a repository of world knowledge and episodes of activities. In recent years, large-scale pre-trained language models have shown remarkable memorizing ability. On the contrary, vanilla neural networks without pre-training have been long observed suffering from the catastrophic forgetting problem. To investigate such a retentive-forgetful contradiction and understand the memory mechanism of language models, we conduct thorough experiments by controlling the target knowledge types, the learning strategies and the learning schedules. We find that: 1) Vanilla language models are forgetful; 2) Pre-training leads to retentive language models; 3) Knowledge relevance and diversification significantly influence the memory formation. These conclusions are useful for understanding the abilities of pre-trained language models and shed light on designing and evaluating new learning and inference algorithms of language models.

The approximation capability of ANNs and their RNN instantiations, is strongly correlated with the number of parameters packed into these networks. However, the complexity barrier for human understanding, is arguably related to the number of neurons and synapses in the networks, and to the associated nonlinear transformations. In this paper we show that the use of biophysical synapses, as found in LTCs, have two main benefits. First, they allow to pack more parameters for a given number of neurons and synapses. Second, they allow to formulate the nonlinear-network transformation, as a linear system with state-dependent coefficients. Both increase interpretability, as for a given task, they allow to learn a system linear in its input features, that is smaller in size compared to the state of the art. We substantiate the above claims on various time-series prediction tasks, but we believe that our results are applicable to any feedforward or recurrent ANN.

We present Banyan, a model that efficiently learns semantic representations by leveraging explicit hierarchical structure. While transformers excel at scale, they struggle in low-resource settings. Conversely recent structured models have shown promise as efficient learners, but lack performance. Banyan bridges this gap with two key innovations: an entangled hierarchical tree structure and diagonalized message passing, enabling it to outperform larger transformer models with just 14 non-embedding parameters. It excels in low-resource settings, offering a viable alternative for under-represented languages and highlighting its potential for efficient, interpretable NLP in resource-constrained environments.

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

Multiplications are responsible for most of the computational cost involved in neural network training and inference. Recent research has thus looked for ways to reduce the cost associated with them. Inspired by Mogami (2020), we replace multiplication with a cheap piecewise affine approximation that is achieved by adding the bit representation of the floating point numbers together as integers. We show that transformers can be trained with the resulting modified matrix multiplications on both vision and language tasks with little to no performance impact, and without changes to the training hyperparameters. We further replace all non-linearities in the networks making them fully and jointly piecewise affine in both inputs and weights. Finally, we show that we can eliminate all multiplications in the entire training process, including operations in the forward pass, backward pass and optimizer update, demonstrating the first successful training of modern neural network architectures in a fully multiplication-free fashion.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

We introduce RecurrentGemma, an open language model which uses Google's novel Griffin architecture. Griffin combines linear recurrences with local attention to achieve excellent performance on language. It has a fixed-sized state, which reduces memory use and enables efficient inference on long sequences. We provide a pre-trained model with 2B non-embedding parameters, and an instruction tuned variant. Both models achieve comparable performance to Gemma-2B despite being trained on fewer tokens.

Neural networks have a reputation for being better at solving statistical or approximate problems than at performing calculations or working with symbolic data. In this paper, we show that they can be surprisingly good at more elaborated tasks in mathematics, such as symbolic integration and solving differential equations. We propose a syntax for representing mathematical problems, and methods for generating large datasets that can be used to train sequence-to-sequence models. We achieve results that outperform commercial Computer Algebra Systems such as Matlab or Mathematica.

Chaotic systems are intrinsically sensitive to small errors, challenging efforts to construct predictive data-driven models of real-world dynamical systems such as fluid flows or neuronal activity. Prior efforts comprise either specialized models trained separately on individual time series, or foundation models trained on vast time series databases with little underlying dynamical structure. Motivated by dynamical systems theory, we present Panda, Patched Attention for Nonlinear DynAmics. We train Panda on a novel synthetic, extensible dataset of 2 times 10^4 chaotic dynamical systems that we discover using an evolutionary algorithm. Trained purely on simulated data, Panda exhibits emergent properties: zero-shot forecasting of unseen real world chaotic systems, and nonlinear resonance patterns in cross-channel attention heads. Despite having been trained only on low-dimensional ordinary differential equations, Panda spontaneously develops the ability to predict partial differential equations without retraining. We demonstrate a neural scaling law for differential equations, underscoring the potential of pretrained models for probing abstract mathematical domains like nonlinear dynamics.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

The problem of automatically generating a computer program from some specification has been studied since the early days of AI. Recently, two competing approaches for automatic program learning have received significant attention: (1) neural program synthesis, where a neural network is conditioned on input/output (I/O) examples and learns to generate a program, and (2) neural program induction, where a neural network generates new outputs directly using a latent program representation. Here, for the first time, we directly compare both approaches on a large-scale, real-world learning task. We additionally contrast to rule-based program synthesis, which uses hand-crafted semantics to guide the program generation. Our neural models use a modified attention RNN to allow encoding of variable-sized sets of I/O pairs. Our best synthesis model achieves 92% accuracy on a real-world test set, compared to the 34% accuracy of the previous best neural synthesis approach. The synthesis model also outperforms a comparable induction model on this task, but we more importantly demonstrate that the strength of each approach is highly dependent on the evaluation metric and end-user application. Finally, we show that we can train our neural models to remain very robust to the type of noise expected in real-world data (e.g., typos), while a highly-engineered rule-based system fails entirely.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

Instruction tuning improves the ability of large language models (LLMs) to follow diverse human instructions, but achieving strong performance on specific target tasks remains challenging. A critical bottleneck is selecting the most relevant data to maximize task-specific performance. Existing data selection approaches include unstable influence-based methods and more stable distribution alignment methods, the latter of which critically rely on the underlying sample representation. In practice, most distribution alignment methods, from shallow features (e.g., BM25) to neural embeddings (e.g., BGE, LLM2Vec), may fail to capture how the model internally processes samples. To bridge this gap, we adopt a model-centric strategy in which each sample is represented by its neuronal activation pattern in the model, directly reflecting internal computation. However, directly using raw neuron activations leads to spurious similarity between unrelated samples due to neuron polysemanticity, where a single neuron may respond to multiple, unrelated concepts. To address this, we employ sparse autoencoders to disentangle polysemantic activations into sparse, monosemantic representations, and introduce a dedicated similarity metric for this space to better identify task-relevant data. Comprehensive experiments across multiple instruction datasets, models, tasks, and selection ratios show that our approach consistently outperforms existing data selection baselines in both stability and task-specific performance.

Decoder-based transformers, while revolutionizing language modeling and scaling to immense sizes, have not completely overtaken encoder-heavy architectures in natural language processing. Specifically, encoder-only models remain dominant in tasks like classification, regression, and ranking. This is primarily due to the inherent structure of decoder-based models, which limits their direct applicability to these tasks. In this paper, we introduce Gemma Encoder, adapting the powerful Gemma decoder model to an encoder architecture, thereby unlocking its potential for a wider range of non-generative applications. To optimize the adaptation from decoder to encoder, we systematically analyze various pooling strategies, attention mechanisms, and hyperparameters (e.g., dropout rate). Furthermore, we benchmark Gemma Encoder against established approaches on the GLUE benchmarks, and MS MARCO ranking benchmark, demonstrating its effectiveness and versatility.

Non-autoregressive (nAR) models for machine translation (MT) manifest superior decoding speed when compared to autoregressive (AR) models, at the expense of impaired fluency of their outputs. We improve the fluency of a nAR model with connectionist temporal classification (CTC) by employing additional features in the scoring model used during beam search decoding. Since the beam search decoding in our model only requires to run the network in a single forward pass, the decoding speed is still notably higher than in standard AR models. We train models for three language pairs: German, Czech, and Romanian from and into English. The results show that our proposed models can be more efficient in terms of decoding speed and still achieve a competitive BLEU score relative to AR models.

Neural networks are powerful and flexible models that work well for many difficult learning tasks in image, speech and natural language understanding. Despite their success, neural networks are still hard to design. In this paper, we use a recurrent network to generate the model descriptions of neural networks and train this RNN with reinforcement learning to maximize the expected accuracy of the generated architectures on a validation set. On the CIFAR-10 dataset, our method, starting from scratch, can design a novel network architecture that rivals the best human-invented architecture in terms of test set accuracy. Our CIFAR-10 model achieves a test error rate of 3.65, which is 0.09 percent better and 1.05x faster than the previous state-of-the-art model that used a similar architectural scheme. On the Penn Treebank dataset, our model can compose a novel recurrent cell that outperforms the widely-used LSTM cell, and other state-of-the-art baselines. Our cell achieves a test set perplexity of 62.4 on the Penn Treebank, which is 3.6 perplexity better than the previous state-of-the-art model. The cell can also be transferred to the character language modeling task on PTB and achieves a state-of-the-art perplexity of 1.214.