Daily Papers

Transformer models encounter challenges in scaling hidden dimensions efficiently, as uniformly increasing them inflates computational and memory costs while failing to emphasize the most relevant features for each token. For further understanding, we study hidden dimension sparsity and observe that trained Transformers utilize only a small fraction of token dimensions, revealing an "activation flow" pattern. Notably, there are shared sub-dimensions with sustained activation across multiple consecutive tokens and specialized sub-dimensions uniquely activated for each token. To better model token-relevant sub-dimensions, we propose MoHD (Mixture of Hidden Dimensions), a sparse conditional activation architecture. Particularly, MoHD employs shared sub-dimensions for common token features and a routing mechanism to dynamically activate specialized sub-dimensions. To mitigate potential information loss from sparsity, we design activation scaling and group fusion mechanisms to preserve activation flow. In this way, MoHD expands hidden dimensions with negligible increases in computation or parameters, efficient training and inference while maintaining performance. Evaluations across 10 NLP tasks show that MoHD surpasses Vanilla Transformers in parameter efficiency and task performance. It achieves 1.7% higher performance with 50% fewer activation parameters and 3.7% higher performance with a 3x parameter expansion at constant activation cost. MOHD offers a new perspective for scaling the model, showcasing the potential of hidden dimension sparsity to boost efficiency

Recent advances in language modeling consist in pretraining highly parameterized neural networks on extremely large web-mined text corpora. Training and inference with such models can be costly in practice, which incentivizes the use of smaller counterparts. However, it has been observed that smaller models can suffer from saturation, characterized as a drop in performance at some advanced point in training followed by a plateau. In this paper, we find that such saturation can be explained by a mismatch between the hidden dimension of smaller models and the high rank of the target contextual probability distribution. This mismatch affects the performance of the linear prediction head used in such models through the well-known softmax bottleneck phenomenon. We measure the effect of the softmax bottleneck in various settings and find that models based on less than 1000 hidden dimensions tend to adopt degenerate latent representations in late pretraining, which leads to reduced evaluation performance.

We embark on the age-old quest: unveiling the hidden dimensions of objects from mere glimpses of their visible parts. To address this, we present Vista3D, a framework that realizes swift and consistent 3D generation within a mere 5 minutes. At the heart of Vista3D lies a two-phase approach: the coarse phase and the fine phase. In the coarse phase, we rapidly generate initial geometry with Gaussian Splatting from a single image. In the fine phase, we extract a Signed Distance Function (SDF) directly from learned Gaussian Splatting, optimizing it with a differentiable isosurface representation. Furthermore, it elevates the quality of generation by using a disentangled representation with two independent implicit functions to capture both visible and obscured aspects of objects. Additionally, it harmonizes gradients from 2D diffusion prior with 3D-aware diffusion priors by angular diffusion prior composition. Through extensive evaluation, we demonstrate that Vista3D effectively sustains a balance between the consistency and diversity of the generated 3D objects. Demos and code will be available at https://github.com/florinshen/Vista3D.

Large Language Models (LLMs) have reshaped the landscape of artificial intelligence by demonstrating exceptional performance across various tasks. However, substantial computational requirements make their deployment challenging on devices with limited resources. Recently, compression methods using low-rank matrix techniques have shown promise, yet these often lead to degraded accuracy or introduce significant overhead in parameters and inference latency. This paper introduces Modular Decomposition (MoDeGPT), a novel structured compression framework that does not need recovery fine-tuning while resolving the above drawbacks. MoDeGPT partitions the Transformer block into modules comprised of matrix pairs and reduces the hidden dimensions via reconstructing the module-level outputs. MoDeGPT is developed based on a theoretical framework that utilizes three well-established matrix decomposition algorithms -- Nystr\"om approximation, CR decomposition, and SVD -- and applies them to our redefined transformer modules. Our comprehensive experiments show MoDeGPT, without backward propagation, matches or surpasses previous structured compression methods that rely on gradient information, and saves 98% of compute costs on compressing a 13B model. On Llama-2/3 and OPT models, MoDeGPT maintains 90-95% zero-shot performance with 25-30% compression rates. Moreover, the compression can be done on a single GPU within a few hours and increases the inference throughput by up to 46%.

Pretrained language models like BERT have achieved good results on NLP tasks, but are impractical on resource-limited devices due to memory footprint. A large fraction of this footprint comes from the input embeddings with large input vocabulary and embedding dimensions. Existing knowledge distillation methods used for model compression cannot be directly applied to train student models with reduced vocabulary sizes. To this end, we propose a distillation method to align the teacher and student embeddings via mixed-vocabulary training. Our method compresses BERT-LARGE to a task-agnostic model with smaller vocabulary and hidden dimensions, which is an order of magnitude smaller than other distilled BERT models and offers a better size-accuracy trade-off on language understanding benchmarks as well as a practical dialogue task.

This paper studies the curious phenomenon for machine learning models with Transformer architectures that their activation maps are sparse. By activation map we refer to the intermediate output of the multi-layer perceptrons (MLPs) after a ReLU activation function, and by sparse we mean that on average very few entries (e.g., 3.0% for T5-Base and 6.3% for ViT-B16) are nonzero for each input to MLP. Moreover, larger Transformers with more layers and wider MLP hidden dimensions are sparser as measured by the percentage of nonzero entries. Through extensive experiments we demonstrate that the emergence of sparsity is a prevalent phenomenon that occurs for both natural language processing and vision tasks, on both training and evaluation data, for Transformers of various configurations, at layers of all depth levels, as well as for other architectures including MLP-mixers and 2-layer MLPs. We show that sparsity also emerges using training datasets with random labels, or with random inputs, or with infinite amount of data, demonstrating that sparsity is not a result of a specific family of datasets. We discuss how sparsity immediately implies a way to significantly reduce the FLOP count and improve efficiency for Transformers. Moreover, we demonstrate perhaps surprisingly that enforcing an even sparser activation via Top-k thresholding with a small value of k brings a collection of desired but missing properties for Transformers, namely less sensitivity to noisy training data, more robustness to input corruptions, and better calibration for their prediction confidence.

Transformer-based models have delivered impressive results on many tasks, particularly vision and language tasks. In many model training situations, conventional configurations are typically adopted. For example, we often set the base model with hidden dimensions (i.e. model width) to be 768 and the number of transformer layers (i.e. model depth) to be 12. In this paper, we revisit these conventional configurations. Through theoretical analysis and experimental evaluation, we show that the masked autoencoder is effective in alleviating the over-smoothing issue in deep transformer training. Based on this finding, we propose Bamboo, an idea of using deeper and narrower transformer configurations, for masked autoencoder training. On ImageNet, with such a simple change in configuration, re-designed model achieves 87.1% top-1 accuracy and outperforms SoTA models like MAE and BEiT. On language tasks, re-designed model outperforms BERT with default setting by 1.1 points on average, on GLUE datasets.

The success of visual instruction tuning has accelerated the development of large language and vision models (LLVMs). Following the scaling laws of instruction-tuned large language models (LLMs), LLVMs either have further increased their sizes, reaching 26B, 34B, and even 80B parameters. While this increase in model size has yielded significant performance gains, it demands substantially more hardware resources for both training and inference. Consequently, there naturally exists a strong need for efficient LLVMs that achieve the performance of larger models while being smaller in size. To achieve this need, we present a new efficient LLVM family with model sizes of 0.5B, 1.8B, 3.8B, and 7B parameters, Phantom, which significantly enhances learning capabilities within limited structures. By temporarily increasing the latent hidden dimension during multi-head self-attention (MHSA), we make LLVMs prepare to look and understand much more vision-language knowledge on the latent, without substantially increasing physical model sizes. To maximize its advantage, we introduce Phantom Optimization (PO) using both autoregressive supervised fine-tuning (SFT) and direct preference optimization (DPO)-like concept, which effectively follows correct answers while eliminating incorrect and ambiguous ones. Phantom outperforms numerous larger open- and closed-source LLVMs, positioning itself as a leading solution in the landscape of efficient LLVMs.

The popularity of LLaMA (Touvron et al., 2023a;b) and other recently emerged moderate-sized large language models (LLMs) highlights the potential of building smaller yet powerful LLMs. Regardless, the cost of training such models from scratch on trillions of tokens remains high. In this work, we study structured pruning as an effective means to develop smaller LLMs from pre-trained, larger models. Our approach employs two key techniques: (1) targeted structured pruning, which prunes a larger model to a specified target shape by removing layers, heads, and intermediate and hidden dimensions in an end-to-end manner, and (2) dynamic batch loading, which dynamically updates the composition of sampled data in each training batch based on varying losses across different domains. We demonstrate the efficacy of our approach by presenting the Sheared-LLaMA series, pruning the LLaMA2-7B model down to 1.3B and 2.7B parameters. Sheared-LLaMA models outperform state-of-the-art open-source models of equivalent sizes, such as Pythia, INCITE, and OpenLLaMA models, on a wide range of downstream and instruction tuning evaluations, while requiring only 3% of compute compared to training such models from scratch. This work provides compelling evidence that leveraging existing LLMs with structured pruning is a far more cost-effective approach for building smaller LLMs.

Graph Neural Networks (GNNs) have displayed considerable promise in graph representation learning across various applications. The core learning process requires the initialization of model weight matrices within each GNN layer, which is typically accomplished via classic initialization methods such as Xavier initialization. However, these methods were originally motivated to stabilize the variance of hidden embeddings and gradients across layers of Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to avoid vanishing gradients and maintain steady information flow. In contrast, within the GNN context classical initializations disregard the impact of the input graph structure and message passing on variance. In this paper, we analyze the variance of forward and backward propagation across GNN layers and show that the variance instability of GNN initializations comes from the combined effect of the activation function, hidden dimension, graph structure and message passing. To better account for these influence factors, we propose a new initialization method for Variance Instability Reduction within GNN Optimization (Virgo), which naturally tends to equate forward and backward variances across successive layers. We conduct comprehensive experiments on 15 datasets to show that Virgo can lead to superior model performance and more stable variance at initialization on node classification, link prediction and graph classification tasks. Codes are in https://github.com/LspongebobJH/virgo_icml2023.

The pre-training phase of language models often begins with randomly initialized parameters. With the current trends in scaling models, training their large number of parameters can be extremely slow and costly. In contrast, small language models are less expensive to train, but they often cannot achieve the accuracy of large models. In this paper, we explore an intriguing idea to connect these two different regimes: Can we develop a method to initialize large language models using smaller pre-trained models? Will such initialization bring any benefits in terms of training time and final accuracy? In this paper, we introduce HyperCloning, a method that can expand the parameters of a pre-trained language model to those of a larger model with increased hidden dimensions. Our method ensures that the larger model retains the functionality of the smaller model. As a result, the larger model already inherits the predictive power and accuracy of the smaller model before the training starts. We demonstrate that training such an initialized model results in significant savings in terms of GPU hours required for pre-training large language models.

The design choices in Transformer feed-forward neural networks have resulted in significant computational and parameter overhead. In this work, we emphasize the importance of hidden dimension in designing lightweight FFNs, a factor often overlooked in previous architectures. Guided by this principle, we introduce PartialFormer, a parameter-efficient Transformer architecture utilizing multiple smaller FFNs to reduce parameters and computation while maintaining essential hidden dimensions. These smaller FFNs are integrated into a multi-head attention system to enable effective collaboration. We also propose a tailored head scaling strategy to enhance PartialFormer's capabilities. Furthermore, we present a residual-like attention calculation to improve depth scaling within PartialFormer. Extensive experiments on 9 translation tasks and 1 abstractive summarization task validate the effectiveness of our PartialFormer approach. Our code would be available at: https://github.com/zhengkid/PartialFormer.

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

Large multimodal models (LMMs) "see" images by leveraging the attention mechanism between text and visual tokens in the transformer decoder. Ideally, these models should focus on key visual information relevant to the text token. However, recent findings indicate that LMMs have an extraordinary tendency to consistently allocate high attention weights to specific visual tokens, even when these tokens are irrelevant to the corresponding text. In this study, we investigate the property behind the appearance of these irrelevant visual tokens and examine their characteristics. Our findings show that this behavior arises due to the massive activation of certain hidden state dimensions, which resembles the attention sink found in language models. Hence, we refer to this phenomenon as the visual attention sink. In particular, our analysis reveals that removing the irrelevant visual sink tokens does not impact model performance, despite receiving high attention weights. Consequently, we recycle the attention to these tokens as surplus resources, redistributing the attention budget to enhance focus on the image. To achieve this, we introduce Visual Attention Redistribution (VAR), a method that redistributes attention in image-centric heads, which we identify as innately focusing on visual information. VAR can be seamlessly applied across different LMMs to improve performance on a wide range of tasks, including general vision-language tasks, visual hallucination tasks, and vision-centric tasks, all without the need for additional training, models, or inference steps. Experimental results demonstrate that VAR enables LMMs to process visual information more effectively by adjusting their internal attention mechanisms, offering a new direction to enhancing the multimodal capabilities of LMMs.

Subword tokenization is a common method for vocabulary building in Neural Machine Translation (NMT) models. However, increasingly complex tasks have revealed its disadvantages. First, a vocabulary cannot be modified once it is learned, making it hard to adapt to new words. Second, in multilingual translation, the imbalance in data volumes across different languages spreads to the vocabulary, exacerbating translations involving low-resource languages. While byte-based tokenization addresses these issues, byte-based models struggle with the low information density inherent in UTF-8 byte sequences. Previous works enhance token semantics through local contextualization but fail to select an appropriate contextualizing scope based on the input. Consequently, we propose the Multi-Scale Contextualization (MSC) method, which learns contextualized information of varying scales across different hidden state dimensions. It then leverages the attention module to dynamically integrate the multi-scale contextualized information. Experiments show that MSC significantly outperforms subword-based and other byte-based methods in both multilingual and out-of-domain scenarios. Code can be found in https://github.com/ictnlp/Multiscale-Contextualization.

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

Pre-trained large language models (LLMs) exhibit impressive mathematical reasoning capabilities, yet how they compute basic arithmetic, such as addition, remains unclear. This paper shows that pre-trained LLMs add numbers using Fourier features -- dimensions in the hidden state that represent numbers via a set of features sparse in the frequency domain. Within the model, MLP and attention layers use Fourier features in complementary ways: MLP layers primarily approximate the magnitude of the answer using low-frequency features, while attention layers primarily perform modular addition (e.g., computing whether the answer is even or odd) using high-frequency features. Pre-training is crucial for this mechanism: models trained from scratch to add numbers only exploit low-frequency features, leading to lower accuracy. Introducing pre-trained token embeddings to a randomly initialized model rescues its performance. Overall, our analysis demonstrates that appropriate pre-trained representations (e.g., Fourier features) can unlock the ability of Transformers to learn precise mechanisms for algorithmic tasks.

Length extrapolation algorithms based on Rotary position embedding (RoPE) have shown promising results in extending the context length of language models. However, understanding how position embedding can capture longer-range contextual information remains elusive. Based on the intuition that different dimensions correspond to different frequency of changes in RoPE encoding, we conducted a dimension-level analysis to investigate the correlation between a hidden dimension of an attention head and its contribution to capturing long-distance dependencies. Using our correlation metric, we identified a particular type of attention heads, which we named Positional Heads, from various length-extrapolated models. These heads exhibit a strong focus on long-range information interaction and play a pivotal role in long input processing, as evidence by our ablation. We further demonstrate the correlation between the efficiency of length extrapolation and the extension of the high-dimensional attention allocation of these heads. The identification of Positional Heads provides insights for future research in long-text comprehension.

Computation in a typical Transformer-based large language model (LLM) can be characterized by batch size, hidden dimension, number of layers, and sequence length. Until now, system works for accelerating LLM training have focused on the first three dimensions: data parallelism for batch size, tensor parallelism for hidden size and pipeline parallelism for model depth or layers. These widely studied forms of parallelism are not targeted or optimized for long sequence Transformer models. Given practical application needs for long sequence LLM, renewed attentions are being drawn to sequence parallelism. However, existing works in sequence parallelism are constrained by memory-communication inefficiency, limiting their scalability to long sequence large models. In this work, we introduce DeepSpeed-Ulysses, a novel, portable and effective methodology for enabling highly efficient and scalable LLM training with extremely long sequence length. DeepSpeed-Ulysses at its core partitions input data along the sequence dimension and employs an efficient all-to-all collective communication for attention computation. Theoretical communication analysis shows that whereas other methods incur communication overhead as sequence length increases, DeepSpeed-Ulysses maintains constant communication volume when sequence length and compute devices are increased proportionally. Furthermore, experimental evaluations show that DeepSpeed-Ulysses trains 2.5X faster with 4X longer sequence length than the existing method SOTA baseline.

Fine-tuning large pre-trained language models on downstream tasks has become the de-facto learning paradigm in NLP. However, conventional approaches fine-tune all the parameters of the pre-trained model, which becomes prohibitive as the model size and the number of tasks grow. Recent work has proposed a variety of parameter-efficient transfer learning methods that only fine-tune a small number of (extra) parameters to attain strong performance. While effective, the critical ingredients for success and the connections among the various methods are poorly understood. In this paper, we break down the design of state-of-the-art parameter-efficient transfer learning methods and present a unified framework that establishes connections between them. Specifically, we re-frame them as modifications to specific hidden states in pre-trained models, and define a set of design dimensions along which different methods vary, such as the function to compute the modification and the position to apply the modification. Through comprehensive empirical studies across machine translation, text summarization, language understanding, and text classification benchmarks, we utilize the unified view to identify important design choices in previous methods. Furthermore, our unified framework enables the transfer of design elements across different approaches, and as a result we are able to instantiate new parameter-efficient fine-tuning methods that tune less parameters than previous methods while being more effective, achieving comparable results to fine-tuning all parameters on all four tasks.

State-Space Models (SSMs) have recently emerged as a powerful and efficient alternative to the long-standing transformer architecture. However, existing SSM conceptualizations retain deeply rooted biases from their roots in natural language processing. This constrains their ability to appropriately model the spatially-dependent characteristics of visual inputs. In this paper, we address these limitations by re-deriving modern selective state-space techniques, starting from a natively multidimensional formulation. Currently, prior works attempt to apply natively 1D SSMs to 2D data (i.e. images) by relying on arbitrary combinations of 1D scan directions to capture spatial dependencies. In contrast, Mamba2D improves upon this with a single 2D scan direction that factors in both dimensions of the input natively, effectively modelling spatial dependencies when constructing hidden states. Mamba2D shows comparable performance to prior adaptations of SSMs for vision tasks, on standard image classification evaluations with the ImageNet-1K dataset. Source code is available at https://github.com/cocoalex00/Mamba2D.

Previously, methods for learning marginally stable linear dynamical systems either required the transition matrix to be symmetric or incurred regret bounds that scale polynomially with the system's hidden dimension. In this work, we introduce a novel method that overcomes this trade-off, achieving dimension-free regret despite the presence of asymmetric matrices and marginal stability. Our method combines spectral filtering with linear predictors and employs Chebyshev polynomials in the complex plane to construct a novel spectral filtering basis. This construction guarantees sublinear regret in an online learning framework, without relying on any statistical or generative assumptions. Specifically, we prove that as long as the transition matrix has eigenvalues with complex component bounded by 1/poly log T, then our method achieves regret O(T^{9/10}) when compared to the best linear dynamical predictor in hindsight.

We introduce the first model-stealing attack that extracts precise, nontrivial information from black-box production language models like OpenAI's ChatGPT or Google's PaLM-2. Specifically, our attack recovers the embedding projection layer (up to symmetries) of a transformer model, given typical API access. For under \20 USD, our attack extracts the entire projection matrix of OpenAI's Ada and Babbage language models. We thereby confirm, for the first time, that these black-box models have a hidden dimension of 1024 and 2048, respectively. We also recover the exact hidden dimension size of the gpt-3.5-turbo model, and estimate it would cost under 2,000 in queries to recover the entire projection matrix. We conclude with potential defenses and mitigations, and discuss the implications of possible future work that could extend our attack.

KV-Cache compression methods generally sample a KV-Cache of effectual tokens or quantize it into lower bits. However, these methods cannot exploit the redundancy of the hidden dimension of KV tensors. This paper investigates a unique hidden dimension approach called Palu, a novel KV-Cache compression framework that utilizes low-rank projection. Palu decomposes the linear layers into low-rank matrices, caches the smaller intermediate states, and reconstructs the full keys and values on the fly. To improve accuracy, compression rate, and efficiency, Palu further encompasses (1) a medium-grained low-rank decomposition scheme, (2) an efficient rank search algorithm, (3) a low-rank-aware quantization algorithm, and (4) matrix fusion with optimized GPU kernels. Our extensive experiments with popular LLMs show that Palu can compress KV-Cache by more than 91.25% while maintaining a significantly better accuracy (up to 1.19 lower perplexity) than state-of-the-art KV-Cache quantization methods at a similar or even higher memory usage. When compressing KV-Cache for 50%, Palu delivers up to 1.61x end-to-end speedup for the attention module. Our code is publicly available at https://github.com/shadowpa0327/Palu.

The Transformer architecture has two main non-embedding components: Attention and the Feed Forward Network (FFN). Attention captures interdependencies between words regardless of their position, while the FFN non-linearly transforms each input token independently. In this work we explore the role of the FFN, and find that despite taking up a significant fraction of the model's parameters, it is highly redundant. Concretely, we are able to substantially reduce the number of parameters with only a modest drop in accuracy by removing the FFN on the decoder layers and sharing a single FFN across the encoder. Finally we scale this architecture back to its original size by increasing the hidden dimension of the shared FFN, achieving substantial gains in both accuracy and latency with respect to the original Transformer Big.

In this paper, we propose a novel learning paradigm, termed Chain-of-Model (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style, thereby introducing great scaling efficiency in model training and inference flexibility in deployment. We introduce the concept of Chain-of-Representation (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains) at the hidden dimension level. In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise Chain-of-Language-Model (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a KV sharing mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models. Our code will be released in the future at: https://github.com/microsoft/CoLM.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Post-training quantization (PTQ) of large language models (LLMs) holds the promise in reducing the prohibitive computational cost at inference time. Quantization of all weight, activation and key-value (KV) cache tensors to 4-bit without significantly degrading generalizability is challenging, due to the high quantization error caused by extreme outliers in activations. To tackle this problem, we propose ResQ, a PTQ method that pushes further the state-of-the-art. By means of principal component analysis (PCA), it identifies a low-rank subspace (in practice 1/8 of the hidden dimension) in which activation variances are highest, and keep the coefficients within this subspace in high precision, e.g. 8-bit, while quantizing the rest to 4-bit. Within each subspace, invariant random rotation is applied to further suppress outliers. We show that this is a provably optimal mixed precision quantization scheme that minimizes error. With the Llama and Qwen2.5 families of models, we demonstrate that ResQ outperforms recent uniform and mixed precision PTQ methods on a variety of benchmarks, achieving up to 33\% lower perplexity on Wikitext than the next best method SpinQuant, and upto 3\times speedup over 16-bit baseline. Code is available at https://github.com/utkarsh-dmx/project-resq.

Neural collapse (NC) is a phenomenon observed in classification tasks where top-layer representations collapse into their class means, which become equinorm, equiangular and aligned with the classifiers. These behaviors -- associated with generalization and robustness -- would manifest under specific conditions: models are trained towards zero loss, with noise-free labels belonging to balanced classes, which do not outnumber the model's hidden dimension. Recent studies have explored NC in the absence of one or more of these conditions to extend and capitalize on the associated benefits of ideal geometries. Language modeling presents a curious frontier, as training by token prediction constitutes a classification task where none of the conditions exist: the vocabulary is imbalanced and exceeds the embedding dimension; different tokens might correspond to similar contextual embeddings; and large language models (LLMs) in particular are typically only trained for a few epochs. This paper empirically investigates the impact of scaling the architectures and training of causal language models (CLMs) on their progression towards NC. We find that NC properties that develop with scaling are linked to generalization. Moreover, there is evidence of some relationship between NC and generalization independent of scale. Our work therefore underscores the generality of NC as it extends to the novel and more challenging setting of language modeling. Downstream, we seek to inspire further research on the phenomenon to deepen our understanding of LLMs -- and neural networks at large -- and improve existing architectures based on NC-related properties.

Language models pre-trained on biomedical corpora, such as BioBERT, have recently shown promising results on downstream biomedical tasks. Many existing pre-trained models, on the other hand, are resource-intensive and computationally heavy owing to factors such as embedding size, hidden dimension, and number of layers. The natural language processing (NLP) community has developed numerous strategies to compress these models utilising techniques such as pruning, quantisation, and knowledge distillation, resulting in models that are considerably faster, smaller, and subsequently easier to use in practice. By the same token, in this paper we introduce six lightweight models, namely, BioDistilBERT, BioTinyBERT, BioMobileBERT, DistilBioBERT, TinyBioBERT, and CompactBioBERT which are obtained either by knowledge distillation from a biomedical teacher or continual learning on the Pubmed dataset via the Masked Language Modelling (MLM) objective. We evaluate all of our models on three biomedical tasks and compare them with BioBERT-v1.1 to create efficient lightweight models that perform on par with their larger counterparts. All the models will be publicly available on our Huggingface profile at https://huggingface.co/nlpie and the codes used to run the experiments will be available at https://github.com/nlpie-research/Compact-Biomedical-Transformers.

The recently proposed Conformer architecture has shown state-of-the-art performances in Automatic Speech Recognition by combining convolution with attention to model both local and global dependencies. In this paper, we study how to reduce the Conformer architecture complexity with a limited computing budget, leading to a more efficient architecture design that we call Efficient Conformer. We introduce progressive downsampling to the Conformer encoder and propose a novel attention mechanism named grouped attention, allowing us to reduce attention complexity from O(n^{2}d) to O(n^{2}d / g) for sequence length n, hidden dimension d and group size parameter g. We also experiment the use of strided multi-head self-attention as a global downsampling operation. Our experiments are performed on the LibriSpeech dataset with CTC and RNN-Transducer losses. We show that within the same computing budget, the proposed architecture achieves better performances with faster training and decoding compared to the Conformer. Our 13M parameters CTC model achieves competitive WERs of 3.6%/9.0% without using a language model and 2.7%/6.7% with an external n-gram language model on the test-clean/test-other sets while being 29% faster than our CTC Conformer baseline at inference and 36% faster to train.

Self-attention has recently been adopted for a wide range of sequence modeling problems. Despite its effectiveness, self-attention suffers from quadratic compute and memory requirements with respect to sequence length. Successful approaches to reduce this complexity focused on attending to local sliding windows or a small set of locations independent of content. Our work proposes to learn dynamic sparse attention patterns that avoid allocating computation and memory to attend to content unrelated to the query of interest. This work builds upon two lines of research: it combines the modeling flexibility of prior work on content-based sparse attention with the efficiency gains from approaches based on local, temporal sparse attention. Our model, the Routing Transformer, endows self-attention with a sparse routing module based on online k-means while reducing the overall complexity of attention to Oleft(n^{1.5}dright) from Oleft(n^2dright) for sequence length n and hidden dimension d. We show that our model outperforms comparable sparse attention models on language modeling on Wikitext-103 (15.8 vs 18.3 perplexity) as well as on image generation on ImageNet-64 (3.43 vs 3.44 bits/dim) while using fewer self-attention layers. Additionally, we set a new state-of-the-art on the newly released PG-19 data-set, obtaining a test perplexity of 33.2 with a 22 layer Routing Transformer model trained on sequences of length 8192.

This paper explores the relationship between matrix factorizations and linear matrix equations. It shows that every matrix factorization defines two hidden projectors, one for the column space and one for the row space of a matrix, and how to calculate them. The projectors can be applied to solve linear matrix equations, generate low-rank approximations, or design randomized matrix algorithms. But also, as demonstrated, they can be applied in cryptography to encrypt and decrypt messages. The paper discusses some of the security implications of this application and leaves some questions open for further investigation. The basic concepts are illustrated with source code listings. Finally, this work shares some personal reflections on the meaning and importance of understanding in the time of the artificial intelligence revolution.

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable features are embedded in hidden states. Our experiments reveal high probing accuracy, indicating latent space regularities with functionally important directions. Building on this, we use the directions between hidden states with opposing features to fit control vectors. At inference, we add our control vectors to hidden states and evaluate their impact on predictions. Remarkably, such modifications preserve the feasibility of predictions. We further refine our control vectors using sparse autoencoders (SAEs). This leads to more linear changes in predictions when scaling control vectors. Our approach enables mechanistic interpretation as well as zero-shot generalization to unseen dataset characteristics with negligible computational overhead.

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper introduces a novel approach that bridges this gap by combining the interpretability of linear methods with the expressiveness of non-linear transformations. The proposed algorithm constructs a non-linear mapping between high-dimensional and low-dimensional spaces through a combination of linear transformations, each weighted by Gaussian functions. This architecture enables complex non-linear transformations while preserving the interpretability advantages of linear methods, as each transformation can be analyzed independently. The resulting model provides both powerful dimensionality reduction and transparent insights into the transformed space. Techniques for interpreting the learned transformations are presented, including methods for identifying suppressed dimensions and how space is expanded and contracted. These tools enable practitioners to understand how the algorithm preserves and modifies geometric relationships during dimensionality reduction. To ensure the practical utility of this algorithm, the creation of user-friendly software packages is emphasized, facilitating its adoption in both academia and industry.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

Machine learning models for medical image analysis often suffer from poor performance on important subsets of a population that are not identified during training or testing. For example, overall performance of a cancer detection model may be high, but the model still consistently misses a rare but aggressive cancer subtype. We refer to this problem as hidden stratification, and observe that it results from incompletely describing the meaningful variation in a dataset. While hidden stratification can substantially reduce the clinical efficacy of machine learning models, its effects remain difficult to measure. In this work, we assess the utility of several possible techniques for measuring and describing hidden stratification effects, and characterize these effects on multiple medical imaging datasets. We find evidence that hidden stratification can occur in unidentified imaging subsets with low prevalence, low label quality, subtle distinguishing features, or spurious correlates, and that it can result in relative performance differences of over 20% on clinically important subsets. Finally, we explore the clinical implications of our findings, and suggest that evaluation of hidden stratification should be a critical component of any machine learning deployment in medical imaging.

Autoencoders have been proposed as a powerful tool for model-independent anomaly detection in high-energy physics. The operating principle is that events which do not belong to the space of training data will be reconstructed poorly, thus flagging them as anomalies. We point out that in a variety of examples of interest, the connection between large reconstruction error and anomalies is not so clear. In particular, for data sets with nontrivial topology, there will always be points that erroneously seem anomalous due to global issues. Conversely, neural networks typically have an inductive bias or prior to locally interpolate such that undersampled or rare events may be reconstructed with small error, despite actually being the desired anomalies. Taken together, these facts are in tension with the simple picture of the autoencoder as an anomaly detector. Using a series of illustrative low-dimensional examples, we show explicitly how the intrinsic and extrinsic topology of the dataset affects the behavior of an autoencoder and how this topology is manifested in the latent space representation during training. We ground this analysis in the discussion of a mock "bump hunt" in which the autoencoder fails to identify an anomalous "signal" for reasons tied to the intrinsic topology of n-particle phase space.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

There is an increasingly apparent need for validating the classifications made by deep learning systems in safety-critical applications like autonomous vehicle systems. A number of recent papers have proposed methods for detecting anomalous image data that appear different from known inlier data samples, including reconstruction-based autoencoders. Autoencoders optimize the compression of input data to a latent space of a dimensionality smaller than the original input and attempt to accurately reconstruct the input using that compressed representation. Since the latent vector is optimized to capture the salient features from the inlier class only, it is commonly assumed that images of objects from outside of the training class cannot effectively be compressed and reconstructed. Some thus consider reconstruction error as a kind of novelty measure. Here we suggest that reconstruction-based approaches fail to capture particular anomalies that lie far from known inlier samples in latent space but near the latent dimension manifold defined by the parameters of the model. We propose incorporating the Mahalanobis distance in latent space to better capture these out-of-distribution samples and our results show that this method often improves performance over the baseline approach.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

Practitioners prune neural networks for efficiency gains and generalization improvements, but few scrutinize the factors determining the prunability of a neural network the maximum fraction of weights that pruning can remove without compromising the model's test accuracy. In this work, we study the properties of input data that may contribute to the prunability of a neural network. For high dimensional input data such as images, text, and audio, the manifold hypothesis suggests that these high dimensional inputs approximately lie on or near a significantly lower dimensional manifold. Prior work demonstrates that the underlying low dimensional structure of the input data may affect the sample efficiency of learning. In this paper, we investigate whether the low dimensional structure of the input data affects the prunability of a neural network.

This work presents a framework for assessing whether large language models (LLMs) encode more factual knowledge in their parameters than what they express in their outputs. While a few studies hint at this possibility, none has clearly defined or demonstrated this phenomenon. We first propose a formal definition of knowledge, quantifying it for a given question as the fraction of correct-incorrect answer pairs where the correct one is ranked higher. This gives rise to external and internal knowledge, depending on the information used to score individual answer candidates: either the model's observable token-level probabilities or its intermediate computations. Hidden knowledge arises when internal knowledge exceeds external knowledge. We then present a case study, applying this framework to three popular open-weights LLMs in a closed-book QA setup. Our results indicate that: (1) LLMs consistently encode more factual knowledge internally than what they express externally, with an average gap of 40%. (2) Surprisingly, some knowledge is so deeply hidden that a model can internally know an answer perfectly, yet fail to generate it even once, despite large-scale repeated sampling of 1,000 answers. This reveals fundamental limitations in the generation capabilities of LLMs, which (3) puts a practical constraint on scaling test-time compute via repeated answer sampling in closed-book QA: significant performance improvements remain inaccessible because some answers are practically never sampled, yet if they were, we would be guaranteed to rank them first.

As the quality of image generators continues to improve, deepfakes become a topic of considerable societal debate. Image watermarking allows responsible model owners to detect and label their AI-generated content, which can mitigate the harm. Yet, current state-of-the-art methods in image watermarking remain vulnerable to forgery and removal attacks. This vulnerability occurs in part because watermarks distort the distribution of generated images, unintentionally revealing information about the watermarking techniques. In this work, we first demonstrate a distortion-free watermarking method for images, based on a diffusion model's initial noise. However, detecting the watermark requires comparing the initial noise reconstructed for an image to all previously used initial noises. To mitigate these issues, we propose a two-stage watermarking framework for efficient detection. During generation, we augment the initial noise with generated Fourier patterns to embed information about the group of initial noises we used. For detection, we (i) retrieve the relevant group of noises, and (ii) search within the given group for an initial noise that might match our image. This watermarking approach achieves state-of-the-art robustness to forgery and removal against a large battery of attacks.

Hidden Markov Models (HMMs) are foundational tools for modeling sequential data with latent Markovian structure, yet fitting them to real-world data remains computationally challenging. In this work, we show that pre-trained large language models (LLMs) can effectively model data generated by HMMs via in-context learning (ICL)x2013their ability to infer patterns from examples within a prompt. On a diverse set of synthetic HMMs, LLMs achieve predictive accuracy approaching the theoretical optimum. We uncover novel scaling trends influenced by HMM properties, and offer theoretical conjectures for these empirical observations. We also provide practical guidelines for scientists on using ICL as a diagnostic tool for complex data. On real-world animal decision-making tasks, ICL achieves competitive performance with models designed by human experts. To our knowledge, this is the first demonstration that ICL can learn and predict HMM-generated sequencesx2013an advance that deepens our understanding of in-context learning in LLMs and establishes its potential as a powerful tool for uncovering hidden structure in complex scientific data.

Language provides a natural interface to specify and evaluate performance on visual tasks. To realize this possibility, vision language models (VLMs) must successfully integrate visual and linguistic information. Our work compares VLMs to a direct readout of their visual encoders to understand their ability to integrate across these modalities. Across a series of vision-centric benchmarks (e.g., depth estimation, correspondence), we find that VLMs perform substantially worse than their visual encoders, dropping to near-chance performance. We investigate these results through a series of analyses across the entire VLM: namely 1) the degradation of vision representations, 2) brittleness to task prompt, and 3) the language model's role in solving the task. We find that the bottleneck in performing these vision-centric tasks lies in this third category; VLMs are not effectively using visual information easily accessible throughout the entire model, and they inherit the language priors present in the LLM. Our work helps diagnose the failure modes of open-source VLMs, and presents a series of evaluations useful for future investigations into visual understanding within VLMs.

End-to-end driving systems have recently made rapid progress, in particular on CARLA. Independent of their major contribution, they introduce changes to minor system components. Consequently, the source of improvements is unclear. We identify two biases that recur in nearly all state-of-the-art methods and are critical for the observed progress on CARLA: (1) lateral recovery via a strong inductive bias towards target point following, and (2) longitudinal averaging of multimodal waypoint predictions for slowing down. We investigate the drawbacks of these biases and identify principled alternatives. By incorporating our insights, we develop TF++, a simple end-to-end method that ranks first on the Longest6 and LAV benchmarks, gaining 14 driving score over the best prior work on Longest6.

Multimodal large language models (MLLMs) are increasingly deployed in open-ended, real-world environments where inputs are messy, underspecified, and not always trustworthy. Unlike curated benchmarks, these settings frequently involve instructions that refer to missing objects or contradictory facts, rely on ambiguous references, or request infeasible actions. In such cases, success hinges not on task execution alone, but on a model's ability to detect when something is silently wrong. This paper presents a systematic analysis of how current MLLMs handle such implicit reasoning scenarios: cases where the flaw is not explicitly stated but must be inferred from context. Using a curated diagnostic suite spanning four categories of real-world failure modes, we evaluate six MLLMs, including o3 and GPT-4o, and find that models frequently fail to surface hidden issues, even when they possess the necessary perceptual and reasoning skills. Explicit prompting reveals that the underlying capabilities exist but are often suppressed in favor of user compliance. We further show that simple inference-time interventions, such as cautious persona prompting and, in particular, requiring a clarifying question, can dramatically recover performance. Our findings highlight a persistent gap between reasoning competence and behavioral compliance in current MLLMs and suggest practical strategies for making these models more trustworthy in underconstrained environments.

Backdoor attacks are a kind of insidious security threat against machine learning models. After being injected with a backdoor in training, the victim model will produce adversary-specified outputs on the inputs embedded with predesigned triggers but behave properly on normal inputs during inference. As a sort of emergent attack, backdoor attacks in natural language processing (NLP) are investigated insufficiently. As far as we know, almost all existing textual backdoor attack methods insert additional contents into normal samples as triggers, which causes the trigger-embedded samples to be detected and the backdoor attacks to be blocked without much effort. In this paper, we propose to use the syntactic structure as the trigger in textual backdoor attacks. We conduct extensive experiments to demonstrate that the syntactic trigger-based attack method can achieve comparable attack performance (almost 100% success rate) to the insertion-based methods but possesses much higher invisibility and stronger resistance to defenses. These results also reveal the significant insidiousness and harmfulness of textual backdoor attacks. All the code and data of this paper can be obtained at https://github.com/thunlp/HiddenKiller.

This work proposes a novel approach to 4D radar-based scene flow estimation via cross-modal learning. Our approach is motivated by the co-located sensing redundancy in modern autonomous vehicles. Such redundancy implicitly provides various forms of supervision cues to the radar scene flow estimation. Specifically, we introduce a multi-task model architecture for the identified cross-modal learning problem and propose loss functions to opportunistically engage scene flow estimation using multiple cross-modal constraints for effective model training. Extensive experiments show the state-of-the-art performance of our method and demonstrate the effectiveness of cross-modal supervised learning to infer more accurate 4D radar scene flow. We also show its usefulness to two subtasks - motion segmentation and ego-motion estimation. Our source code will be available on https://github.com/Toytiny/CMFlow.

End-to-end driving systems have made rapid progress, but have so far not been applied to the challenging new CARLA Leaderboard 2.0. Further, while there is a large body of literature on end-to-end architectures and training strategies, the impact of the training dataset is often overlooked. In this work, we make a first attempt at end-to-end driving for Leaderboard 2.0. Instead of investigating architectures, we systematically analyze the training dataset, leading to new insights: (1) Expert style significantly affects downstream policy performance. (2) In complex data sets, the frames should not be weighted on the basis of simplistic criteria such as class frequencies. (3) Instead, estimating whether a frame changes the target labels compared to previous frames can reduce the size of the dataset without removing important information. By incorporating these findings, our model ranks first and second respectively on the map and sensors tracks of the 2024 CARLA Challenge, and sets a new state-of-the-art on the Bench2Drive test routes. Finally, we uncover a design flaw in the current evaluation metrics and propose a modification for future challenges. Our dataset, code, and pre-trained models are publicly available at https://github.com/autonomousvision/carla_garage.

A prominent challenge of offline reinforcement learning (RL) is the issue of hidden confounding: unobserved variables may influence both the actions taken by the agent and the observed outcomes. Hidden confounding can compromise the validity of any causal conclusion drawn from data and presents a major obstacle to effective offline RL. In the present paper, we tackle the problem of hidden confounding in the nonidentifiable setting. We propose a definition of uncertainty due to hidden confounding bias, termed delphic uncertainty, which uses variation over world models compatible with the observations, and differentiate it from the well-known epistemic and aleatoric uncertainties. We derive a practical method for estimating the three types of uncertainties, and construct a pessimistic offline RL algorithm to account for them. Our method does not assume identifiability of the unobserved confounders, and attempts to reduce the amount of confounding bias. We demonstrate through extensive experiments and ablations the efficacy of our approach on a sepsis management benchmark, as well as on electronic health records. Our results suggest that nonidentifiable hidden confounding bias can be mitigated to improve offline RL solutions in practice.

Large Vision-Language Models (LVLMs) can reason effectively over both textual and visual inputs, but they tend to hallucinate syntactically coherent yet visually ungrounded contents. In this paper, we investigate the internal dynamics of hallucination by examining the tokens logits rankings throughout the generation process, revealing three key patterns in how LVLMs process information: (1) gradual visual information loss -- visually grounded tokens gradually become less favored throughout generation, and (2) early excitation -- semantically meaningful tokens achieve peak activation in the layers earlier than the final layer. (3) hidden genuine information -- visually grounded tokens though not being eventually decided still retain relatively high rankings at inference. Based on these insights, we propose VISTA (Visual Information Steering with Token-logit Augmentation), a training-free inference-time intervention framework that reduces hallucination while promoting genuine information. VISTA works by combining two complementary approaches: reinforcing visual information in activation space and leveraging early layer activations to promote semantically meaningful decoding. Compared to existing methods, VISTA requires no external supervision and is applicable to various decoding strategies. Extensive experiments show that VISTA on average reduces hallucination by abount 40% on evaluated open-ended generation task, and it consistently outperforms existing methods on four benchmarks across four architectures under three decoding strategies.

The rapid development of large reasoning models, such as OpenAI-o3 and DeepSeek-R1, has led to significant improvements in complex reasoning over non-reasoning large language models~(LLMs). However, their enhanced capabilities, combined with the open-source access of models like DeepSeek-R1, raise serious safety concerns, particularly regarding their potential for misuse. In this work, we present a comprehensive safety assessment of these reasoning models, leveraging established safety benchmarks to evaluate their compliance with safety regulations. Furthermore, we investigate their susceptibility to adversarial attacks, such as jailbreaking and prompt injection, to assess their robustness in real-world applications. Through our multi-faceted analysis, we uncover four key findings: (1) There is a significant safety gap between the open-source R1 models and the o3-mini model, on both safety benchmark and attack, suggesting more safety effort on R1 is needed. (2) The distilled reasoning model shows poorer safety performance compared to its safety-aligned base models. (3) The stronger the model's reasoning ability, the greater the potential harm it may cause when answering unsafe questions. (4) The thinking process in R1 models pose greater safety concerns than their final answers. Our study provides insights into the security implications of reasoning models and highlights the need for further advancements in R1 models' safety to close the gap.

Text-to-image diffusion models have demonstrated an unparalleled ability to generate high-quality, diverse images from a textual concept (e.g., "a doctor", "love"). However, the internal process of mapping text to a rich visual representation remains an enigma. In this work, we tackle the challenge of understanding concept representations in text-to-image models by decomposing an input text prompt into a small set of interpretable elements. This is achieved by learning a pseudo-token that is a sparse weighted combination of tokens from the model's vocabulary, with the objective of reconstructing the images generated for the given concept. Applied over the state-of-the-art Stable Diffusion model, this decomposition reveals non-trivial and surprising structures in the representations of concepts. For example, we find that some concepts such as "a president" or "a composer" are dominated by specific instances (e.g., "Obama", "Biden") and their interpolations. Other concepts, such as "happiness" combine associated terms that can be concrete ("family", "laughter") or abstract ("friendship", "emotion"). In addition to peering into the inner workings of Stable Diffusion, our method also enables applications such as single-image decomposition to tokens, bias detection and mitigation, and semantic image manipulation. Our code will be available at: https://hila-chefer.github.io/Conceptor/

Reward models trained on human preference data have been proven to be effective for aligning Large Language Models (LLMs) with human intent within the reinforcement learning from human feedback (RLHF) framework. However, the generalization capabilities of current reward models to unseen prompts and responses are limited. This limitation can lead to an unexpected phenomenon known as reward over-optimization, where excessive optimization of rewards results in a decline in actual performance. While previous research has advocated for constraining policy optimization, our study proposes a novel approach to enhance the reward model's generalization ability against distribution shifts by regularizing the hidden states. Specifically, we retain the base model's language model head and incorporate a suite of text-generation losses to preserve the hidden states' text generation capabilities, while concurrently learning a reward head behind the same hidden states. Our experimental results demonstrate that the introduced regularization technique markedly improves the accuracy of learned reward models across a variety of out-of-distribution (OOD) tasks and effectively alleviate the over-optimization issue in RLHF, offering a more reliable and robust preference learning paradigm.

Large language models follow a lineage of many NLP applications that were directly inspired by distributional semantics, but do not seem to be closely related to it anymore. In this paper, we propose to employ the distributional theory of meaning once again. Using Independent Component Analysis to overcome some of its challenging aspects, we show that large language models represent semantic features in their hidden states.

Large vision-language models (LVLMs), designed to interpret and respond to human instructions, occasionally generate hallucinated or harmful content due to inappropriate instructions. This study uses linear probing to shed light on the hidden knowledge at the output layer of LVLMs. We demonstrate that the logit distributions of the first tokens contain sufficient information to determine whether to respond to the instructions, including recognizing unanswerable visual questions, defending against multi-modal jailbreaking attack, and identifying deceptive questions. Such hidden knowledge is gradually lost in logits of subsequent tokens during response generation. Then, we illustrate a simple decoding strategy at the generation of the first token, effectively improving the generated content. In experiments, we find a few interesting insights: First, the CLIP model already contains a strong signal for solving these tasks, indicating potential bias in the existing datasets. Second, we observe performance improvement by utilizing the first logit distributions on three additional tasks, including indicting uncertainty in math solving, mitigating hallucination, and image classification. Last, with the same training data, simply finetuning LVLMs improve models' performance but is still inferior to linear probing on these tasks.

We discover that DALLE-2 seems to have a hidden vocabulary that can be used to generate images with absurd prompts. For example, it seems that Apoploe vesrreaitais means birds and Contarra ccetnxniams luryca tanniounons (sometimes) means bugs or pests. We find that these prompts are often consistent in isolation but also sometimes in combinations. We present our black-box method to discover words that seem random but have some correspondence to visual concepts. This creates important security and interpretability challenges.

[This paper was initially published in PHME conference in 2016, selected for further publication in International Journal of Prognostics and Health Management.] This paper describes an Autoregressive Partially-hidden Markov model (ARPHMM) for fault detection and prognostics of equipments based on sensors' data. It is a particular dynamic Bayesian network that allows to represent the dynamics of a system by means of a Hidden Markov Model (HMM) and an autoregressive (AR) process. The Markov chain assumes that the system is switching back and forth between internal states while the AR process ensures a temporal coherence on sensor measurements. A sound learning procedure of standard ARHMM based on maximum likelihood allows to iteratively estimate all parameters simultaneously. This paper suggests a modification of the learning procedure considering that one may have prior knowledge about the structure which becomes partially hidden. The integration of the prior is based on the Theory of Weighted Distributions which is compatible with the Expectation-Maximization algorithm in the sense that the convergence properties are still satisfied. We show how to apply this model to estimate the remaining useful life based on health indicators. The autoregressive parameters can indeed be used for prediction while the latent structure can be used to get information about the degradation level. The interest of the proposed method for prognostics and health assessment is demonstrated on CMAPSS datasets.

Chain-of-Thought (CoT) prompting has significantly enhanced the reasoning abilities of large language models. However, recent studies have shown that models can still perform complex reasoning tasks even when the CoT is replaced with filler(hidden) characters (e.g., "..."), leaving open questions about how models internally process and represent reasoning steps. In this paper, we investigate methods to decode these hidden characters in transformer models trained with filler CoT sequences. By analyzing layer-wise representations using the logit lens method and examining token rankings, we demonstrate that the hidden characters can be recovered without loss of performance. Our findings provide insights into the internal mechanisms of transformer models and open avenues for improving interpretability and transparency in language model reasoning.

The Mamba layer offers an efficient selective state space model (SSM) that is highly effective in modeling multiple domains including NLP, long-range sequences processing, and computer vision. Selective SSMs are viewed as dual models, in which one trains in parallel on the entire sequence via IO-aware parallel scan, and deploys in an autoregressive manner. We add a third view and show that such models can be viewed as attention-driven models. This new perspective enables us to compare the underlying mechanisms to that of the self-attention layers in transformers and allows us to peer inside the inner workings of the Mamba model with explainability methods. Our code is publicly available.

We analyze the operation of transformer language adapters, which are small modules trained on top of a frozen language model to adapt its predictions to new target languages. We show that adapted predictions mostly evolve in the source language the model was trained on, while the target language becomes pronounced only in the very last layers of the model. Moreover, the adaptation process is gradual and distributed across layers, where it is possible to skip small groups of adapters without decreasing adaptation performance. Last, we show that adapters operate on top of the model's frozen representation space while largely preserving its structure, rather than on an 'isolated' subspace. Our findings provide a deeper view into the adaptation process of language models to new languages, showcasing the constraints imposed on it by the underlying model and introduces practical implications to enhance its efficiency.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

We introduce methods to quantify how Large Language Models (LLMs) encode and store contextual information, revealing that tokens often seen as minor (e.g., determiners, punctuation) carry surprisingly high context. Notably, removing these tokens -- especially stopwords, articles, and commas -- consistently degrades performance on MMLU and BABILong-4k, even if removing only irrelevant tokens. Our analysis also shows a strong correlation between contextualization and linearity, where linearity measures how closely the transformation from one layer's embeddings to the next can be approximated by a single linear mapping. These findings underscore the hidden importance of filler tokens in maintaining context. For further exploration, we present LLM-Microscope, an open-source toolkit that assesses token-level nonlinearity, evaluates contextual memory, visualizes intermediate layer contributions (via an adapted Logit Lens), and measures the intrinsic dimensionality of representations. This toolkit illuminates how seemingly trivial tokens can be critical for long-range understanding.

Large language models (LLMs) have shown impressive capabilities, but still struggle with complex reasoning tasks requiring multiple steps. While prompt-based methods like Chain-of-Thought (CoT) can improve LLM reasoning at inference time, optimizing reasoning capabilities during training remains challenging. We introduce LaTent Reasoning Optimization (LaTRO), a principled framework that formulates reasoning as sampling from a latent distribution and optimizes it via variational approaches. LaTRO enables LLMs to concurrently improve both their reasoning process and ability to evaluate reasoning quality, without requiring external feedback or reward models. We validate LaTRO through experiments on GSM8K and ARC-Challenge datasets using multiple model architectures. On GSM8K, LaTRO improves zero-shot accuracy by an average of 12.5% over base models and 9.6% over supervised fine-tuning across Phi-3.5-mini, Mistral-7B, and Llama-3.1-8B. Our findings suggest that pre-trained LLMs possess latent reasoning capabilities that can be unlocked and enhanced through our proposed optimization approach in a self-improvement manner. The code of LaTRO is available at https://github.com/SalesforceAIResearch/LaTRO.

Self-attention performs well in long context but has quadratic complexity. Existing RNN layers have linear complexity, but their performance in long context is limited by the expressive power of their hidden state. We propose a new class of sequence modeling layers with linear complexity and an expressive hidden state. The key idea is to make the hidden state a machine learning model itself, and the update rule a step of self-supervised learning. Since the hidden state is updated by training even on test sequences, our layers are called Test-Time Training (TTT) layers. We consider two instantiations: TTT-Linear and TTT-MLP, whose hidden state is a linear model and a two-layer MLP respectively. We evaluate our instantiations at the scale of 125M to 1.3B parameters, comparing with a strong Transformer and Mamba, a modern RNN. Both TTT-Linear and TTT-MLP match or exceed the baselines. Similar to Transformer, they can keep reducing perplexity by conditioning on more tokens, while Mamba cannot after 16k context. With preliminary systems optimization, TTT-Linear is already faster than Transformer at 8k context and matches Mamba in wall-clock time. TTT-MLP still faces challenges in memory I/O, but shows larger potential in long context, pointing to a promising direction for future research.

Large language models (LLMs) face a daunting challenge due to the excessive computational and memory requirements of the commonly used Transformer architecture. While state space model (SSM) is a new type of foundational network architecture offering lower computational complexity, their performance has yet to fully rival that of Transformers. This paper introduces DenseSSM, a novel approach to enhance the flow of hidden information between layers in SSMs. By selectively integrating shallowlayer hidden states into deeper layers, DenseSSM retains fine-grained information crucial for the final output. Dense connections enhanced DenseSSM still maintains the training parallelizability and inference efficiency. The proposed method can be widely applicable to various SSM types like RetNet and Mamba. With similar model size, DenseSSM achieves significant improvements, exemplified by DenseRetNet outperforming the original RetNet with up to 5% accuracy improvement on public benchmarks.

Graphic layout generation, a growing research field, plays a significant role in user engagement and information perception. Existing methods primarily treat layout generation as a numerical optimization task, focusing on quantitative aspects while overlooking the semantic information of layout, such as the relationship between each layout element. In this paper, we propose LayoutNUWA, the first model that treats layout generation as a code generation task to enhance semantic information and harness the hidden layout expertise of large language models~(LLMs). More concretely, we develop a Code Instruct Tuning (CIT) approach comprising three interconnected modules: 1) the Code Initialization (CI) module quantifies the numerical conditions and initializes them as HTML code with strategically placed masks; 2) the Code Completion (CC) module employs the formatting knowledge of LLMs to fill in the masked portions within the HTML code; 3) the Code Rendering (CR) module transforms the completed code into the final layout output, ensuring a highly interpretable and transparent layout generation procedure that directly maps code to a visualized layout. We attain significant state-of-the-art performance (even over 50\% improvements) on multiple datasets, showcasing the strong capabilities of LayoutNUWA. Our code is available at https://github.com/ProjectNUWA/LayoutNUWA.

Recent advances in language models have demonstrated their capability to solve mathematical reasoning problems, achieving near-perfect accuracy on grade-school level math benchmarks like GSM8K. In this paper, we formally study how language models solve these problems. We design a series of controlled experiments to address several fundamental questions: (1) Can language models truly develop reasoning skills, or do they simply memorize templates? (2) What is the model's hidden (mental) reasoning process? (3) Do models solve math questions using skills similar to or different from humans? (4) Do models trained on GSM8K-like datasets develop reasoning skills beyond those necessary for solving GSM8K problems? (5) What mental process causes models to make reasoning mistakes? (6) How large or deep must a model be to effectively solve GSM8K-level math questions? Our study uncovers many hidden mechanisms by which language models solve mathematical questions, providing insights that extend beyond current understandings of LLMs.

Modern BPE tokenizers often split calendar dates into meaningless fragments, e.g., 20250312 rightarrow 202, 503, 12, inflating token counts and obscuring the inherent structure needed for robust temporal reasoning. In this work, we (1) introduce a simple yet interpretable metric, termed date fragmentation ratio, that measures how faithfully a tokenizer preserves multi-digit date components; (2) release DateAugBench, a suite of 6500 examples spanning three temporal reasoning tasks: context-based date resolution, format-invariance puzzles, and date arithmetic across historical, contemporary, and future regimes; and (3) through layer-wise probing and causal attention-hop analyses, uncover an emergent date-abstraction mechanism whereby large language models stitch together the fragments of month, day, and year components for temporal reasoning. Our experiments show that excessive fragmentation correlates with accuracy drops of up to 10 points on uncommon dates like historical and futuristic dates. Further, we find that the larger the model, the faster the emergent date abstraction that heals date fragments is accomplished. Lastly, we observe a reasoning path that LLMs follow to assemble date fragments, typically differing from human interpretation (year rightarrow month rightarrow day).

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

Chain-of-Thought (CoT) reasoning has become a powerful framework for improving complex problem-solving capabilities in Multimodal Large Language Models (MLLMs). However, the verbose nature of textual reasoning introduces significant inefficiencies. In this work, we propose Heima (as hidden llama), an efficient reasoning framework that leverages reasoning CoTs at hidden latent space. We design the Heima Encoder to condense each intermediate CoT into a compact, higher-level hidden representation using a single thinking token, effectively minimizing verbosity and reducing the overall number of tokens required during the reasoning process. Meanwhile, we design corresponding Heima Decoder with traditional Large Language Models (LLMs) to adaptively interpret the hidden representations into variable-length textual sequence, reconstructing reasoning processes that closely resemble the original CoTs. Experimental results across diverse reasoning MLLM benchmarks demonstrate that Heima model achieves higher generation efficiency while maintaining or even better zero-shot task accuracy. Moreover, the effective reconstruction of multimodal reasoning processes with Heima Decoder validates both the robustness and interpretability of our approach.

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

Attention is a fundamental component behind the remarkable achievements of large language models (LLMs). However, our current understanding of the attention mechanism, especially regarding how attention distributions are established, remains limited. Inspired by recent studies that explore the presence of attention sink in the initial token, which receives disproportionately large attention scores despite their lack of semantic importance, this work delves deeper into this phenomenon. We aim to provide a more profound understanding of the existence of attention sinks within LLMs and to uncover ways to enhance the achievable accuracy of LLMs by directly optimizing the attention distributions, without the need for weight finetuning. Specifically, this work begins with comprehensive visualizations of the attention distributions in LLMs during inference across various inputs and tasks. Based on these visualizations, to the best of our knowledge, we are the first to discover that (1) attention sinks occur not only at the start of sequences but also within later tokens of the input, and (2) not all attention sinks have a positive impact on the achievable accuracy of LLMs. Building upon our findings, we propose a training-free Attention Calibration Technique (ACT) that automatically optimizes the attention distributions on the fly during inference in an input-adaptive manner. Extensive experiments validate that ACT consistently enhances the accuracy of various LLMs across different applications. Specifically, ACT achieves an average improvement of up to 7.30% in accuracy across different datasets when applied to Llama-30B. Our code is available at https://github.com/GATECH-EIC/ACT.

Red-teaming has been a widely adopted way to evaluate the harmfulness of Large Language Models (LLMs). It aims to jailbreak a model's safety behavior to make it act as a helpful agent disregarding the harmfulness of the query. Existing methods are primarily based on input text-based red-teaming such as adversarial prompts, low-resource prompts, or contextualized prompts to condition the model in a way to bypass its safe behavior. Bypassing the guardrails uncovers hidden harmful information and biases in the model that are left untreated or newly introduced by its safety training. However, prompt-based attacks fail to provide such a diagnosis owing to their low attack success rate, and applicability to specific models. In this paper, we present a new perspective on LLM safety research i.e., parametric red-teaming through Unalignment. It simply (instruction) tunes the model parameters to break model guardrails that are not deeply rooted in the model's behavior. Unalignment using as few as 100 examples can significantly bypass commonly referred to as CHATGPT, to the point where it responds with an 88% success rate to harmful queries on two safety benchmark datasets. On open-source models such as VICUNA-7B and LLAMA-2-CHAT 7B AND 13B, it shows an attack success rate of more than 91%. On bias evaluations, Unalignment exposes inherent biases in safety-aligned models such as CHATGPT and LLAMA- 2-CHAT where the model's responses are strongly biased and opinionated 64% of the time.

Deep neural networks (DNNs) struggle to learn in dynamic environments since they rely on fixed datasets or stationary environments. Continual learning (CL) aims to address this limitation and enable DNNs to accumulate knowledge incrementally, similar to human learning. Inspired by how our brain consolidates memories, a powerful strategy in CL is replay, which involves training the DNN on a mixture of new and all seen classes. However, existing replay methods overlook two crucial aspects of biological replay: 1) the brain replays processed neural patterns instead of raw input, and 2) it prioritizes the replay of recently learned information rather than revisiting all past experiences. To address these differences, we propose SHARP, an efficient neuro-inspired CL method that leverages sparse dynamic connectivity and activation replay. Unlike other activation replay methods, which assume layers not subjected to replay have been pretrained and fixed, SHARP can continually update all layers. Also, SHARP is unique in that it only needs to replay few recently seen classes instead of all past classes. Our experiments on five datasets demonstrate that SHARP outperforms state-of-the-art replay methods in class incremental learning. Furthermore, we showcase SHARP's flexibility in a novel CL scenario where the boundaries between learning episodes are blurry. The SHARP code is available at https://github.com/BurakGurbuz97/SHARP-Continual-Learning.

Large models have recently played a dominant role in natural language processing and multimodal vision-language learning. It remains less explored about their efficacy in text-related visual tasks. We conducted a comprehensive study of existing publicly available multimodal models, evaluating their performance in text recognition (document text, artistic text, handwritten text, scene text), text-based visual question answering (document text, scene text, and bilingual text), key information extraction (receipts, documents, and nutrition facts) and handwritten mathematical expression recognition. Our findings reveal strengths and weaknesses in these models, which primarily rely on semantic understanding for word recognition and exhibit inferior perception of individual character shapes. They also display indifference towards text length and have limited capabilities in detecting finegrained features in images. Consequently, these results demonstrate that even the current most powerful large multimodal models cannot match domain-specific methods in traditional text tasks and face greater challenges in more complex tasks. Most importantly, the baseline results showcased in this study could provide a foundational framework for the conception and assessment of innovative strategies targeted at enhancing zero-shot multimodal techniques. Evaluation pipeline is available at https://github.com/Yuliang-Liu/MultimodalOCR.

Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we investigate whether GNNs can exploit the graph structure from the perspective of the expressive power of GNNs. In our analysis, we consider graph generation processes that are controlled by hidden (or latent) node features, which contain all information about the graph structure. A typical example of this framework is kNN graphs constructed from the hidden features. In our main results, we show that GNNs can recover the hidden node features from the input graph alone, even when all node features, including the hidden features themselves and any indirect hints, are unavailable. GNNs can further use the recovered node features for downstream tasks. These results show that GNNs can fully exploit the graph structure by themselves, and in effect, GNNs can use both the hidden and explicit node features for downstream tasks. In the experiments, we confirm the validity of our results by showing that GNNs can accurately recover the hidden features using a GNN architecture built based on our theoretical analysis.

Reasoning models have achieved remarkable performance on tasks like math and logical reasoning thanks to their ability to search during reasoning. However, they still suffer from overthinking, often performing unnecessary reasoning steps even after reaching the correct answer. This raises the question: can models evaluate the correctness of their intermediate answers during reasoning? In this work, we study whether reasoning models encode information about answer correctness through probing the model's hidden states. The resulting probe can verify intermediate answers with high accuracy and produces highly calibrated scores. Additionally, we find models' hidden states encode correctness of future answers, enabling early prediction of the correctness before the intermediate answer is fully formulated. We then use the probe as a verifier to decide whether to exit reasoning at intermediate answers during inference, reducing the number of inference tokens by 24\% without compromising performance. These findings confirm that reasoning models do encode a notion of correctness yet fail to exploit it, revealing substantial untapped potential to enhance their efficiency.

This paper tackles the challenge of detecting partially manipulated facial deepfakes, which involve subtle alterations to specific facial features while retaining the overall context, posing a greater detection difficulty than fully synthetic faces. We leverage the Contrastive Language-Image Pre-training (CLIP) model, specifically its ViT-L/14 visual encoder, to develop a generalizable detection method that performs robustly across diverse datasets and unknown forgery techniques with minimal modifications to the original model. The proposed approach utilizes parameter-efficient fine-tuning (PEFT) techniques, such as LN-tuning, to adjust a small subset of the model's parameters, preserving CLIP's pre-trained knowledge and reducing overfitting. A tailored preprocessing pipeline optimizes the method for facial images, while regularization strategies, including L2 normalization and metric learning on a hyperspherical manifold, enhance generalization. Trained on the FaceForensics++ dataset and evaluated in a cross-dataset fashion on Celeb-DF-v2, DFDC, FFIW, and others, the proposed method achieves competitive detection accuracy comparable to or outperforming much more complex state-of-the-art techniques. This work highlights the efficacy of CLIP's visual encoder in facial deepfake detection and establishes a simple, powerful baseline for future research, advancing the field of generalizable deepfake detection. The code is available at: https://github.com/yermandy/deepfake-detection

A critical part of creating code suggestion systems is the pre-training of Large Language Models on vast amounts of source code and natural language text, often of questionable origin or quality. This may contribute to the presence of bugs and vulnerabilities in code generated by LLMs. While efforts to identify bugs at or after code generation exist, it is preferable to pre-train or fine-tune LLMs on curated, high-quality, and compliant datasets. The need for vast amounts of training data necessitates that such curation be automated, minimizing human intervention. We propose an automated source code autocuration technique that leverages the complete version history of open-source software projects to improve the quality of training data. This approach leverages the version history of all OSS projects to identify training data samples that have been modified or have undergone changes in at least one OSS project, and pinpoint a subset of samples that include fixes for bugs or vulnerabilities. We evaluate this method using The Stack v2 dataset, and find that 17% of the code versions in the dataset have newer versions, with 17% of those representing bug fixes, including 2.36% addressing known CVEs. The deduplicated version of Stack v2 still includes blobs vulnerable to 6,947 known CVEs. Furthermore, 58% of the blobs in the dataset were never modified after creation, suggesting they likely represent software with minimal or no use. Misidentified blob origins present an additional challenge, as they lead to the inclusion of non-permissively licensed code, raising serious compliance concerns. By addressing these issues, the training of new models can avoid perpetuating buggy code patterns or license violations. We expect our results to inspire process improvements for automated data curation, with the potential to enhance the reliability of outputs generated by AI tools.

Large language models (LLMs) have recently shown remarkable performance across a wide range of tasks. However, the substantial number of parameters in LLMs contributes to significant latency during model inference. This is particularly evident when utilizing autoregressive decoding methods, which generate one token in a single forward process, thereby not fully capitalizing on the parallel computing capabilities of GPUs. In this paper, we propose a novel parallel decoding approach, namely hidden transfer, which decodes multiple successive tokens simultaneously in a single forward pass. The idea is to transfer the intermediate hidden states of the previous context to the pseudo hidden states of the future tokens to be generated, and then the pseudo hidden states will pass the following transformer layers thereby assimilating more semantic information and achieving superior predictive accuracy of the future tokens. Besides, we use the novel tree attention mechanism to simultaneously generate and verify multiple candidates of output sequences, which ensure the lossless generation and further improves the generation efficiency of our method. Experiments demonstrate the effectiveness of our method. We conduct a lot of analytic experiments to prove our motivation. In terms of acceleration metrics, we outperform all the single-model acceleration techniques, including Medusa and Self-Speculative decoding.

Autoregressive Large Language Models (e.g., LLaMa, GPTs) are omnipresent achieving remarkable success in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges for autoregressive token-by-token generation. To mitigate computation overload incurred during generation, several early-exit and layer-dropping strategies have been proposed. Despite some promising success due to the redundancy across LLMs layers on metrics like Rough-L/BLUE, our careful knowledge-intensive evaluation unveils issues such as generation collapse, hallucination of wrong facts, and noticeable performance drop even at the trivial exit ratio of 10-15% of layers. We attribute these errors primarily to ineffective handling of the KV cache through state copying during early-exit. In this work, we observed the saturation of computationally expensive feed-forward blocks of LLM layers and proposed FFN-SkipLLM, which is a novel fine-grained skip strategy of autoregressive LLMs. More specifically, FFN-SkipLLM is an input-adaptive feed-forward skipping strategy that can skip 25-30% of FFN blocks of LLMs with marginal change in performance on knowledge-intensive generation tasks without any requirement to handle KV cache. Our extensive experiments and ablation across benchmarks like MT-Bench, Factoid-QA, and variable-length text summarization illustrate how our simple and ease-at-use method can facilitate faster autoregressive decoding.

Despite remarkable advances that large language models have achieved in chatbots, maintaining a non-toxic user-AI interactive environment has become increasingly critical nowadays. However, previous efforts in toxicity detection have been mostly based on benchmarks derived from social media content, leaving the unique challenges inherent to real-world user-AI interactions insufficiently explored. In this work, we introduce ToxicChat, a novel benchmark based on real user queries from an open-source chatbot. This benchmark contains the rich, nuanced phenomena that can be tricky for current toxicity detection models to identify, revealing a significant domain difference compared to social media content. Our systematic evaluation of models trained on existing toxicity datasets has shown their shortcomings when applied to this unique domain of ToxicChat. Our work illuminates the potentially overlooked challenges of toxicity detection in real-world user-AI conversations. In the future, ToxicChat can be a valuable resource to drive further advancements toward building a safe and healthy environment for user-AI interactions.

Prompt tuning and adapter tuning have shown great potential in transferring pre-trained vision-language models (VLMs) to various downstream tasks. In this work, we design a new type of tuning method, termed as regularized mask tuning, which masks the network parameters through a learnable selection. Inspired by neural pathways, we argue that the knowledge required by a downstream task already exists in the pre-trained weights but just gets concealed in the upstream pre-training stage. To bring the useful knowledge back into light, we first identify a set of parameters that are important to a given downstream task, then attach a binary mask to each parameter, and finally optimize these masks on the downstream data with the parameters frozen. When updating the mask, we introduce a novel gradient dropout strategy to regularize the parameter selection, in order to prevent the model from forgetting old knowledge and overfitting the downstream data. Experimental results on 11 datasets demonstrate the consistent superiority of our method over previous alternatives. It is noteworthy that we manage to deliver 18.73% performance improvement compared to the zero-shot CLIP via masking an average of only 2.56% parameters. Furthermore, our method is synergistic with most existing parameter-efficient tuning methods and can boost the performance on top of them. Project page can be found here (https://wuw2019.github.io/R-AMT/).

One of the most pressing challenges in the digital media landscape is understanding the impact of biases on the news sources that people rely on for information. Biased news can have significant and far-reaching consequences, influencing our perspectives and shaping the decisions we make, potentially endangering the public and individual well-being. With the advent of the Internet and social media, discussions have moved online, making it easier to disseminate both accurate and inaccurate information. To combat mis- and dis-information, many have begun to evaluate the reliability of news sources, but these assessments often only examine the validity of the news (narrative bias) and neglect other types of biases, such as the deliberate selection of events to favor certain perspectives (selection bias). This paper aims to investigate these biases in various news sources and their correlation with third-party evaluations of reliability, engagement, and online audiences. Using machine learning to classify content, we build a six-year dataset on the Italian vaccine debate and adopt a Bayesian latent space model to identify narrative and selection biases. Our results show that the source classification provided by third-party organizations closely follows the narrative bias dimension, while it is much less accurate in identifying the selection bias. Moreover, we found a nonlinear relationship between biases and engagement, with higher engagement for extreme positions. Lastly, analysis of news consumption on Twitter reveals common audiences among news outlets with similar ideological positions.

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.

With few exceptions, neural networks have been relying on backpropagation and gradient descent as the inference engine in order to learn the model parameters, because the closed-form Bayesian inference for neural networks has been considered to be intractable. In this paper, we show how we can leverage the tractable approximate Gaussian inference's (TAGI) capabilities to infer hidden states, rather than only using it for inferring the network's parameters. One novel aspect it allows is to infer hidden states through the imposition of constraints designed to achieve specific objectives, as illustrated through three examples: (1) the generation of adversarial-attack examples, (2) the usage of a neural network as a black-box optimization method, and (3) the application of inference on continuous-action reinforcement learning. These applications showcase how tasks that were previously reserved to gradient-based optimization approaches can now be approached with analytically tractable inference

Occlusions pose a significant challenge to optical flow algorithms that rely on local evidences. We consider an occluded point to be one that is imaged in the first frame but not in the next, a slight overloading of the standard definition since it also includes points that move out-of-frame. Estimating the motion of these points is extremely difficult, particularly in the two-frame setting. Previous work relies on CNNs to learn occlusions, without much success, or requires multiple frames to reason about occlusions using temporal smoothness. In this paper, we argue that the occlusion problem can be better solved in the two-frame case by modelling image self-similarities. We introduce a global motion aggregation module, a transformer-based approach to find long-range dependencies between pixels in the first image, and perform global aggregation on the corresponding motion features. We demonstrate that the optical flow estimates in the occluded regions can be significantly improved without damaging the performance in non-occluded regions. This approach obtains new state-of-the-art results on the challenging Sintel dataset, improving the average end-point error by 13.6% on Sintel Final and 13.7% on Sintel Clean. At the time of submission, our method ranks first on these benchmarks among all published and unpublished approaches. Code is available at https://github.com/zacjiang/GMA

System logs record detailed runtime information of software systems and are used as the main data source for many tasks around software engineering. As modern software systems are evolving into large scale and complex structures, logs have become one type of fast-growing big data in industry. In particular, such logs often need to be stored for a long time in practice (e.g., a year), in order to analyze recurrent problems or track security issues. However, archiving logs consumes a large amount of storage space and computing resources, which in turn incurs high operational cost. Data compression is essential to reduce the cost of log storage. Traditional compression tools (e.g., gzip) work well for general texts, but are not tailed for system logs. In this paper, we propose a novel and effective log compression method, namely logzip. Logzip is capable of extracting hidden structures from raw logs via fast iterative clustering and further generating coherent intermediate representations that allow for more effective compression. We evaluate logzip on five large log datasets of different system types, with a total of 63.6 GB in size. The results show that logzip can save about half of the storage space on average over traditional compression tools. Meanwhile, the design of logzip is highly parallel and only incurs negligible overhead. In addition, we share our industrial experience of applying logzip to Huawei's real products.

Despite their increasing popularity and success in a variety of supervised learning problems, deep neural networks are extremely hard to interpret and debug: Given and already trained Deep Neural Net, and a set of test inputs, how can we gain insight into how those inputs interact with different layers of the neural network? Furthermore, can we characterize a given deep neural network based on it's observed behavior on different inputs? In this paper we propose a novel factorization based approach on understanding how different deep neural networks operate. In our preliminary results, we identify fascinating patterns that link the factorization rank (typically used as a measure of interestingness in unsupervised data analysis) with how well or poorly the deep network has been trained. Finally, our proposed approach can help provide visual insights on how high-level. interpretable patterns of the network's input behave inside the hidden layers of the deep network.

The Weak Gravity Conjecture has recently been re-formulated in terms of a particle with non-negative self-binding energy. Because of the dual conformal field theory (CFT) formulation in the anti-de Sitter space the conformal dimension Delta (Q) of the lowest-dimension operator with charge Q under some global U(1) symmetry must be a convex function of Q. This property has been conjectured to hold for any (unitary) conformal field theory and generalized to larger global symmetry groups. Here we refine and further test the convex charge conjecture via semiclassical computations for fixed charge sectors of different theories in different dimensions. We analyze the convexity properties of the leading and next-to-leading order terms stemming from the semiclassical computation, de facto, extending previous tests beyond the leading perturbative contributions and to arbitrary charges. In particular, the leading contribution is sufficient to test convexity in the semiclassical computations. We also consider intriguing cases in which the models feature a transition from real to complex conformal dimensions either as a function of the charge or number of matter fields. As a relevant example of the first kind, we investigate the O(N) model in 4+epsilon dimensions. As an example of the second type we consider the U(N)times U(M) model in 4-epsilon dimensions. Both models display a rich dynamics where, by changing the number of matter fields and/or charge, one can achieve dramatically different physical regimes. We discover that whenever a complex conformal dimension appears, the real part satisfies the convexity property.

In this paper we deploy for the first time Reinforcement-Learning algorithms in the context of the conformal-bootstrap programme to obtain numerical solutions of conformal field theories (CFTs). As an illustration, we use a soft Actor-Critic algorithm and find approximate solutions to the truncated crossing equations of two-dimensional CFTs, successfully identifying well-known theories like the 2D Ising model and the 2D CFT of a compactified scalar. Our methods can perform efficient high-dimensional searches that can be used to study arbitrary (unitary or non-unitary) CFTs in any spacetime dimension.

In many natural and engineered systems, unknown quantum channels act on a subsystem that cannot be directly controlled and measured, but is instead learned through a controllable subsystem that weakly interacts with it. We study quantum channel discrimination (QCD) under these restrictions, which we call hidden system QCD (HQCD). We find that sequential protocols achieve perfect discrimination and saturate the Heisenberg limit. In contrast, depth-1 parallel and multi-shot protocols cannot solve HQCD. This suggests that sequential protocols are superior in experimentally realistic situations.

Inspecting the information encoded in hidden representations of large language models (LLMs) can explain models' behavior and verify their alignment with human values. Given the capabilities of LLMs in generating human-understandable text, we propose leveraging the model itself to explain its internal representations in natural language. We introduce a framework called Patchscopes and show how it can be used to answer a wide range of research questions about an LLM's computation. We show that prior interpretability methods based on projecting representations into the vocabulary space and intervening on the LLM computation, can be viewed as special instances of this framework. Moreover, several of their shortcomings such as failure in inspecting early layers or lack of expressivity can be mitigated by a Patchscope. Beyond unifying prior inspection techniques, Patchscopes also opens up new possibilities such as using a more capable model to explain the representations of a smaller model, and unlocks new applications such as self-correction in multi-hop reasoning.

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

Recent work has shown that the training of a one-hidden-layer, scalar-output fully-connected ReLU neural network can be reformulated as a finite-dimensional convex program. Unfortunately, the scale of such a convex program grows exponentially in data size. In this work, we prove that a stochastic procedure with a linear complexity well approximates the exact formulation. Moreover, we derive a convex optimization approach to efficiently solve the "adversarial training" problem, which trains neural networks that are robust to adversarial input perturbations. Our method can be applied to binary classification and regression, and provides an alternative to the current adversarial training methods, such as Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD). We demonstrate in experiments that the proposed method achieves a noticeably better adversarial robustness and performance than the existing methods.

Recent works have demonstrated reasonable success of representation learning in hypercomplex space. Specifically, "fully-connected layers with Quaternions" (4D hypercomplex numbers), which replace real-valued matrix multiplications in fully-connected layers with Hamilton products of Quaternions, both enjoy parameter savings with only 1/4 learnable parameters and achieve comparable performance in various applications. However, one key caveat is that hypercomplex space only exists at very few predefined dimensions (4D, 8D, and 16D). This restricts the flexibility of models that leverage hypercomplex multiplications. To this end, we propose parameterizing hypercomplex multiplications, allowing models to learn multiplication rules from data regardless of whether such rules are predefined. As a result, our method not only subsumes the Hamilton product, but also learns to operate on any arbitrary nD hypercomplex space, providing more architectural flexibility using arbitrarily 1/n learnable parameters compared with the fully-connected layer counterpart. Experiments of applications to the LSTM and Transformer models on natural language inference, machine translation, text style transfer, and subject verb agreement demonstrate architectural flexibility and effectiveness of the proposed approach.

We study a version of adversarial classification where an adversary is empowered to corrupt data inputs up to some distance varepsilon, using tools from variational analysis. In particular, we describe necessary conditions associated with the optimal classifier subject to such an adversary. Using the necessary conditions, we derive a geometric evolution equation which can be used to track the change in classification boundaries as varepsilon varies. This evolution equation may be described as an uncoupled system of differential equations in one dimension, or as a mean curvature type equation in higher dimension. In one dimension, and under mild assumptions on the data distribution, we rigorously prove that one can use the initial value problem starting from varepsilon=0, which is simply the Bayes classifier, in order to solve for the global minimizer of the adversarial problem for small values of varepsilon. In higher dimensions we provide a similar result, albeit conditional to the existence of regular solutions of the initial value problem. In the process of proving our main results we obtain a result of independent interest connecting the original adversarial problem with an optimal transport problem under no assumptions on whether classes are balanced or not. Numerical examples illustrating these ideas are also presented.

Anomalies in transverse Ward--Takahashi identities are studied, allowing discussion of the feasibility of anomalies arising in general non-symmetry Ward--Takahashi identities. We adopt the popular Fujikawa's method and rigorous dimensional renormalization to verify the existence of transverse anomalies to one-loop order and any loop order, respectively. The arbitrariness of coefficients of transverse anomalies is revealed, and a way out is also proposed after relating transverse anomalies to Schwinger terms and comparing symmetry and non-symmetry anomalies. Papers that claim the non-existence of transverse anomalies are reviewed to find anomalies hidden in their approaches. The role played by transverse anomalies is discussed.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Many deep generative models are defined as a push-forward of a Gaussian measure by a continuous generator, such as Generative Adversarial Networks (GANs) or Variational Auto-Encoders (VAEs). This work explores the latent space of such deep generative models. A key issue with these models is their tendency to output samples outside of the support of the target distribution when learning disconnected distributions. We investigate the relationship between the performance of these models and the geometry of their latent space. Building on recent developments in geometric measure theory, we prove a sufficient condition for optimality in the case where the dimension of the latent space is larger than the number of modes. Through experiments on GANs, we demonstrate the validity of our theoretical results and gain new insights into the latent space geometry of these models. Additionally, we propose a truncation method that enforces a simplicial cluster structure in the latent space and improves the performance of GANs.

The success of deep neural nets heavily relies on their ability to encode complex relations between their input and their output. While this property serves to fit the training data well, it also obscures the mechanism that drives prediction. This study aims to reveal hidden concepts by employing an intervention mechanism that shifts the predicted class based on discrete variational autoencoders. An explanatory model then visualizes the encoded information from any hidden layer and its corresponding intervened representation. By the assessment of differences between the original representation and the intervened representation, one can determine the concepts that can alter the class, hence providing interpretability. We demonstrate the effectiveness of our approach on CelebA, where we show various visualizations for bias in the data and suggest different interventions to reveal and change bias.

Mechanistic Interpretability (MI) promises a path toward fully understanding how neural networks make their predictions. Prior work demonstrates that even when trained to perform simple arithmetic, models can implement a variety of algorithms (sometimes concurrently) depending on initialization and hyperparameters. Does this mean neuron-level interpretability techniques have limited applicability? We argue that high-dimensional neural networks can learn low-dimensional representations of their training data that are useful beyond simply making good predictions. Such representations can be understood through the mechanistic interpretability lens and provide insights that are surprisingly faithful to human-derived domain knowledge. This indicates that such approaches to interpretability can be useful for deriving a new understanding of a problem from models trained to solve it. As a case study, we extract nuclear physics concepts by studying models trained to reproduce nuclear data.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.

Existing works have extensively studied adversarial examples, which are minimal perturbations that can mislead the output of deep neural networks (DNNs) while remaining imperceptible to humans. However, in this work, we reveal the existence of a harmless perturbation space, in which perturbations drawn from this space, regardless of their magnitudes, leave the network output unchanged when applied to inputs. Essentially, the harmless perturbation space emerges from the usage of non-injective functions (linear or non-linear layers) within DNNs, enabling multiple distinct inputs to be mapped to the same output. For linear layers with input dimensions exceeding output dimensions, any linear combination of the orthogonal bases of the nullspace of the parameter consistently yields no change in their output. For non-linear layers, the harmless perturbation space may expand, depending on the properties of the layers and input samples. Inspired by this property of DNNs, we solve for a family of general perturbation spaces that are redundant for the DNN's decision, and can be used to hide sensitive data and serve as a means of model identification. Our work highlights the distinctive robustness of DNNs (i.e., consistency under large magnitude perturbations) in contrast to adversarial examples (vulnerability for small imperceptible noises).

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Identifying low-dimensional latent structures within high-dimensional data has long been a central topic in the machine learning community, driven by the need for data compression, storage, transmission, and deeper data understanding. Traditional methods, such as principal component analysis (PCA) and autoencoders (AE), operate in an unsupervised manner, ignoring label information even when it is available. In this work, we introduce a unified method capable of learning latent spaces in both unsupervised and supervised settings. We formulate the problem as a nonlinear multiple-response regression within an index model context. By applying the generalized Stein's lemma, the latent space can be estimated without knowing the nonlinear link functions. Our method can be viewed as a nonlinear generalization of PCA. Moreover, unlike AE and other neural network methods that operate as "black boxes", our approach not only offers better interpretability but also reduces computational complexity while providing strong theoretical guarantees. Comprehensive numerical experiments and real data analyses demonstrate the superior performance of our method.

We identify five selected open problems in the theory of quantum information, which are rather simple to formulate, were well-studied in the literature, but are technically not easy. As these problems enjoy diverse mathematical connections, they offer a huge breakthrough potential. The first four concern existence of certain objects relevant for quantum information, namely a family of symmetric informationally complete generalized measurements in an infinite sequence of dimensions, mutually unbiased bases in dimension six, absolutely maximally entangled states for four subsystems with six levels each and bound entangled states with negative partial transpose. The fifth problem requires checking whether a certain state of a two-ququart system is 2-copy distillable. An award for solving each of them is announced.

Causal discovery, i.e., inferring underlying cause-effect relationships from observations of a scene or system, is an inherent mechanism in human cognition, but has been shown to be highly challenging to automate. The majority of approaches in the literature aiming for this task consider constrained scenarios with fully observed variables or data from stationary time-series. In this work we aim for causal discovery in a more general class of scenarios, scenes with non-stationary behavior over time. For our purposes we here regard a scene as a composition objects interacting with each other over time. Non-stationarity is modeled as stationarity conditioned on an underlying variable, a state, which can be of varying dimension, more or less hidden given observations of the scene, and also depend more or less directly on these observations. We propose a probabilistic deep learning approach called State-Dependent Causal Inference (SDCI) for causal discovery in such conditionally stationary time-series data. Results in two different synthetic scenarios show that this method is able to recover the underlying causal dependencies with high accuracy even in cases with hidden states.

Sparse autoencoders (SAEs) have lately been used to uncover interpretable latent features in large language models. Here, we explore their potential for decomposing latent representations in complex and high-dimensional biological data, where the underlying variables are often unknown. On simulated data we show that generative hidden variables can be captured in learned representations in the form of superpositions. The degree to which they are learned depends on the completeness of the representations. Superpositions, however, are not identifiable if these generative variables are unknown. SAEs can to some extent recover these variables, yielding interpretable features. Applied to single-cell multi-omics data, we show that an SAE can uncover key biological processes such as carbon dioxide transport and ion homeostasis, which are crucial for red blood cell differentiation and immune function. Our findings highlight how SAEs can be used in advancing interpretability in biological and other scientific domains.

This concept paper aims to provide a brief outline of quantum computers, explore existing methods of quantum image classification techniques, so focusing on remote sensing applications, and discuss the bottlenecks of performing these algorithms on currently available open source platforms. Initial results demonstrate feasibility. Next steps include expanding the size of the quantum hidden layer and increasing the variety of output image options.

Generalized Category Discovery (GCD) is an intriguing open-world problem that has garnered increasing attention. Given a dataset that includes both labelled and unlabelled images, GCD aims to categorize all images in the unlabelled subset, regardless of whether they belong to known or unknown classes. In GCD, the common practice typically involves applying a spherical projection operator at the end of the self-supervised pretrained backbone, operating within Euclidean or spherical space. However, both of these spaces have been shown to be suboptimal for encoding samples that possesses hierarchical structures. In contrast, hyperbolic space exhibits exponential volume growth relative to radius, making it inherently strong at capturing the hierarchical structure of samples from both seen and unseen categories. Therefore, we propose to tackle the category discovery challenge in the hyperbolic space. We introduce HypCD, a simple Hyperbolic framework for learning hierarchy-aware representations and classifiers for generalized Category Discovery. HypCD first transforms the Euclidean embedding space of the backbone network into hyperbolic space, facilitating subsequent representation and classification learning by considering both hyperbolic distance and the angle between samples. This approach is particularly helpful for knowledge transfer from known to unknown categories in GCD. We thoroughly evaluate HypCD on public GCD benchmarks, by applying it to various baseline and state-of-the-art methods, consistently achieving significant improvements.

We discuss relevant scalar deformations of a holographic theory with a compact boundary. An example of such a theory would be the global AdS_4 with its spatially compact boundary S^2. To introduce a relevant deformation, we choose to turn on a time-independent and spatially homogeneous non-normalizable scalar operator with m^2 = -2. The finite size of a compact boundary cuts down the RG flow at a finite length scale leading to an incomplete RG flow to IR. We discuss a version of {\it incomplete} C-theorem and an {\it incomplete} attractor like mechanism. We discuss the implication of our results for entanglement entropy and geometric quantities like scalar curvature, volume and mass scale of fundamental excitation of the how these quantities increase or decrease (often monotonically) with the strength of the deformation. Thermal physics of a holographic theory defined on a compact boundary is more interesting than its non-compact counterpart. It is well known that with a compact boundary, there is a possibility of a first order Hawking-Page transition dual to a de-confinement phase transition. From a gravity perspective, a relevant deformation dumps negative energy inside the bulk, increasing the effective cosmological constant (Lambda) of the AdS. Dumping more negative energy in the bulk would make the HP transition harder and the corresponding HP transition temperature would increase. However, we have found the size of the BH at the transition temperature decreases.

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

Type IIB supergravity enjoys a discrete non-Abelian duality group, which has potential quantum anomalies. In this paper we explicitly compute these, and present the bordism group that controls them, modulo some physically motivated assumptions. Quite surprisingly, we find that they do not vanish, which naively would signal an inconsistency of F-theory. Remarkably, a subtle modification of the standard 10d Chern-Simons term cancels these anomalies, a fact which relies on the ***specific*** field content of type IIB supergravity. We also discover other ways to cancel this anomaly, via a topological analog of the Green-Schwarz mechanism. These alternative type IIB theories have the same low energy supergravity limit as ordinary type IIB, but a different spectrum of extended objects. They could either be part of the Swampland, or connect to the standard theory via domain walls.

Emergent properties have been widely adopted as a term to describe behavior not present in smaller models but observed in larger models. Recent work suggests that the trade-off incurred by quantization is also an emergent property, with sharp drops in performance in models over 6B parameters. In this work, we ask "are quantization cliffs in performance solely a factor of scale?" Against a backdrop of increased research focus on why certain emergent properties surface at scale, this work provides a useful counter-example. We posit that it is possible to optimize for a quantization friendly training recipe that suppresses large activation magnitude outliers. Here, we find that outlier dimensions are not an inherent product of scale, but rather sensitive to the optimization conditions present during pre-training. This both opens up directions for more efficient quantization, and poses the question of whether other emergent properties are inherent or can be altered and conditioned by optimization and architecture design choices. We successfully quantize models ranging in size from 410M to 52B with minimal degradation in performance.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

The autoencoder is an unsupervised learning paradigm that aims to create a compact latent representation of data by minimizing the reconstruction loss. However, it tends to overlook the fact that most data (images) are embedded in a lower-dimensional space, which is crucial for effective data representation. To address this limitation, we propose a novel approach called Low-Rank Autoencoder (LoRAE). In LoRAE, we incorporated a low-rank regularizer to adaptively reconstruct a low-dimensional latent space while preserving the basic objective of an autoencoder. This helps embed the data in a lower-dimensional space while preserving important information. It is a simple autoencoder extension that learns low-rank latent space. Theoretically, we establish a tighter error bound for our model. Empirically, our model's superiority shines through various tasks such as image generation and downstream classification. Both theoretical and practical outcomes highlight the importance of acquiring low-dimensional embeddings.

Most existing causal discovery methods rely on the assumption of no latent confounders, limiting their applicability in solving real-life problems. In this paper, we introduce a novel, versatile framework for causal discovery that accommodates the presence of causally-related hidden variables almost everywhere in the causal network (for instance, they can be effects of observed variables), based on rank information of covariance matrix over observed variables. We start by investigating the efficacy of rank in comparison to conditional independence and, theoretically, establish necessary and sufficient conditions for the identifiability of certain latent structural patterns. Furthermore, we develop a Rank-based Latent Causal Discovery algorithm, RLCD, that can efficiently locate hidden variables, determine their cardinalities, and discover the entire causal structure over both measured and hidden ones. We also show that, under certain graphical conditions, RLCD correctly identifies the Markov Equivalence Class of the whole latent causal graph asymptotically. Experimental results on both synthetic and real-world personality data sets demonstrate the efficacy of the proposed approach in finite-sample cases.

The study of universal approximation properties (UAP) for neural networks (NN) has a long history. When the network width is unlimited, only a single hidden layer is sufficient for UAP. In contrast, when the depth is unlimited, the width for UAP needs to be not less than the critical width w^*_{min}=max(d_x,d_y), where d_x and d_y are the dimensions of the input and output, respectively. Recently, cai2022achieve shows that a leaky-ReLU NN with this critical width can achieve UAP for L^p functions on a compact domain K, i.e., the UAP for L^p(K,R^{d_y}). This paper examines a uniform UAP for the function class C(K,R^{d_y}) and gives the exact minimum width of the leaky-ReLU NN as w_{min}=max(d_x+1,d_y)+1_{d_y=d_x+1}, which involves the effects of the output dimensions. To obtain this result, we propose a novel lift-flow-discretization approach that shows that the uniform UAP has a deep connection with topological theory.

Given that visual foundation models (VFMs) are trained on extensive datasets but often limited to 2D images, a natural question arises: how well do they understand the 3D world? With the differences in architecture and training protocols (i.e., objectives, proxy tasks), a unified framework to fairly and comprehensively probe their 3D awareness is urgently needed. Existing works on 3D probing suggest single-view 2.5D estimation (e.g., depth and normal) or two-view sparse 2D correspondence (e.g., matching and tracking). Unfortunately, these tasks ignore texture awareness, and require 3D data as ground-truth, which limits the scale and diversity of their evaluation set. To address these issues, we introduce Feat2GS, which readout 3D Gaussians attributes from VFM features extracted from unposed images. This allows us to probe 3D awareness for geometry and texture via novel view synthesis, without requiring 3D data. Additionally, the disentanglement of 3DGS parameters - geometry (x, alpha, Sigma) and texture (c) - enables separate analysis of texture and geometry awareness. Under Feat2GS, we conduct extensive experiments to probe the 3D awareness of several VFMs, and investigate the ingredients that lead to a 3D aware VFM. Building on these findings, we develop several variants that achieve state-of-the-art across diverse datasets. This makes Feat2GS useful for probing VFMs, and as a simple-yet-effective baseline for novel-view synthesis. Code and data will be made available at https://fanegg.github.io/Feat2GS/.

We study the impact on mechanisms for facility location of moving from one dimension to two (or more) dimensions and Euclidean or Manhattan distances. We consider three fundamental axiomatic properties: anonymity which is a basic fairness property, Pareto optimality which is one of the most important efficiency properties, and strategy proofness which ensures agents do not have an incentive to mis-report. We also consider how well such mechanisms can approximate the optimal welfare. Our results are somewhat negative. Moving from one dimension to two (or more) dimensions often makes these axiomatic properties more difficult to achieve. For example, with two facilities in Euclidean space or with just a single facility in Manhattan space, no mechanism is anonymous, Pareto optimal and strategy proof. By contrast, mechanisms on the line exist with all three properties.We also show that approximation ratios may increase when moving to two (or more) dimensions. All our impossibility results are minimal. If we drop one of the three axioms (anonymity, Pareto optimality or strategy proofness) multiple mechanisms satisfy the other two axioms.

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits.

We conjecture that hidden state vectors corresponding to individual input tokens encode information sufficient to accurately predict several tokens ahead. More concretely, in this paper we ask: Given a hidden (internal) representation of a single token at position t in an input, can we reliably anticipate the tokens that will appear at positions geq t + 2? To test this, we measure linear approximation and causal intervention methods in GPT-J-6B to evaluate the degree to which individual hidden states in the network contain signal rich enough to predict future hidden states and, ultimately, token outputs. We find that, at some layers, we can approximate a model's output with more than 48% accuracy with respect to its prediction of subsequent tokens through a single hidden state. Finally we present a "Future Lens" visualization that uses these methods to create a new view of transformer states.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

Since the introduction of deep learning, a wide scope of representation properties, such as decorrelation, whitening, disentanglement, rank, isotropy, and mutual information, have been studied to improve the quality of representation. However, manipulating such properties can be challenging in terms of implementational effectiveness and general applicability. To address these limitations, we propose to regularize von Neumann entropy~(VNE) of representation. First, we demonstrate that the mathematical formulation of VNE is superior in effectively manipulating the eigenvalues of the representation autocorrelation matrix. Then, we demonstrate that it is widely applicable in improving state-of-the-art algorithms or popular benchmark algorithms by investigating domain-generalization, meta-learning, self-supervised learning, and generative models. In addition, we formally establish theoretical connections with rank, disentanglement, and isotropy of representation. Finally, we provide discussions on the dimension control of VNE and the relationship with Shannon entropy. Code is available at: https://github.com/jaeill/CVPR23-VNE.

We provide an optimization-based framework to perform counterfactual analysis in a dynamic model with hidden states. Our framework is grounded in the ``abduction, action, and prediction'' approach to answer counterfactual queries and handles two key challenges where (1) the states are hidden and (2) the model is dynamic. Recognizing the lack of knowledge on the underlying causal mechanism and the possibility of infinitely many such mechanisms, we optimize over this space and compute upper and lower bounds on the counterfactual quantity of interest. Our work brings together ideas from causality, state-space models, simulation, and optimization, and we apply it on a breast cancer case study. To the best of our knowledge, we are the first to compute lower and upper bounds on a counterfactual query in a dynamic latent-state model.

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.

Large Language Models (LLMs) are increasingly applied in various real-world scenarios due to their excellent generalization capabilities and robust generative abilities. However, they exhibit position bias, also known as "lost in the middle", a phenomenon that is especially pronounced in long-context scenarios, which indicates the placement of the key information in different positions of a prompt can significantly affect accuracy. This paper first explores the micro-level manifestations of position bias, concluding that attention weights are a micro-level expression of position bias. It further identifies that, in addition to position embeddings, causal attention mask also contributes to position bias by creating position-specific hidden states. Based on these insights, we propose a method to mitigate position bias by scaling this positional hidden states. Experiments on the NaturalQuestions Multi-document QA, KV retrieval, LongBench and timeline reorder tasks, using various models including RoPE models, context windowextended models, and Alibi models, demonstrate the effectiveness and generalizability of our approach. Our method can improve performance by up to 15.2% by modifying just one dimension of hidden states. Our code is available at https://aka.ms/PositionalHidden.