Daily Papers

Despite the remarkable progress in generative technology, the Janus-faced issues of intellectual property protection and malicious content supervision have arisen. Efforts have been paid to manage synthetic images by attributing them to a set of potential source models. However, the closed-set classification setting limits the application in real-world scenarios for handling contents generated by arbitrary models. In this study, we focus on a challenging task, namely Open-Set Model Attribution (OSMA), to simultaneously attribute images to known models and identify those from unknown ones. Compared to existing open-set recognition (OSR) tasks focusing on semantic novelty, OSMA is more challenging as the distinction between images from known and unknown models may only lie in visually imperceptible traces. To this end, we propose a Progressive Open Space Expansion (POSE) solution, which simulates open-set samples that maintain the same semantics as closed-set samples but embedded with different imperceptible traces. Guided by a diversity constraint, the open space is simulated progressively by a set of lightweight augmentation models. We consider three real-world scenarios and construct an OSMA benchmark dataset, including unknown models trained with different random seeds, architectures, and datasets from known ones. Extensive experiments on the dataset demonstrate POSE is superior to both existing model attribution methods and off-the-shelf OSR methods.

The emergence of advanced AI-based tools to generate realistic images poses significant challenges for forensic detection and source attribution, especially as new generative techniques appear rapidly. Traditional methods often fail to generalize to unseen generators due to reliance on features specific to known sources during training. To address this problem, we propose a novel approach that explicitly models forensic microstructures - subtle, pixel-level patterns unique to the image creation process. Using only real images in a self-supervised manner, we learn a set of diverse predictive filters to extract residuals that capture different aspects of these microstructures. By jointly modeling these residuals across multiple scales, we obtain a compact model whose parameters constitute a unique forensic self-description for each image. This self-description enables us to perform zero-shot detection of synthetic images, open-set source attribution of images, and clustering based on source without prior knowledge. Extensive experiments demonstrate that our method achieves superior accuracy and adaptability compared to competing techniques, advancing the state of the art in synthetic media forensics.

The steady improvement of Diffusion Models for visual synthesis has given rise to many new and interesting use cases of synthetic images but also has raised concerns about their potential abuse, which poses significant societal threats. To address this, fake images need to be detected and attributed to their source model, and given the frequent release of new generators, realistic applications need to consider an Open-Set scenario where some models are unseen at training time. Existing forensic techniques are either limited to Closed-Set settings or to GAN-generated images, relying on fragile frequency-based "fingerprint" features. By contrast, we propose a simple yet effective framework that incorporates features from large pre-trained foundation models to perform Open-Set origin attribution of synthetic images produced by various generative models, including Diffusion Models. We show that our method leads to remarkable attribution performance, even in the low-data regime, exceeding the performance of existing methods and generalizes better on images obtained from a diverse set of architectures. We make the code publicly available at: https://github.com/ciodar/UniversalAttribution.

Open Large Language Models (OLLMs) are increasingly leveraged in generative AI applications, posing new challenges for detecting their outputs. We propose OpenTuringBench, a new benchmark based on OLLMs, designed to train and evaluate machine-generated text detectors on the Turing Test and Authorship Attribution problems. OpenTuringBench focuses on a representative set of OLLMs, and features a number of challenging evaluation tasks, including human/machine-manipulated texts, out-of-domain texts, and texts from previously unseen models. We also provide OTBDetector, a contrastive learning framework to detect and attribute OLLM-based machine-generated texts. Results highlight the relevance and varying degrees of difficulty of the OpenTuringBench tasks, with our detector achieving remarkable capabilities across the various tasks and outperforming most existing detectors. Resources are available on the OpenTuringBench Hugging Face repository at https://huggingface.co/datasets/MLNTeam-Unical/OpenTuringBench

Synthetic image source attribution is an open challenge, with an increasing number of image generators being released yearly. The complexity and the sheer number of available generative techniques, as well as the scarcity of high-quality open source datasets of diverse nature for this task, make training and benchmarking synthetic image source attribution models very challenging. WILD is a new in-the-Wild Image Linkage Dataset designed to provide a powerful training and benchmarking tool for synthetic image attribution models. The dataset is built out of a closed set of 10 popular commercial generators, which constitutes the training base of attribution models, and an open set of 10 additional generators, simulating a real-world in-the-wild scenario. Each generator is represented by 1,000 images, for a total of 10,000 images in the closed set and 10,000 images in the open set. Half of the images are post-processed with a wide range of operators. WILD allows benchmarking attribution models in a wide range of tasks, including closed and open set identification and verification, and robust attribution with respect to post-processing and adversarial attacks. Models trained on WILD are expected to benefit from the challenging scenario represented by the dataset itself. Moreover, an assessment of seven baseline methodologies on closed and open set attribution is presented, including robustness tests with respect to post-processing.

The increasing complexity of AI systems has made understanding their behavior a critical challenge. Numerous methods have been developed to attribute model behavior to three key aspects: input features, training data, and internal model components. However, these attribution methods are studied and applied rather independently, resulting in a fragmented landscape of approaches and terminology. This position paper argues that feature, data, and component attribution methods share fundamental similarities, and bridging them can benefit interpretability research. We conduct a detailed analysis of successful methods across three domains and present a unified view to demonstrate that these seemingly distinct methods employ similar approaches, such as perturbations, gradients, and linear approximations, differing primarily in their perspectives rather than core techniques. Our unified perspective enhances understanding of existing attribution methods, identifies shared concepts and challenges, makes this field more accessible to newcomers, and highlights new directions not only for attribution and interpretability but also for broader AI research, including model editing, steering, and regulation.

Originally inspired by game-theory, path attribution framework stands out among the post-hoc model interpretation tools due to its axiomatic nature. However, recent developments show that this framework can still suffer from counter-intuitive results. Moreover, specifically for deep visual models, the existing path-based methods also fall short on conforming to the original intuitions that are the basis of the claimed axiomatic properties of this framework. We address these problems with a systematic investigation, and pinpoint the conditions in which the counter-intuitive results can be avoided for deep visual model interpretation with the path attribution strategy. We also devise a scheme to preclude the conditions in which visual model interpretation can invalidate the axiomatic properties of path attribution. These insights are combined into a method that enables reliable visual model interpretation. Our findings are establish empirically with multiple datasets, models and evaluation metrics. Extensive experiments show a consistent performance gain of our method over the baselines.

Interpretability is an important area of research for safe deployment of machine learning systems. One particular type of interpretability method attributes model decisions to input features. Despite active development, quantitative evaluation of feature attribution methods remains difficult due to the lack of ground truth: we do not know which input features are in fact important to a model. In this work, we propose a framework for Benchmarking Attribution Methods (BAM) with a priori knowledge of relative feature importance. BAM includes 1) a carefully crafted dataset and models trained with known relative feature importance and 2) three complementary metrics to quantitatively evaluate attribution methods by comparing feature attributions between pairs of models and pairs of inputs. Our evaluation on several widely-used attribution methods suggests that certain methods are more likely to produce false positive explanations---features that are incorrectly attributed as more important to model prediction. We open source our dataset, models, and metrics.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

In this study, we examine the efficacy of post-hoc local attribution methods in identifying features with predictive power from irrelevant ones in domains characterized by a low signal-to-noise ratio (SNR), a common scenario in real-world machine learning applications. We developed synthetic datasets encompassing symbolic functional, image, and audio data, incorporating a benchmark on the {\it (Model \(\times\) Attribution\(\times\) Noise Condition)} triplet. By rigorously testing various classic models trained from scratch, we gained valuable insights into the performance of these attribution methods in multiple conditions. Based on these findings, we introduce a novel extension to the notable recursive feature elimination (RFE) algorithm, enhancing its applicability for neural networks. Our experiments highlight its strengths in prediction and feature selection, alongside limitations in scalability. Further details and additional minor findings are included in the appendix, with extensive discussions. The codes and resources are available at https://github.com/geshijoker/ChaosMining/{URL}.

Open set label shift (OSLS) occurs when label distributions change from a source to a target distribution, and the target distribution has an additional out-of-distribution (OOD) class. In this work, we build estimators for both source and target open set label distributions using a source domain in-distribution (ID) classifier and an ID/OOD classifier. With reasonable assumptions on the ID/OOD classifier, the estimators are assembled into a sequence of three stages: 1) an estimate of the source label distribution of the OOD class, 2) an EM algorithm for Maximum Likelihood estimates (MLE) of the target label distribution, and 3) an estimate of the target label distribution of OOD class under relaxed assumptions on the OOD classifier. The sampling errors of estimates in 1) and 3) are quantified with a concentration inequality. The estimation result allows us to correct the ID classifier trained on the source distribution to the target distribution without retraining. Experiments on a variety of open set label shift settings demonstrate the effectiveness of our model. Our code is available at https://github.com/ChangkunYe/OpenSetLabelShift.

To develop a trustworthy AI system, which aim to identify the input regions that most influence the models decisions. The primary task of existing attribution methods lies in efficiently and accurately identifying the relationships among input-prediction interactions. Particularly when the input data is discrete, such as images, analyzing the relationship between inputs and outputs poses a significant challenge due to the combinatorial explosion. In this paper, we propose a novel and efficient black-box attribution mechanism, LiMA (Less input is More faithful for Attribution), which reformulates the attribution of important regions as an optimization problem for submodular subset selection. First, to accurately assess interactions, we design a submodular function that quantifies subset importance and effectively captures their impact on decision outcomes. Then, efficiently ranking input sub-regions by their importance for attribution, we improve optimization efficiency through a novel bidirectional greedy search algorithm. LiMA identifies both the most and least important samples while ensuring an optimal attribution boundary that minimizes errors. Extensive experiments on eight foundation models demonstrate that our method provides faithful interpretations with fewer regions and exhibits strong generalization, shows an average improvement of 36.3% in Insertion and 39.6% in Deletion. Our method also outperforms the naive greedy search in attribution efficiency, being 1.6 times faster. Furthermore, when explaining the reasons behind model prediction errors, the average highest confidence achieved by our method is, on average, 86.1% higher than that of state-of-the-art attribution algorithms. The code is available at https://github.com/RuoyuChen10/LIMA.

Attribution is a key concept in large language models (LLMs) as it enables control over information sources and enhances the factuality of LLMs. While existing approaches utilize open book question answering to improve attribution, factual datasets may reward language models to recall facts that they already know from their pretraining data, not attribution. In contrast, counterfactual open book QA datasets would further improve attribution because the answer could only be grounded in the given text. We propose Hallucination Augmented Recitations (HAR) for creating counterfactual datasets by utilizing hallucination in LLMs to improve attribution. For open book QA as a case study, we demonstrate that models finetuned with our counterfactual datasets improve text grounding, leading to better open book QA performance, with up to an 8.0% increase in F1 score. Our counterfactual dataset leads to significantly better performance than using humanannotated factual datasets, even with 4x smaller datasets and 4x smaller models. We observe that improvements are consistent across various model sizes and datasets, including multi-hop, biomedical, and adversarial QA datasets.

While large text-to-image models are able to synthesize "novel" images, these images are necessarily a reflection of the training data. The problem of data attribution in such models -- which of the images in the training set are most responsible for the appearance of a given generated image -- is a difficult yet important one. As an initial step toward this problem, we evaluate attribution through "customization" methods, which tune an existing large-scale model toward a given exemplar object or style. Our key insight is that this allows us to efficiently create synthetic images that are computationally influenced by the exemplar by construction. With our new dataset of such exemplar-influenced images, we are able to evaluate various data attribution algorithms and different possible feature spaces. Furthermore, by training on our dataset, we can tune standard models, such as DINO, CLIP, and ViT, toward the attribution problem. Even though the procedure is tuned towards small exemplar sets, we show generalization to larger sets. Finally, by taking into account the inherent uncertainty of the problem, we can assign soft attribution scores over a set of training images.

Recent research has demonstrated that feature attribution methods for deep networks can themselves be incorporated into training; these attribution priors optimize for a model whose attributions have certain desirable properties -- most frequently, that particular features are important or unimportant. These attribution priors are often based on attribution methods that are not guaranteed to satisfy desirable interpretability axioms, such as completeness and implementation invariance. Here, we introduce attribution priors to optimize for higher-level properties of explanations, such as smoothness and sparsity, enabled by a fast new attribution method formulation called expected gradients that satisfies many important interpretability axioms. This improves model performance on many real-world tasks where previous attribution priors fail. Our experiments show that the gains from combining higher-level attribution priors with expected gradients attributions are consistent across image, gene expression, and health care data sets. We believe this work motivates and provides the necessary tools to support the widespread adoption of axiomatic attribution priors in many areas of applied machine learning. The implementations and our results have been made freely available to academic communities.

Model attribution is a critical component of deep neural networks (DNNs) for its interpretability to complex models. Recent studies bring up attention to the security of attribution methods as they are vulnerable to attribution attacks that generate similar images with dramatically different attributions. Existing works have been investigating empirically improving the robustness of DNNs against those attacks; however, none of them explicitly quantifies the actual deviations of attributions. In this work, for the first time, a constrained optimization problem is formulated to derive an upper bound that measures the largest dissimilarity of attributions after the samples are perturbed by any noises within a certain region while the classification results remain the same. Based on the formulation, different practical approaches are introduced to bound the attributions above using Euclidean distance and cosine similarity under both ell_2 and ell_infty-norm perturbations constraints. The bounds developed by our theoretical study are validated on various datasets and two different types of attacks (PGD attack and IFIA attribution attack). Over 10 million attacks in the experiments indicate that the proposed upper bounds effectively quantify the robustness of models based on the worst-case attribution dissimilarities.

The ability to identify whether or not a test sample belongs to one of the semantic classes in a classifier's training set is critical to practical deployment of the model. This task is termed open-set recognition (OSR) and has received significant attention in recent years. In this paper, we first demonstrate that the ability of a classifier to make the 'none-of-above' decision is highly correlated with its accuracy on the closed-set classes. We find that this relationship holds across loss objectives and architectures, and further demonstrate the trend both on the standard OSR benchmarks as well as on a large-scale ImageNet evaluation. Second, we use this correlation to boost the performance of a maximum logit score OSR 'baseline' by improving its closed-set accuracy, and with this strong baseline achieve state-of-the-art on a number of OSR benchmarks. Similarly, we boost the performance of the existing state-of-the-art method by improving its closed-set accuracy, but the resulting discrepancy with the strong baseline is marginal. Our third contribution is to present the 'Semantic Shift Benchmark' (SSB), which better respects the task of detecting semantic novelty, in contrast to other forms of distribution shift also considered in related sub-fields, such as out-of-distribution detection. On this new evaluation, we again demonstrate that there is negligible difference between the strong baseline and the existing state-of-the-art. Project Page: https://www.robots.ox.ac.uk/~vgg/research/osr/

Text-to-image generative models are becoming increasingly popular and accessible to the general public. As these models see large-scale deployments, it is necessary to deeply investigate their safety and fairness to not disseminate and perpetuate any kind of biases. However, existing works focus on detecting closed sets of biases defined a priori, limiting the studies to well-known concepts. In this paper, we tackle the challenge of open-set bias detection in text-to-image generative models presenting OpenBias, a new pipeline that identifies and quantifies the severity of biases agnostically, without access to any precompiled set. OpenBias has three stages. In the first phase, we leverage a Large Language Model (LLM) to propose biases given a set of captions. Secondly, the target generative model produces images using the same set of captions. Lastly, a Vision Question Answering model recognizes the presence and extent of the previously proposed biases. We study the behavior of Stable Diffusion 1.5, 2, and XL emphasizing new biases, never investigated before. Via quantitative experiments, we demonstrate that OpenBias agrees with current closed-set bias detection methods and human judgement.

Data attribution seeks to trace model outputs back to training data. With the recent development of diffusion models, data attribution has become a desired module to properly assign valuations for high-quality or copyrighted training samples, ensuring that data contributors are fairly compensated or credited. Several theoretically motivated methods have been proposed to implement data attribution, in an effort to improve the trade-off between computational scalability and effectiveness. In this work, we conduct extensive experiments and ablation studies on attributing diffusion models, specifically focusing on DDPMs trained on CIFAR-10 and CelebA, as well as a Stable Diffusion model LoRA-finetuned on ArtBench. Intriguingly, we report counter-intuitive observations that theoretically unjustified design choices for attribution empirically outperform previous baselines by a large margin, in terms of both linear datamodeling score and counterfactual evaluation. Our work presents a significantly more efficient approach for attributing diffusion models, while the unexpected findings suggest that at least in non-convex settings, constructions guided by theoretical assumptions may lead to inferior attribution performance. The code is available at https://github.com/sail-sg/D-TRAK.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

Current deep learning methods are regarded as favorable if they empirically perform well on dedicated test sets. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving data is investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten. However, comparison of individual methods is nevertheless performed in isolation from the real world by monitoring accumulated benchmark test set performance. The closed world assumption remains predominant, i.e. models are evaluated on data that is guaranteed to originate from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown and corrupted instances. In this work we critically survey the literature and argue that notable lessons from open set recognition, identifying unknown examples outside of the observed set, and the adjacent field of active learning, querying data to maximize the expected performance gain, are frequently overlooked in the deep learning era. Hence, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Finally, the established synergies are supported empirically, showing joint improvement in alleviating catastrophic forgetting, querying data, selecting task orders, while exhibiting robust open world application.

The goal of predictive data attribution is to estimate how adding or removing a given set of training datapoints will affect model predictions. In convex settings, this goal is straightforward (i.e., via the infinitesimal jackknife). In large-scale (non-convex) settings, however, existing methods are far less successful -- current methods' estimates often only weakly correlate with ground truth. In this work, we present a new data attribution method (MAGIC) that combines classical methods and recent advances in metadifferentiation to (nearly) optimally estimate the effect of adding or removing training data on model predictions.

As the open-weight AI landscape continues to proliferate-with model development, significant investment, and user interest-it becomes increasingly important to predict which models will ultimately drive innovation and shape AI ecosystems. Building on parallels with citation dynamics in scientific literature, we propose a framework to quantify how an open-weight model's influence evolves. Specifically, we adapt the model introduced by Wang et al. for scientific citations, using three key parameters-immediacy, longevity, and relative fitness-to track the cumulative number of fine-tuned models of an open-weight model. Our findings reveal that this citation-style approach can effectively capture the diverse trajectories of open-weight model adoption, with most models fitting well and outliers indicating unique patterns or abrupt jumps in usage.

Rigorousness and clarity are both essential for interpretations of DNNs to engender human trust. Path methods are commonly employed to generate rigorous attributions that satisfy three axioms. However, the meaning of attributions remains ambiguous due to distinct path choices. To address the ambiguity, we introduce Concentration Principle, which centrally allocates high attributions to indispensable features, thereby endowing aesthetic and sparsity. We then present SAMP, a model-agnostic interpreter, which efficiently searches the near-optimal path from a pre-defined set of manipulation paths. Moreover, we propose the infinitesimal constraint (IC) and momentum strategy (MS) to improve the rigorousness and optimality. Visualizations show that SAMP can precisely reveal DNNs by pinpointing salient image pixels. We also perform quantitative experiments and observe that our method significantly outperforms the counterparts. Code: https://github.com/zbr17/SAMP.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

Handling novelty remains a key challenge in visual recognition systems. Existing open-set recognition (OSR) methods rely on the familiarity hypothesis, detecting novelty by the absence of familiar features. We propose a novel attenuation hypothesis: small weights learned during training attenuate features and serve a dual role-differentiating known classes while discarding information useful for distinguishing known from unknown classes. To leverage this overlooked information, we present COSTARR, a novel approach that combines both the requirement of familiar features and the lack of unfamiliar ones. We provide a probabilistic interpretation of the COSTARR score, linking it to the likelihood of correct classification and belonging in a known class. To determine the individual contributions of the pre- and post-attenuated features to COSTARR's performance, we conduct ablation studies that show both pre-attenuated deep features and the underutilized post-attenuated Hadamard product features are essential for improving OSR. Also, we evaluate COSTARR in a large-scale setting using ImageNet2012-1K as known data and NINCO, iNaturalist, OpenImage-O, and other datasets as unknowns, across multiple modern pre-trained architectures (ViTs, ConvNeXts, and ResNet). The experiments demonstrate that COSTARR generalizes effectively across various architectures and significantly outperforms prior state-of-the-art methods by incorporating previously discarded attenuation information, advancing open-set recognition capabilities.

Image attribution algorithms aim to identify important regions that are highly relevant to model decisions. Although existing attribution solutions can effectively assign importance to target elements, they still face the following challenges: 1) existing attribution methods generate inaccurate small regions thus misleading the direction of correct attribution, and 2) the model cannot produce good attribution results for samples with wrong predictions. To address the above challenges, this paper re-models the above image attribution problem as a submodular subset selection problem, aiming to enhance model interpretability using fewer regions. To address the lack of attention to local regions, we construct a novel submodular function to discover more accurate small interpretation regions. To enhance the attribution effect for all samples, we also impose four different constraints on the selection of sub-regions, i.e., confidence, effectiveness, consistency, and collaboration scores, to assess the importance of various subsets. Moreover, our theoretical analysis substantiates that the proposed function is in fact submodular. Extensive experiments show that the proposed method outperforms SOTA methods on two face datasets (Celeb-A and VGG-Face2) and one fine-grained dataset (CUB-200-2011). For correctly predicted samples, the proposed method improves the Deletion and Insertion scores with an average of 4.9% and 2.5% gain relative to HSIC-Attribution. For incorrectly predicted samples, our method achieves gains of 81.0% and 18.4% compared to the HSIC-Attribution algorithm in the average highest confidence and Insertion score respectively. The code is released at https://github.com/RuoyuChen10/SMDL-Attribution.

Deep learning in general domains has constantly been extended to domain-specific tasks requiring the recognition of fine-grained characteristics. However, real-world applications for fine-grained tasks suffer from two challenges: a high reliance on expert knowledge for annotation and necessity of a versatile model for various downstream tasks in a specific domain (e.g., prediction of categories, bounding boxes, or pixel-wise annotations). Fortunately, the recent self-supervised learning (SSL) is a promising approach to pretrain a model without annotations, serving as an effective initialization for any downstream tasks. Since SSL does not rely on the presence of annotation, in general, it utilizes the large-scale unlabeled dataset, referred to as an open-set. In this sense, we introduce a novel Open-Set Self-Supervised Learning problem under the assumption that a large-scale unlabeled open-set is available, as well as the fine-grained target dataset, during a pretraining phase. In our problem setup, it is crucial to consider the distribution mismatch between the open-set and target dataset. Hence, we propose SimCore algorithm to sample a coreset, the subset of an open-set that has a minimum distance to the target dataset in the latent space. We demonstrate that SimCore significantly improves representation learning performance through extensive experimental settings, including eleven fine-grained datasets and seven open-sets in various downstream tasks.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Amid a discussion about Green AI in which we see explainability neglected, we explore the possibility to efficiently approximate computationally expensive explainers. To this end, we propose feature attribution modelling with Empirical Explainers. Empirical Explainers learn from data to predict the attribution maps of expensive explainers. We train and test Empirical Explainers in the language domain and find that they model their expensive counterparts surprisingly well, at a fraction of the cost. They could thus mitigate the computational burden of neural explanations significantly, in applications that tolerate an approximation error.

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them impractical for large-scale applications. Representation-based approaches are far more scalable, but typically rely on heuristic embeddings that are not optimized for attribution, limiting their fidelity. To address these challenges, we propose AirRep, a scalable, representation-based approach that closes this gap by learning task-specific and model-aligned representations optimized explicitly for TDA. AirRep introduces two key innovations: a trainable encoder tuned for attribution quality, and an attention-based pooling mechanism that enables accurate estimation of group-wise influence. We train AirRep using a ranking objective over automatically constructed training subsets labeled by their empirical effect on target predictions. Experiments on instruction-tuned LLMs demonstrate that AirRep achieves performance on par with state-of-the-art gradient-based approaches while being nearly two orders of magnitude more efficient at inference time. Further analysis highlights its robustness and generalization across tasks and models. Our code is available at https://github.com/sunnweiwei/AirRep.

As deep vision models' popularity rapidly increases, there is a growing emphasis on explanations for model predictions. The inherently explainable attribution method aims to enhance the understanding of model behavior by identifying the important regions in images that significantly contribute to predictions. It is achieved by cooperatively training a selector (generating an attribution map to identify important features) and a predictor (making predictions using the identified features). Despite many advancements, existing methods suffer from the incompleteness problem, where discriminative features are masked out, and the interlocking problem, where the non-optimized selector initially selects noise, causing the predictor to fit on this noise and perpetuate the cycle. To address these problems, we introduce a new objective that discourages the presence of discriminative features in the masked-out regions thus enhancing the comprehensiveness of feature selection. A pre-trained detector is introduced to detect discriminative features in the masked-out region. If the selector selects noise instead of discriminative features, the detector can observe and break the interlocking situation by penalizing the selector. Extensive experiments show that our model makes accurate predictions with higher accuracy than the regular black-box model, and produces attribution maps with high feature coverage, localization ability, fidelity and robustness. Our code will be available at https://github.com/Zood123/COMET{https://github.com/Zood123/COMET}.

Panoptic Scene Graph Generation (PSG) aims to segment objects and recognize their relations, enabling the structured understanding of an image. Previous methods focus on predicting predefined object and relation categories, hence limiting their applications in the open world scenarios. With the rapid development of large multimodal models (LMMs), significant progress has been made in open-set object detection and segmentation, yet open-set relation prediction in PSG remains unexplored. In this paper, we focus on the task of open-set relation prediction integrated with a pretrained open-set panoptic segmentation model to achieve true open-set panoptic scene graph generation (OpenPSG). Our OpenPSG leverages LMMs to achieve open-set relation prediction in an autoregressive manner. We introduce a relation query transformer to efficiently extract visual features of object pairs and estimate the existence of relations between them. The latter can enhance the prediction efficiency by filtering irrelevant pairs. Finally, we design the generation and judgement instructions to perform open-set relation prediction in PSG autoregressively. To our knowledge, we are the first to propose the open-set PSG task. Extensive experiments demonstrate that our method achieves state-of-the-art performance in open-set relation prediction and panoptic scene graph generation. Code is available at https://github.com/franciszzj/OpenPSG.

The increasing complexity of foundational models underscores the necessity for explainability, particularly for fine-tuning, the most widely used training method for adapting models to downstream tasks. Instance attribution, one type of explanation, attributes the model prediction to each training example by an instance score. However, the robustness of instance scores, specifically towards dataset resampling, has been overlooked. To bridge this gap, we propose a notion of robustness on the sign of the instance score. We theoretically and empirically demonstrate that the popular leave-one-out-based methods lack robustness, while the Shapley value behaves significantly better, but at a higher computational cost. Accordingly, we introduce an efficient fine-tuning-free approximation of the Shapley value (FreeShap) for instance attribution based on the neural tangent kernel. We empirically demonstrate that FreeShap outperforms other methods for instance attribution and other data-centric applications such as data removal, data selection, and wrong label detection, and further generalize our scale to large language models (LLMs). Our code is available at https://github.com/JTWang2000/FreeShap.

Deep learning models have become increasingly useful in many different industries. On the domain of image classification, convolutional neural networks proved the ability to learn robust features for the closed set problem, as shown in many different datasets, such as MNIST FASHIONMNIST, CIFAR10, CIFAR100, and IMAGENET. These approaches use deep neural networks with dense layers with softmax activation functions in order to learn features that can separate classes in a latent space. However, this traditional approach is not useful for identifying classes unseen on the training set, known as the open set problem. A similar problem occurs in scenarios involving learning on small data. To tackle both problems, few-shot learning has been proposed. In particular, metric learning learns features that obey constraints of a metric distance in the latent space in order to perform classification. However, while this approach proves to be useful for the open set problem, current implementation requires pair-wise training, where both positive and negative examples of similar images are presented during the training phase, which limits the applicability of these approaches in large data or large class scenarios given the combinatorial nature of the possible inputs.In this paper, we present a constraint-based approach applied to the representations in the latent space under the normalized softmax loss, proposed by[18]. We experimentally validate the proposed approach for the classification of unseen classes on different datasets using both metric learning and the normalized softmax loss, on disjoint and joint scenarios. Our results show that not only our proposed strategy can be efficiently trained on larger set of classes, as it does not require pairwise learning, but also present better classification results than the metric learning strategies surpassing its accuracy by a significant margin.

Generative AI (GAI) offers unprecedented opportunities for research and innovation, but its commercialization has raised concerns about transparency, reproducibility, and safety. Many open GAI models lack the necessary components for full understanding and reproducibility, and some use restrictive licenses whilst claiming to be ``open-source''. To address these concerns, we propose the Model Openness Framework (MOF), a ranked classification system that rates machine learning models based on their completeness and openness, following principles of open science, open source, open data, and open access. The MOF requires specific components of the model development lifecycle to be included and released under appropriate open licenses. This framework aims to prevent misrepresentation of models claiming to be open, guide researchers and developers in providing all model components under permissive licenses, and help individuals and organizations identify models that can be safely adopted without restrictions. By promoting transparency and reproducibility, the MOF combats ``openwashing'' practices and establishes completeness and openness as primary criteria alongside the core tenets of responsible AI. Wide adoption of the MOF will foster a more open AI ecosystem, benefiting research, innovation, and adoption of state-of-the-art models.

We introduce Iterated Integrated Attributions (IIA) - a generic method for explaining the predictions of vision models. IIA employs iterative integration across the input image, the internal representations generated by the model, and their gradients, yielding precise and focused explanation maps. We demonstrate the effectiveness of IIA through comprehensive evaluations across various tasks, datasets, and network architectures. Our results showcase that IIA produces accurate explanation maps, outperforming other state-of-the-art explanation techniques.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

The Open Images Dataset contains approximately 9 million images and is a widely accepted dataset for computer vision research. As is common practice for large datasets, the annotations are not exhaustive, with bounding boxes and attribute labels for only a subset of the classes in each image. In this paper, we present a new set of annotations on a subset of the Open Images dataset called the MIAP (More Inclusive Annotations for People) subset, containing bounding boxes and attributes for all of the people visible in those images. The attributes and labeling methodology for the MIAP subset were designed to enable research into model fairness. In addition, we analyze the original annotation methodology for the person class and its subclasses, discussing the resulting patterns in order to inform future annotation efforts. By considering both the original and exhaustive annotation sets, researchers can also now study how systematic patterns in training annotations affect modeling.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

A variety of recent papers discuss the application of Shapley values, a concept for explaining coalitional games, for feature attribution in machine learning. However, the correct way to connect a machine learning model to a coalitional game has been a source of controversy. The two main approaches that have been proposed differ in the way that they condition on known features, using either (1) an interventional or (2) an observational conditional expectation. While previous work has argued that one of the two approaches is preferable in general, we argue that the choice is application dependent. Furthermore, we argue that the choice comes down to whether it is desirable to be true to the model or true to the data. We use linear models to investigate this choice. After deriving an efficient method for calculating observational conditional expectation Shapley values for linear models, we investigate how correlation in simulated data impacts the convergence of observational conditional expectation Shapley values. Finally, we present two real data examples that we consider to be representative of possible use cases for feature attribution -- (1) credit risk modeling and (2) biological discovery. We show how a different choice of value function performs better in each scenario, and how possible attributions are impacted by modeling choices.

How does the internal computation of a machine learning model transform inputs into predictions? In this paper, we introduce a task called component modeling that aims to address this question. The goal of component modeling is to decompose an ML model's prediction in terms of its components -- simple functions (e.g., convolution filters, attention heads) that are the "building blocks" of model computation. We focus on a special case of this task, component attribution, where the goal is to estimate the counterfactual impact of individual components on a given prediction. We then present COAR, a scalable algorithm for estimating component attributions; we demonstrate its effectiveness across models, datasets, and modalities. Finally, we show that component attributions estimated with COAR directly enable model editing across five tasks, namely: fixing model errors, ``forgetting'' specific classes, boosting subpopulation robustness, localizing backdoor attacks, and improving robustness to typographic attacks. We provide code for COAR at https://github.com/MadryLab/modelcomponents .

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

Explaining the decisions of an Artificial Intelligence (AI) model is increasingly critical in many real-world, high-stake applications. Hundreds of papers have either proposed new feature attribution methods, discussed or harnessed these tools in their work. However, despite humans being the target end-users, most attribution methods were only evaluated on proxy automatic-evaluation metrics (Zhang et al. 2018; Zhou et al. 2016; Petsiuk et al. 2018). In this paper, we conduct the first user study to measure attribution map effectiveness in assisting humans in ImageNet classification and Stanford Dogs fine-grained classification, and when an image is natural or adversarial (i.e., contains adversarial perturbations). Overall, feature attribution is surprisingly not more effective than showing humans nearest training-set examples. On a harder task of fine-grained dog categorization, presenting attribution maps to humans does not help, but instead hurts the performance of human-AI teams compared to AI alone. Importantly, we found automatic attribution-map evaluation measures to correlate poorly with the actual human-AI team performance. Our findings encourage the community to rigorously test their methods on the downstream human-in-the-loop applications and to rethink the existing evaluation metrics.

In real-world scenarios, typical visual recognition systems could fail under two major causes, i.e., the misclassification between known classes and the excusable misbehavior on unknown-class images. To tackle these deficiencies, flexible visual recognition should dynamically predict multiple classes when they are unconfident between choices and reject making predictions when the input is entirely out of the training distribution. Two challenges emerge along with this novel task. First, prediction uncertainty should be separately quantified as confusion depicting inter-class uncertainties and ignorance identifying out-of-distribution samples. Second, both confusion and ignorance should be comparable between samples to enable effective decision-making. In this paper, we propose to model these two sources of uncertainty explicitly with the theory of Subjective Logic. Regarding recognition as an evidence-collecting process, confusion is then defined as conflicting evidence, while ignorance is the absence of evidence. By predicting Dirichlet concentration parameters for singletons, comprehensive subjective opinions, including confusion and ignorance, could be achieved via further evidence combinations. Through a series of experiments on synthetic data analysis, visual recognition, and open-set detection, we demonstrate the effectiveness of our methods in quantifying two sources of uncertainties and dealing with flexible recognition.

Teaching large language models (LLMs) to generate text with citations to evidence sources can mitigate hallucinations and enhance verifiability in information-seeking systems. However, improving this capability requires high-quality attribution data, which is costly and labor-intensive. Inspired by recent advances in self-improvement that enhance LLMs without manual annotation, we present START, a Self-Taught AttRibuTion framework for iteratively improving the attribution capability of LLMs. First, to prevent models from stagnating due to initially insufficient supervision signals, START leverages the model to self-construct synthetic training data for warming up. To further self-improve the model's attribution ability, START iteratively utilizes fine-grained preference supervision signals constructed from its sampled responses to encourage robust, comprehensive, and attributable generation. Experiments on three open-domain question-answering datasets, covering long-form QA and multi-step reasoning, demonstrate significant performance gains of 25.13% on average without relying on human annotations and more advanced models. Further analysis reveals that START excels in aggregating information across multiple sources.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

We introduce Low-Shot Open-Set Domain Generalization (LSOSDG), a novel paradigm unifying low-shot learning with open-set domain generalization (ODG). While prompt-based methods using models like CLIP have advanced DG, they falter in low-data regimes (e.g., 1-shot) and lack precision in detecting open-set samples with fine-grained semantics related to training classes. To address these challenges, we propose OSLOPROMPT, an advanced prompt-learning framework for CLIP with two core innovations. First, to manage limited supervision across source domains and improve DG, we introduce a domain-agnostic prompt-learning mechanism that integrates adaptable domain-specific cues and visually guided semantic attributes through a novel cross-attention module, besides being supported by learnable domain- and class-generic visual prompts to enhance cross-modal adaptability. Second, to improve outlier rejection during inference, we classify unfamiliar samples as "unknown" and train specialized prompts with systematically synthesized pseudo-open samples that maintain fine-grained relationships to known classes, generated through a targeted query strategy with off-the-shelf foundation models. This strategy enhances feature learning, enabling our model to detect open samples with varied granularity more effectively. Extensive evaluations across five benchmarks demonstrate that OSLOPROMPT establishes a new state-of-the-art in LSOSDG, significantly outperforming existing methods.

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

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

While the evaluation of explanations is an important step towards trustworthy models, it needs to be done carefully, and the employed metrics need to be well-understood. Specifically model randomization testing is often overestimated and regarded as a sole criterion for selecting or discarding certain explanation methods. To address shortcomings of this test, we start by observing an experimental gap in the ranking of explanation methods between randomization-based sanity checks [1] and model output faithfulness measures (e.g. [25]). We identify limitations of model-randomization-based sanity checks for the purpose of evaluating explanations. Firstly, we show that uninformative attribution maps created with zero pixel-wise covariance easily achieve high scores in this type of checks. Secondly, we show that top-down model randomization preserves scales of forward pass activations with high probability. That is, channels with large activations have a high probility to contribute strongly to the output, even after randomization of the network on top of them. Hence, explanations after randomization can only be expected to differ to a certain extent. This explains the observed experimental gap. In summary, these results demonstrate the inadequacy of model-randomization-based sanity checks as a criterion to rank attribution methods.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

In the field of decision trees, most previous studies have difficulty ensuring the statistical optimality of a prediction of new data and suffer from overfitting because trees are usually used only to represent prediction functions to be constructed from given data. In contrast, some studies, including this paper, used the trees to represent stochastic data observation processes behind given data. Moreover, they derived the statistically optimal prediction, which is robust against overfitting, based on the Bayesian decision theory by assuming a prior distribution for the trees. However, these studies still have a problem in computing this Bayes optimal prediction because it involves an infeasible summation for all division patterns of a feature space, which is represented by the trees and some parameters. In particular, an open problem is a summation with respect to combinations of division axes, i.e., the assignment of features to inner nodes of the tree. We solve this by a Markov chain Monte Carlo method, whose step size is adaptively tuned according to a posterior distribution for the trees.

Activation Patching is a method of directly computing causal attributions of behavior to model components. However, applying it exhaustively requires a sweep with cost scaling linearly in the number of model components, which can be prohibitively expensive for SoTA Large Language Models (LLMs). We investigate Attribution Patching (AtP), a fast gradient-based approximation to Activation Patching and find two classes of failure modes of AtP which lead to significant false negatives. We propose a variant of AtP called AtP*, with two changes to address these failure modes while retaining scalability. We present the first systematic study of AtP and alternative methods for faster activation patching and show that AtP significantly outperforms all other investigated methods, with AtP* providing further significant improvement. Finally, we provide a method to bound the probability of remaining false negatives of AtP* estimates.

Machine unlearning -- efficiently removing the effect of a small "forget set" of training data on a pre-trained machine learning model -- has recently attracted significant research interest. Despite this interest, however, recent work shows that existing machine unlearning techniques do not hold up to thorough evaluation in non-convex settings. In this work, we introduce a new machine unlearning technique that exhibits strong empirical performance even in such challenging settings. Our starting point is the perspective that the goal of unlearning is to produce a model whose outputs are statistically indistinguishable from those of a model re-trained on all but the forget set. This perspective naturally suggests a reduction from the unlearning problem to that of data attribution, where the goal is to predict the effect of changing the training set on a model's outputs. Thus motivated, we propose the following meta-algorithm, which we call Datamodel Matching (DMM): given a trained model, we (a) use data attribution to predict the output of the model if it were re-trained on all but the forget set points; then (b) fine-tune the pre-trained model to match these predicted outputs. In a simple convex setting, we show how this approach provably outperforms a variety of iterative unlearning algorithms. Empirically, we use a combination of existing evaluations and a new metric based on the KL-divergence to show that even in non-convex settings, DMM achieves strong unlearning performance relative to existing algorithms. An added benefit of DMM is that it is a meta-algorithm, in the sense that future advances in data attribution translate directly into better unlearning algorithms, pointing to a clear direction for future progress in unlearning.

Modern generative search engines enhance the reliability of large language model (LLM) responses by providing cited evidence. However, evaluating the answer's attribution, i.e., whether every claim within the generated responses is fully supported by its cited evidence, remains an open problem. This verification, traditionally dependent on costly human evaluation, underscores the urgent need for automatic attribution evaluation methods. To bridge the gap in the absence of standardized benchmarks for these methods, we present AttributionBench, a comprehensive benchmark compiled from various existing attribution datasets. Our extensive experiments on AttributionBench reveal the challenges of automatic attribution evaluation, even for state-of-the-art LLMs. Specifically, our findings show that even a fine-tuned GPT-3.5 only achieves around 80% macro-F1 under a binary classification formulation. A detailed analysis of more than 300 error cases indicates that a majority of failures stem from the model's inability to process nuanced information, and the discrepancy between the information the model has access to and that human annotators do.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

Data imbalance and open-ended distribution are two intrinsic characteristics of the real visual world. Though encouraging progress has been made in tackling each challenge separately, few works dedicated to combining them towards real-world scenarios. While several previous works have focused on classifying close-set samples and detecting open-set samples during testing, it's still essential to be able to classify unknown subjects as human beings. In this paper, we formally define a more realistic task as distribution-agnostic generalized category discovery (DA-GCD): generating fine-grained predictions for both close- and open-set classes in a long-tailed open-world setting. To tackle the challenging problem, we propose a Self-Balanced Co-Advice contrastive framework (BaCon), which consists of a contrastive-learning branch and a pseudo-labeling branch, working collaboratively to provide interactive supervision to resolve the DA-GCD task. In particular, the contrastive-learning branch provides reliable distribution estimation to regularize the predictions of the pseudo-labeling branch, which in turn guides contrastive learning through self-balanced knowledge transfer and a proposed novel contrastive loss. We compare BaCon with state-of-the-art methods from two closely related fields: imbalanced semi-supervised learning and generalized category discovery. The effectiveness of BaCon is demonstrated with superior performance over all baselines and comprehensive analysis across various datasets. Our code is publicly available.

Conventional supervised learning typically assumes that the learning task can be solved by learning a single function since the data is sampled from a fixed distribution. However, this assumption is invalid in open-ended environments where no task-level data partitioning is available. In this paper, we present a novel supervised learning framework of learning from open-ended data, which is modeled as data implicitly sampled from multiple domains with the data in each domain obeying a domain-specific target function. Since different domains may possess distinct target functions, open-ended data inherently requires multiple functions to capture all its input-output relations, rendering training a single global model problematic. To address this issue, we devise an Open-ended Supervised Learning (OSL) framework, of which the key component is a subjective function that allocates the data among multiple candidate models to resolve the "conflict" between the data from different domains, exhibiting a natural hierarchy. We theoretically analyze the learnability and the generalization error of OSL, and empirically validate its efficacy in both open-ended regression and classification tasks.

Semi-supervised learning (SSL) aims to leverage massive unlabeled data when labels are expensive to obtain. Unfortunately, in many real-world applications, the collected unlabeled data will inevitably contain unseen-class outliers not belonging to any of the labeled classes. To deal with the challenging open-set SSL task, the mainstream methods tend to first detect outliers and then filter them out. However, we observe a surprising fact that such approach could result in more severe performance degradation when labels are extremely scarce, as the unreliable outlier detector may wrongly exclude a considerable portion of valuable inliers. To tackle with this issue, we introduce a novel open-set SSL framework, IOMatch, which can jointly utilize inliers and outliers, even when it is difficult to distinguish exactly between them. Specifically, we propose to employ a multi-binary classifier in combination with the standard closed-set classifier for producing unified open-set classification targets, which regard all outliers as a single new class. By adopting these targets as open-set pseudo-labels, we optimize an open-set classifier with all unlabeled samples including both inliers and outliers. Extensive experiments have shown that IOMatch significantly outperforms the baseline methods across different benchmark datasets and different settings despite its remarkable simplicity. Our code and models are available at https://github.com/nukezil/IOMatch.

Active learning (AL) in open set scenarios presents a novel challenge of identifying the most valuable examples in an unlabeled data pool that comprises data from both known and unknown classes. Traditional methods prioritize selecting informative examples with low confidence, with the risk of mistakenly selecting unknown-class examples with similarly low confidence. Recent methods favor the most probable known-class examples, with the risk of picking simple already mastered examples. In this paper, we attempt to query examples that are both likely from known classes and highly informative, and propose a Bidirectional Uncertainty-based Active Learning (BUAL) framework. Specifically, we achieve this by first pushing the unknown class examples toward regions with high-confidence predictions, i.e., the proposed Random Label Negative Learning method. Then, we propose a Bidirectional Uncertainty sampling strategy by jointly estimating uncertainty posed by both positive and negative learning to perform consistent and stable sampling. BUAL successfully extends existing uncertainty-based AL methods to complex open-set scenarios. Extensive experiments on multiple datasets with varying openness demonstrate that BUAL achieves state-of-the-art performance. The code is available at https://github.com/chenchenzong/BUAL.

The growing capabilities of multimodal large language models (MLLMs) have advanced tasks like chart understanding. However, these models often suffer from hallucinations, where generated text sequences conflict with the provided visual data. To address this, we introduce Post-Hoc Visual Attribution for Charts, which identifies fine-grained chart elements that validate a given chart-associated response. We propose ChartLens, a novel chart attribution algorithm that uses segmentation-based techniques to identify chart objects and employs set-of-marks prompting with MLLMs for fine-grained visual attribution. Additionally, we present ChartVA-Eval, a benchmark with synthetic and real-world charts from diverse domains like finance, policy, and economics, featuring fine-grained attribution annotations. Our evaluations show that ChartLens improves fine-grained attributions by 26-66%.

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

Foundation models are redefining how AI systems are built. Practitioners now follow a standard procedure to build their machine learning solutions: from a pre-trained foundation model, they fine-tune the weights on the target task of interest. So, the Internet is swarmed by a handful of foundation models fine-tuned on many diverse tasks: these individual fine-tunings exist in isolation without benefiting from each other. In our opinion, this is a missed opportunity, as these specialized models contain rich and diverse features. In this paper, we thus propose model ratatouille, a new strategy to recycle the multiple fine-tunings of the same foundation model on diverse auxiliary tasks. Specifically, we repurpose these auxiliary weights as initializations for multiple parallel fine-tunings on the target task; then, we average all fine-tuned weights to obtain the final model. This recycling strategy aims at maximizing the diversity in weights by leveraging the diversity in auxiliary tasks. Empirically, it improves the state of the art on the reference DomainBed benchmark for out-of-distribution generalization. Looking forward, this work contributes to the emerging paradigm of updatable machine learning where, akin to open-source software development, the community collaborates to reliably update machine learning models.

Machine learning has achieved remarkable success in many applications. However, existing studies are largely based on the closed-world assumption, which assumes that the environment is stationary, and the model is fixed once deployed. In many real-world applications, this fundamental and rather naive assumption may not hold because an open environment is complex, dynamic, and full of unknowns. In such cases, rejecting unknowns, discovering novelties, and then incrementally learning them, could enable models to be safe and evolve continually as biological systems do. This paper provides a holistic view of open-world machine learning by investigating unknown rejection, novel class discovery, and class-incremental learning in a unified paradigm. The challenges, principles, and limitations of current methodologies are discussed in detail. Finally, we discuss several potential directions for future research. This paper aims to provide a comprehensive introduction to the emerging open-world machine learning paradigm, to help researchers build more powerful AI systems in their respective fields, and to promote the development of artificial general intelligence.

Medical language models (MLMs) have become pivotal in advancing medical natural language processing. However, prior models that rely on pre-training or supervised fine-tuning often exhibit low data efficiency and limited practicality in real-world clinical applications. While OpenAIs O1 highlights test-time scaling in mathematics, attempts to replicate this approach in medicine typically distill responses from GPT-series models to open-source models, focusing primarily on multiple-choice tasks. This strategy, though straightforward, neglects critical concerns like data privacy and realistic deployment in clinical settings. In this work, we present a deployable, small-scale medical language model, \mone, designed for long-chain reasoning in clinical tasks using a self-evolution paradigm. Starting with a seed dataset of around 8,000 instances spanning five domains and 16 datasets, we prompt a base policy model to perform Monte Carlo Tree Search (MCTS) to construct verifiable reasoning chains. Each reasoning step is assigned an evolution rollout value, allowing verified trajectories to train the policy model and the reward model. During inference, the policy model generates multiple responses, and the reward model selects the one with the highest reward score. Experiments on eleven evaluation datasets demonstrate that \mone outperforms prior open-source models by 2 points, with the addition of the reward model further boosting performance (sim13 points), surpassing GPT-4o-mini. Code and data are available at https://github.com/pixas/MedSSS.

Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.

Deep neural networks are very successful on many vision tasks, but hard to interpret due to their black box nature. To overcome this, various post-hoc attribution methods have been proposed to identify image regions most influential to the models' decisions. Evaluating such methods is challenging since no ground truth attributions exist. We thus propose three novel evaluation schemes to more reliably measure the faithfulness of those methods, to make comparisons between them more fair, and to make visual inspection more systematic. To address faithfulness, we propose a novel evaluation setting (DiFull) in which we carefully control which parts of the input can influence the output in order to distinguish possible from impossible attributions. To address fairness, we note that different methods are applied at different layers, which skews any comparison, and so evaluate all methods on the same layers (ML-Att) and discuss how this impacts their performance on quantitative metrics. For more systematic visualizations, we propose a scheme (AggAtt) to qualitatively evaluate the methods on complete datasets. We use these evaluation schemes to study strengths and shortcomings of some widely used attribution methods over a wide range of models. Finally, we propose a post-processing smoothing step that significantly improves the performance of some attribution methods, and discuss its applicability.

We study whether language models can evaluate the validity of their own claims and predict which questions they will be able to answer correctly. We first show that larger models are well-calibrated on diverse multiple choice and true/false questions when they are provided in the right format. Thus we can approach self-evaluation on open-ended sampling tasks by asking models to first propose answers, and then to evaluate the probability "P(True)" that their answers are correct. We find encouraging performance, calibration, and scaling for P(True) on a diverse array of tasks. Performance at self-evaluation further improves when we allow models to consider many of their own samples before predicting the validity of one specific possibility. Next, we investigate whether models can be trained to predict "P(IK)", the probability that "I know" the answer to a question, without reference to any particular proposed answer. Models perform well at predicting P(IK) and partially generalize across tasks, though they struggle with calibration of P(IK) on new tasks. The predicted P(IK) probabilities also increase appropriately in the presence of relevant source materials in the context, and in the presence of hints towards the solution of mathematical word problems. We hope these observations lay the groundwork for training more honest models, and for investigating how honesty generalizes to cases where models are trained on objectives other than the imitation of human writing.

Deep neural networks are very successful on many vision tasks, but hard to interpret due to their black box nature. To overcome this, various post-hoc attribution methods have been proposed to identify image regions most influential to the models' decisions. Evaluating such methods is challenging since no ground truth attributions exist. We thus propose three novel evaluation schemes to more reliably measure the faithfulness of those methods, to make comparisons between them more fair, and to make visual inspection more systematic. To address faithfulness, we propose a novel evaluation setting (DiFull) in which we carefully control which parts of the input can influence the output in order to distinguish possible from impossible attributions. To address fairness, we note that different methods are applied at different layers, which skews any comparison, and so evaluate all methods on the same layers (ML-Att) and discuss how this impacts their performance on quantitative metrics. For more systematic visualizations, we propose a scheme (AggAtt) to qualitatively evaluate the methods on complete datasets. We use these evaluation schemes to study strengths and shortcomings of some widely used attribution methods. Finally, we propose a post-processing smoothing step that significantly improves the performance of some attribution methods, and discuss its applicability.

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

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

Interpretability research often aims to predict how a model will respond to targeted interventions on specific mechanisms. However, it rarely predicts how a model will respond to unseen input data. This paper explores the promises and challenges of interpretability as a tool for predicting out-of-distribution (OOD) model behavior. Specifically, we investigate the correspondence between attention patterns and OOD generalization in hundreds of Transformer models independently trained on a synthetic classification task. These models exhibit several distinct systematic generalization rules OOD, forming a diverse population for correlational analysis. In this setting, we find that simple observational tools from interpretability can predict OOD performance. In particular, when in-distribution attention exhibits hierarchical patterns, the model is likely to generalize hierarchically on OOD data -- even when the rule's implementation does not rely on these hierarchical patterns, according to ablation tests. Our findings offer a proof-of-concept to motivate further interpretability work on predicting unseen model behavior.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

Semi-Supervised Learning (SSL) leverages both labeled and unlabeled data to improve model performance. Traditional SSL methods assume that labeled and unlabeled data share the same label space. However, in real-world applications, especially when the labeled training set is small, there may be classes that are missing from the labeled set. Existing frameworks aim to either reject all unseen classes (open-set SSL) or to discover unseen classes by partitioning an unlabeled set during training (open-world SSL). In our work, we construct a classifier for points from both seen and unseen classes. Our approach is based on extending an existing SSL method, such as FlexMatch, by incorporating an additional entropy loss. This enhancement allows our method to improve the performance of any existing SSL method in the classification of both seen and unseen classes. We demonstrate large improvement gains over state-of-the-art SSL, open-set SSL, and open-world SSL methods, on two benchmark image classification data sets, CIFAR-100 and STL-10. The gains are most pronounced when the labeled data is severely limited (1-25 labeled examples per class).

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

Conventional semi-supervised learning (SSL) ideally assumes that labeled and unlabeled data share an identical class distribution, however in practice, this assumption is easily violated, as unlabeled data often includes unknown class data, i.e., outliers. The outliers are treated as noise, considerably degrading the performance of SSL models. To address this drawback, we propose a novel framework, Diversify and Conquer (DAC), to enhance SSL robustness in the context of open-set semi-supervised learning. In particular, we note that existing open-set SSL methods rely on prediction discrepancies between inliers and outliers from a single model trained on labeled data. This approach can be easily failed when the labeled data is insufficient, leading to performance degradation that is worse than naive SSL that do not account for outliers. In contrast, our approach exploits prediction disagreements among multiple models that are differently biased towards the unlabeled distribution. By leveraging the discrepancies arising from training on unlabeled data, our method enables robust outlier detection even when the labeled data is underspecified. Our key contribution is constructing a collection of differently biased models through a single training process. By encouraging divergent heads to be differently biased towards outliers while making consistent predictions for inliers, we exploit the disagreement among these heads as a measure to identify unknown concepts. Our code is available at https://github.com/heejokong/DivCon.

State-of-the-art performance in QA tasks is currently achieved by systems employing Large Language Models (LLMs), however these models tend to hallucinate information in their responses. One approach focuses on enhancing the generation process by incorporating attribution from the given input to the output. However, the challenge of identifying appropriate attributions and verifying their accuracy against a source is a complex task that requires significant improvements in assessing such systems. We introduce an attribution-oriented Chain-of-Thought reasoning method to enhance the accuracy of attributions. This approach focuses the reasoning process on generating an attribution-centric output. Evaluations on two context-enhanced question-answering datasets using GPT-4 demonstrate improved accuracy and correctness of attributions. In addition, the combination of our method with finetuning enhances the response and attribution accuracy of two smaller LLMs, showing their potential to outperform GPT-4 in some cases.

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

Generative models can now produce photorealistic synthetic data which is virtually indistinguishable from the real data used to train it. This is a significant evolution over previous models which could produce reasonable facsimiles of the training data, but ones which could be visually distinguished from the training data by human evaluation. Recent work on OOD detection has raised doubts that generative model likelihoods are optimal OOD detectors due to issues involving likelihood misestimation, entropy in the generative process, and typicality. We speculate that generative OOD detectors also failed because their models focused on the pixels rather than the semantic content of the data, leading to failures in near-OOD cases where the pixels may be similar but the information content is significantly different. We hypothesize that estimating typical sets using self-supervised learners leads to better OOD detectors. We introduce a novel approach that leverages representation learning, and informative summary statistics based on manifold estimation, to address all of the aforementioned issues. Our method outperforms other unsupervised approaches and achieves state-of-the art performance on well-established challenging benchmarks, and new synthetic data detection tasks.

This thesis explores open-sourced machine learning (ML) model explanation tools to understand whether these tools can allow a layman to visualize, understand, and suggest intuitive remedies to unfairness in ML-based decision-support systems. Machine learning models trained on datasets biased against minority groups are increasingly used to guide life-altering social decisions, prompting the urgent need to study their logic for unfairness. Due to this problem's impact on vast populations of the general public, it is critical for the layperson -- not just subject matter experts in social justice or machine learning experts -- to understand the nature of unfairness within these algorithms and the potential trade-offs. Existing research on fairness in machine learning focuses mostly on the mathematical definitions and tools to understand and remedy unfair models, with some directly citing user-interactive tools as necessary for future work. This thesis presents FairLay-ML, a proof-of-concept GUI integrating some of the most promising tools to provide intuitive explanations for unfair logic in ML models by integrating existing research tools (e.g. Local Interpretable Model-Agnostic Explanations) with existing ML-focused GUI (e.g. Python Streamlit). We test FairLay-ML using models of various accuracy and fairness generated by an unfairness detector tool, Parfait-ML, and validate our results using Themis. Our study finds that the technology stack used for FairLay-ML makes it easy to install and provides real-time black-box explanations of pre-trained models to users. Furthermore, the explanations provided translate to actionable remedies.

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

A wide variety of model explanation approaches have been proposed in recent years, all guided by very different rationales and heuristics. In this paper, we take a new route and cast interpretability as a statistical inference problem. We propose a general deep probabilistic model designed to produce interpretable predictions. The model parameters can be learned via maximum likelihood, and the method can be adapted to any predictor network architecture and any type of prediction problem. Our method is a case of amortized interpretability models, where a neural network is used as a selector to allow for fast interpretation at inference time. Several popular interpretability methods are shown to be particular cases of regularised maximum likelihood for our general model. We propose new datasets with ground truth selection which allow for the evaluation of the features importance map. Using these datasets, we show experimentally that using multiple imputation provides more reasonable interpretations.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Trained machine learning models are increasingly used to perform high-impact tasks in areas such as law enforcement, medicine, education, and employment. In order to clarify the intended use cases of machine learning models and minimize their usage in contexts for which they are not well suited, we recommend that released models be accompanied by documentation detailing their performance characteristics. In this paper, we propose a framework that we call model cards, to encourage such transparent model reporting. Model cards are short documents accompanying trained machine learning models that provide benchmarked evaluation in a variety of conditions, such as across different cultural, demographic, or phenotypic groups (e.g., race, geographic location, sex, Fitzpatrick skin type) and intersectional groups (e.g., age and race, or sex and Fitzpatrick skin type) that are relevant to the intended application domains. Model cards also disclose the context in which models are intended to be used, details of the performance evaluation procedures, and other relevant information. While we focus primarily on human-centered machine learning models in the application fields of computer vision and natural language processing, this framework can be used to document any trained machine learning model. To solidify the concept, we provide cards for two supervised models: One trained to detect smiling faces in images, and one trained to detect toxic comments in text. We propose model cards as a step towards the responsible democratization of machine learning and related AI technology, increasing transparency into how well AI technology works. We hope this work encourages those releasing trained machine learning models to accompany model releases with similar detailed evaluation numbers and other relevant documentation.

With the recent renaissance of deep convolution neural networks, encouraging breakthroughs have been achieved on the supervised recognition tasks, where each class has sufficient training data and fully annotated training data. However, to scale the recognition to a large number of classes with few or now training samples for each class remains an unsolved problem. One approach to scaling up the recognition is to develop models capable of recognizing unseen categories without any training instances, or zero-shot recognition/ learning. This article provides a comprehensive review of existing zero-shot recognition techniques covering various aspects ranging from representations of models, and from datasets and evaluation settings. We also overview related recognition tasks including one-shot and open set recognition which can be used as natural extensions of zero-shot recognition when limited number of class samples become available or when zero-shot recognition is implemented in a real-world setting. Importantly, we highlight the limitations of existing approaches and point out future research directions in this existing new research area.

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using ell_p norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.

The deployment of machine learning models in operational contexts represents a significant investment for any organisation. Consequently, the risk of these models being misappropriated by competitors needs to be addressed. In recent years, numerous proposals have been put forth to detect instances of model stealing. However, these proposals operate under implicit and disparate data and model access assumptions; as a consequence, it remains unclear how they can be effectively compared to one another. Our evaluation shows that a simple baseline that we introduce performs on par with existing state-of-the-art fingerprints, which, on the other hand, are much more complex. To uncover the reasons behind this intriguing result, this paper introduces a systematic approach to both the creation of model fingerprinting schemes and their evaluation benchmarks. By dividing model fingerprinting into three core components -- Query, Representation and Detection (QuRD) -- we are able to identify sim100 previously unexplored QuRD combinations and gain insights into their performance. Finally, we introduce a set of metrics to compare and guide the creation of more representative model stealing detection benchmarks. Our approach reveals the need for more challenging benchmarks and a sound comparison with baselines. To foster the creation of new fingerprinting schemes and benchmarks, we open-source our fingerprinting toolbox.

Due to the cost of developing and training deep learning models from scratch, machine learning engineers have begun to reuse pre-trained models (PTMs) and fine-tune them for downstream tasks. PTM registries known as "model hubs" support engineers in distributing and reusing deep learning models. PTM packages include pre-trained weights, documentation, model architectures, datasets, and metadata. Mining the information in PTM packages will enable the discovery of engineering phenomena and tools to support software engineers. However, accessing this information is difficult - there are many PTM registries, and both the registries and the individual packages may have rate limiting for accessing the data. We present an open-source dataset, PTMTorrent, to facilitate the evaluation and understanding of PTM packages. This paper describes the creation, structure, usage, and limitations of the dataset. The dataset includes a snapshot of 5 model hubs and a total of 15,913 PTM packages. These packages are represented in a uniform data schema for cross-hub mining. We describe prior uses of this data and suggest research opportunities for mining using our dataset. The PTMTorrent dataset (v1) is available at: https://app.globus.org/file-manager?origin_id=55e17a6e-9d8f-11ed-a2a2-8383522b48d9&origin_path=%2F~%2F. Our dataset generation tools are available on GitHub: https://doi.org/10.5281/zenodo.7570357.

In this paper, we present an open-set object detector, called Grounding DINO, by marrying Transformer-based detector DINO with grounded pre-training, which can detect arbitrary objects with human inputs such as category names or referring expressions. The key solution of open-set object detection is introducing language to a closed-set detector for open-set concept generalization. To effectively fuse language and vision modalities, we conceptually divide a closed-set detector into three phases and propose a tight fusion solution, which includes a feature enhancer, a language-guided query selection, and a cross-modality decoder for cross-modality fusion. While previous works mainly evaluate open-set object detection on novel categories, we propose to also perform evaluations on referring expression comprehension for objects specified with attributes. Grounding DINO performs remarkably well on all three settings, including benchmarks on COCO, LVIS, ODinW, and RefCOCO/+/g. Grounding DINO achieves a 52.5 AP on the COCO detection zero-shot transfer benchmark, i.e., without any training data from COCO. It sets a new record on the ODinW zero-shot benchmark with a mean 26.1 AP. Code will be available at https://github.com/IDEA-Research/GroundingDINO.

Machine learning (ML) recourse techniques are increasingly used in high-stakes domains, providing end users with actions to alter ML predictions, but they assume ML developers understand what input variables can be changed. However, a recourse plan's actionability is subjective and unlikely to match developers' expectations completely. We present GAM Coach, a novel open-source system that adapts integer linear programming to generate customizable counterfactual explanations for Generalized Additive Models (GAMs), and leverages interactive visualizations to enable end users to iteratively generate recourse plans meeting their needs. A quantitative user study with 41 participants shows our tool is usable and useful, and users prefer personalized recourse plans over generic plans. Through a log analysis, we explore how users discover satisfactory recourse plans, and provide empirical evidence that transparency can lead to more opportunities for everyday users to discover counterintuitive patterns in ML models. GAM Coach is available at: https://poloclub.github.io/gam-coach/.

Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where {\it and} on what scales the model focuses, thus enabling us to assess whether a decision is reliable.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

Supervised machine learning models boast remarkable predictive capabilities. But can you trust your model? Will it work in deployment? What else can it tell you about the world? We want models to be not only good, but interpretable. And yet the task of interpretation appears underspecified. Papers provide diverse and sometimes non-overlapping motivations for interpretability, and offer myriad notions of what attributes render models interpretable. Despite this ambiguity, many papers proclaim interpretability axiomatically, absent further explanation. In this paper, we seek to refine the discourse on interpretability. First, we examine the motivations underlying interest in interpretability, finding them to be diverse and occasionally discordant. Then, we address model properties and techniques thought to confer interpretability, identifying transparency to humans and post-hoc explanations as competing notions. Throughout, we discuss the feasibility and desirability of different notions, and question the oft-made assertions that linear models are interpretable and that deep neural networks are not.

We investigate the use of a stratified sampling approach for LIME Image, a popular model-agnostic explainable AI method for computer vision tasks, in order to reduce the artifacts generated by typical Monte Carlo sampling. Such artifacts are due to the undersampling of the dependent variable in the synthetic neighborhood around the image being explained, which may result in inadequate explanations due to the impossibility of fitting a linear regressor on the sampled data. We then highlight a connection with the Shapley theory, where similar arguments about undersampling and sample relevance were suggested in the past. We derive all the formulas and adjustment factors required for an unbiased stratified sampling estimator. Experiments show the efficacy of the proposed approach.

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics. Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. Open-source models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

With the emergence of foundation models, deep learning-based object detectors have shown practical usability in closed set scenarios. However, for real-world tasks, object detectors often operate in open environments, where crucial factors (e.g., data distribution, objective) that influence model learning are often changing. The dynamic and intricate nature of the open environment poses novel and formidable challenges to object detectors. Unfortunately, current research on object detectors in open environments lacks a comprehensive analysis of their distinctive characteristics, challenges, and corresponding solutions, which hinders their secure deployment in critical real-world scenarios. This paper aims to bridge this gap by conducting a comprehensive review and analysis of object detectors in open environments. We initially identified limitations of key structural components within the existing detection pipeline and propose the open environment object detector challenge framework that includes four quadrants (i.e., out-of-domain, out-of-category, robust learning, and incremental learning) based on the dimensions of the data / target changes. For each quadrant of challenges in the proposed framework, we present a detailed description and systematic analysis of the overarching goals and core difficulties, systematically review the corresponding solutions, and benchmark their performance over multiple widely adopted datasets. In addition, we engage in a discussion of open problems and potential avenues for future research. This paper aims to provide a fresh, comprehensive, and systematic understanding of the challenges and solutions associated with open-environment object detectors, thus catalyzing the development of more solid applications in real-world scenarios. A project related to this survey can be found at https://github.com/LiangSiyuan21/OEOD_Survey.

With increasingly more data and computation involved in their training, machine learning models constitute valuable intellectual property. This has spurred interest in model stealing, which is made more practical by advances in learning with partial, little, or no supervision. Existing defenses focus on inserting unique watermarks in a model's decision surface, but this is insufficient: the watermarks are not sampled from the training distribution and thus are not always preserved during model stealing. In this paper, we make the key observation that knowledge contained in the stolen model's training set is what is common to all stolen copies. The adversary's goal, irrespective of the attack employed, is always to extract this knowledge or its by-products. This gives the original model's owner a strong advantage over the adversary: model owners have access to the original training data. We thus introduce dataset inference, the process of identifying whether a suspected model copy has private knowledge from the original model's dataset, as a defense against model stealing. We develop an approach for dataset inference that combines statistical testing with the ability to estimate the distance of multiple data points to the decision boundary. Our experiments on CIFAR10, SVHN, CIFAR100 and ImageNet show that model owners can claim with confidence greater than 99% that their model (or dataset as a matter of fact) was stolen, despite only exposing 50 of the stolen model's training points. Dataset inference defends against state-of-the-art attacks even when the adversary is adaptive. Unlike prior work, it does not require retraining or overfitting the defended model.

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

Recent work has shown that models trained to the same objective, and which achieve similar measures of accuracy on consistent test data, may nonetheless behave very differently on individual predictions. This inconsistency is undesirable in high-stakes contexts, such as medical diagnosis and finance. We show that this inconsistent behavior extends beyond predictions to feature attributions, which may likewise have negative implications for the intelligibility of a model, and one's ability to find recourse for subjects. We then introduce selective ensembles to mitigate such inconsistencies by applying hypothesis testing to the predictions of a set of models trained using randomly-selected starting conditions; importantly, selective ensembles can abstain in cases where a consistent outcome cannot be achieved up to a specified confidence level. We prove that that prediction disagreement between selective ensembles is bounded, and empirically demonstrate that selective ensembles achieve consistent predictions and feature attributions while maintaining low abstention rates. On several benchmark datasets, selective ensembles reach zero inconsistently predicted points, with abstention rates as low 1.5%.

Saliency methods can aid understanding of deep neural networks. Recent years have witnessed many improvements to saliency methods, as well as new ways for evaluating them. In this paper, we 1) present a novel region-based attribution method, XRAI, that builds upon integrated gradients (Sundararajan et al. 2017), 2) introduce evaluation methods for empirically assessing the quality of image-based saliency maps (Performance Information Curves (PICs)), and 3) contribute an axiom-based sanity check for attribution methods. Through empirical experiments and example results, we show that XRAI produces better results than other saliency methods for common models and the ImageNet dataset.

Out-of-distribution (OOD) detection aims to identify test examples that do not belong to the training distribution and are thus unlikely to be predicted reliably. Despite a plethora of existing works, most of them focused only on the scenario where OOD examples come from semantic shift (e.g., unseen categories), ignoring other possible causes (e.g., covariate shift). In this paper, we present a novel, unifying framework to study OOD detection in a broader scope. Instead of detecting OOD examples from a particular cause, we propose to detect examples that a deployed machine learning model (e.g., an image classifier) is unable to predict correctly. That is, whether a test example should be detected and rejected or not is ``model-specific''. We show that this framework unifies the detection of OOD examples caused by semantic shift and covariate shift, and closely addresses the concern of applying a machine learning model to uncontrolled environments. We provide an extensive analysis that involves a variety of models (e.g., different architectures and training strategies), sources of OOD examples, and OOD detection approaches, and reveal several insights into improving and understanding OOD detection in uncontrolled environments.

We develop a rigorous mathematical analysis of zero-shot learning with attributes. In this setting, the goal is to label novel classes with no training data, only detectors for attributes and a description of how those attributes are correlated with the target classes, called the class-attribute matrix. We develop the first non-trivial lower bound on the worst-case error of the best map from attributes to classes for this setting, even with perfect attribute detectors. The lower bound characterizes the theoretical intrinsic difficulty of the zero-shot problem based on the available information -- the class-attribute matrix -- and the bound is practically computable from it. Our lower bound is tight, as we show that we can always find a randomized map from attributes to classes whose expected error is upper bounded by the value of the lower bound. We show that our analysis can be predictive of how standard zero-shot methods behave in practice, including which classes will likely be confused with others.

Domain generalization (DG) is proposed to deal with the issue of domain shift, which occurs when statistical differences exist between source and target domains. However, most current methods do not account for a common realistic scenario where the source and target domains have different classes. To overcome this deficiency, open set domain generalization (OSDG) then emerges as a more practical setting to recognize unseen classes in unseen domains. An intuitive approach is to use multiple one-vs-all classifiers to define decision boundaries for each class and reject the outliers as unknown. However, the significant class imbalance between positive and negative samples often causes the boundaries biased towards positive ones, resulting in misclassification for known samples in the unseen target domain. In this paper, we propose a novel meta-learning-based framework called dualistic MEta-learning with joint DomaIn-Class matching (MEDIC), which considers gradient matching towards inter-domain and inter-class splits simultaneously to find a generalizable boundary balanced for all tasks. Experimental results demonstrate that MEDIC not only outperforms previous methods in open set scenarios, but also maintains competitive close set generalization ability at the same time. Our code is available at https://github.com/zzwdx/MEDIC.

Large language models have been widely adopted in natural language processing, yet they face the challenge of generating unreliable content. Recent works aim to reduce misinformation and hallucinations by resorting to attribution as a means to provide evidence (i.e., citations). However, current attribution methods usually focus on the retrieval stage and automatic evaluation that neglect mirroring the citation mechanisms in human scholarly writing to bolster credibility. In this paper, we address these challenges by modelling the attribution task as preference learning and introducing an Automatic Preference Optimization (APO) framework. First, we create a curated collection for post-training with 6,330 examples by collecting and filtering from existing datasets. Second, considering the high cost of labelling preference data, we further propose an automatic method to synthesize attribution preference data resulting in 95,263 pairs. Moreover, inspired by the human citation process, we further propose a progressive preference optimization method by leveraging fine-grained information. Extensive experiments on three datasets (i.e., ASQA, StrategyQA, and ELI5) demonstrate that APO achieves state-of-the-art citation F1 with higher answer quality.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

The acceleration in the adoption of AI-based automated decision-making systems poses a challenge for evaluating the fairness of algorithmic decisions, especially in the absence of ground truth. When designing interventions, uplift modeling is used extensively to identify candidates that are likely to benefit from treatment. However, these models remain particularly susceptible to fairness evaluation due to the lack of ground truth on the outcome measure since a candidate cannot be in both treatment and control simultaneously. In this article, we propose a framework that overcomes the missing ground truth problem by generating surrogates to serve as a proxy for counterfactual labels of uplift modeling campaigns. We then leverage the surrogate ground truth to conduct a more comprehensive binary fairness evaluation. We show how to apply the approach in a comprehensive study from a real-world marketing campaign for promotional offers and demonstrate its enhancement for fairness evaluation.

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

Test-time adaptation (TTA) methods, which generally rely on the model's predictions (e.g., entropy minimization) to adapt the source pretrained model to the unlabeled target domain, suffer from noisy signals originating from 1) incorrect or 2) open-set predictions. Long-term stable adaptation is hampered by such noisy signals, so training models without such error accumulation is crucial for practical TTA. To address these issues, including open-set TTA, we propose a simple yet effective sample selection method inspired by the following crucial empirical finding. While entropy minimization compels the model to increase the probability of its predicted label (i.e., confidence values), we found that noisy samples rather show decreased confidence values. To be more specific, entropy minimization attempts to raise the confidence values of an individual sample's prediction, but individual confidence values may rise or fall due to the influence of signals from numerous other predictions (i.e., wisdom of crowds). Due to this fact, noisy signals misaligned with such 'wisdom of crowds', generally found in the correct signals, fail to raise the individual confidence values of wrong samples, despite attempts to increase them. Based on such findings, we filter out the samples whose confidence values are lower in the adapted model than in the original model, as they are likely to be noisy. Our method is widely applicable to existing TTA methods and improves their long-term adaptation performance in both image classification (e.g., 49.4% reduced error rates with TENT) and semantic segmentation (e.g., 11.7% gain in mIoU with TENT).

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

Labeling neural network submodules with human-legible descriptions is useful for many downstream tasks: such descriptions can surface failures, guide interventions, and perhaps even explain important model behaviors. To date, most mechanistic descriptions of trained networks have involved small models, narrowly delimited phenomena, and large amounts of human labor. Labeling all human-interpretable sub-computations in models of increasing size and complexity will almost certainly require tools that can generate and validate descriptions automatically. Recently, techniques that use learned models in-the-loop for labeling have begun to gain traction, but methods for evaluating their efficacy are limited and ad-hoc. How should we validate and compare open-ended labeling tools? This paper introduces FIND (Function INterpretation and Description), a benchmark suite for evaluating the building blocks of automated interpretability methods. FIND contains functions that resemble components of trained neural networks, and accompanying descriptions of the kind we seek to generate. The functions are procedurally constructed across textual and numeric domains, and involve a range of real-world complexities, including noise, composition, approximation, and bias. We evaluate new and existing methods that use language models (LMs) to produce code-based and language descriptions of function behavior. We find that an off-the-shelf LM augmented with only black-box access to functions can sometimes infer their structure, acting as a scientist by forming hypotheses, proposing experiments, and updating descriptions in light of new data. However, LM-based descriptions tend to capture global function behavior and miss local corruptions. These results show that FIND will be useful for characterizing the performance of more sophisticated interpretability methods before they are applied to real-world models.

A fundamental question in modern machine learning is why large, over-parameterized models, such as deep neural networks and transformers, tend to generalize well, even when their number of parameters far exceeds the number of training samples. We investigate this phenomenon through the lens of information theory, grounded in universal learning theory. Specifically, we study a Bayesian mixture learner with log-loss and (almost) uniform prior over an expansive hypothesis class. Our key result shows that the learner's regret is not determined by the overall size of the hypothesis class, but rather by the cumulative probability of all models that are close, in Kullback-Leibler divergence distance, to the true data-generating process. We refer to this cumulative probability as the weight of the hypothesis. This leads to a natural notion of model simplicity: simple models are those with large weight and thus require fewer samples to generalize, while complex models have small weight and need more data. This perspective provides a rigorous and intuitive explanation for why over-parameterized models often avoid overfitting: the presence of simple hypotheses allows the posterior to concentrate on them when supported by the data. We further bridge theory and practice by recalling that stochastic gradient descent with Langevin dynamics samples from the correct posterior distribution, enabling our theoretical learner to be approximated using standard machine learning methods combined with ensemble learning. Our analysis yields non-uniform regret bounds and aligns with key practical concepts such as flat minima and model distillation. The results apply broadly across online, batch, and supervised learning settings, offering a unified and principled understanding of the generalization behavior of modern AI systems.

While research on applications and evaluations of explanation methods continues to expand, fairness of the explanation methods concerning disparities in their performance across subgroups remains an often overlooked aspect. In this paper, we address this gap by showing that, across three tasks and five language models, widely used post-hoc feature attribution methods exhibit significant gender disparity with respect to their faithfulness, robustness, and complexity. These disparities persist even when the models are pre-trained or fine-tuned on particularly unbiased datasets, indicating that the disparities we observe are not merely consequences of biased training data. Our results highlight the importance of addressing disparities in explanations when developing and applying explainability methods, as these can lead to biased outcomes against certain subgroups, with particularly critical implications in high-stakes contexts. Furthermore, our findings underscore the importance of incorporating the fairness of explanations, alongside overall model fairness and explainability, as a requirement in regulatory frameworks.

Localizing and recognizing objects in the open-ended physical world poses a long-standing challenge within the domain of machine perception. Recent methods have endeavored to address the issue by employing a class-agnostic mask (or box) proposal model, complemented by an open-vocabulary classifier (e.g., CLIP) using pre-extracted text embeddings. However, it is worth noting that these open-vocabulary recognition models still exhibit limitations in practical applications. On one hand, they rely on the provision of class names during testing, where the recognition performance heavily depends on this predefined set of semantic classes by users. On the other hand, when training with multiple datasets, human intervention is required to alleviate the label definition conflict between them. In this paper, we introduce the OmniScient Model (OSM), a novel Large Language Model (LLM) based mask classifier, as a straightforward and effective solution to the aforementioned challenges. Specifically, OSM predicts class labels in a generative manner, thus removing the supply of class names during both training and testing. It also enables cross-dataset training without any human interference, exhibiting robust generalization capabilities due to the world knowledge acquired from the LLM. By combining OSM with an off-the-shelf mask proposal model, we present promising results on various benchmarks, and demonstrate its effectiveness in handling novel concepts. Code/model are available at https://github.com/bytedance/OmniScient-Model.

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Existing vision-language models exhibit strong generalization on a variety of visual domains and tasks. However, such models mainly perform zero-shot recognition in a closed-set manner, and thus struggle to handle open-domain visual concepts by design. There are recent finetuning methods, such as prompt learning, that not only study the discrimination between in-distribution (ID) and out-of-distribution (OOD) samples, but also show some improvements in both ID and OOD accuracies. In this paper, we first demonstrate that vision-language models, after long enough finetuning but without proper regularization, tend to overfit the known classes in the given dataset, with degraded performance on unknown classes. Then we propose a novel approach OGEN to address this pitfall, with the main focus on improving the OOD GENeralization of finetuned models. Specifically, a class-conditional feature generator is introduced to synthesize OOD features using just the class name of any unknown class. Such synthesized features will provide useful knowledge about unknowns and help regularize the decision boundary between ID and OOD data when optimized jointly. Equally important is our adaptive self-distillation mechanism to regularize our feature generation model during joint optimization, i.e., adaptively transferring knowledge between model states to further prevent overfitting. Experiments validate that our method yields convincing gains in OOD generalization performance in different settings.

Despite widespread adoption, machine learning models remain mostly black boxes. Understanding the reasons behind predictions is, however, quite important in assessing trust, which is fundamental if one plans to take action based on a prediction, or when choosing whether to deploy a new model. Such understanding also provides insights into the model, which can be used to transform an untrustworthy model or prediction into a trustworthy one. In this work, we propose LIME, a novel explanation technique that explains the predictions of any classifier in an interpretable and faithful manner, by learning an interpretable model locally around the prediction. We also propose a method to explain models by presenting representative individual predictions and their explanations in a non-redundant way, framing the task as a submodular optimization problem. We demonstrate the flexibility of these methods by explaining different models for text (e.g. random forests) and image classification (e.g. neural networks). We show the utility of explanations via novel experiments, both simulated and with human subjects, on various scenarios that require trust: deciding if one should trust a prediction, choosing between models, improving an untrustworthy classifier, and identifying why a classifier should not be trusted.

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

This paper formalizes an emerging learning paradigm that uses a trained model as a reference to guide and enhance the training of a target model through strategic data selection or weighting, named model steering. While ad-hoc methods have been used in various contexts, including the training of large foundation models, its underlying principles remain insufficiently understood, leading to sub-optimal performance. In this work, we propose a theory-driven framework for model steering called DRRho risk minimization, which is rooted in Distributionally Robust Optimization (DRO). Through a generalization analysis, we provide theoretical insights into why this approach improves generalization and data efficiency compared to training without a reference model. To the best of our knowledge, this is the first time such theoretical insights are provided for the new learning paradigm, which significantly enhance our understanding and practice of model steering. Building on these insights and the connection between contrastive learning and DRO, we introduce a novel method for Contrastive Language-Image Pretraining (CLIP) with a reference model, termed DRRho-CLIP. Extensive experiments validate the theoretical insights, reveal a superior scaling law compared to CLIP without a reference model, and demonstrate its strength over existing heuristic approaches.

We investigate the problem of determining the predictive confidence (or, conversely, uncertainty) of a neural classifier through the lens of low-resource languages. By training models on sub-sampled datasets in three different languages, we assess the quality of estimates from a wide array of approaches and their dependence on the amount of available data. We find that while approaches based on pre-trained models and ensembles achieve the best results overall, the quality of uncertainty estimates can surprisingly suffer with more data. We also perform a qualitative analysis of uncertainties on sequences, discovering that a model's total uncertainty seems to be influenced to a large degree by its data uncertainty, not model uncertainty. All model implementations are open-sourced in a software package.

We explore the question: "How much prior art knowledge is needed to create art?" To investigate this, we propose a text-to-image generation model trained without access to art-related content. We then introduce a simple yet effective method to learn an art adapter using only a few examples of selected artistic styles. Our experiments show that art generated using our method is perceived by users as comparable to art produced by models trained on large, art-rich datasets. Finally, through data attribution techniques, we illustrate how examples from both artistic and non-artistic datasets contributed to the creation of new artistic styles.

Evaluation has traditionally focused on ranking candidates for a specific skill. Modern generalist models, such as Large Language Models (LLMs), decidedly outpace this paradigm. Open-ended evaluation systems, where candidate models are compared on user-submitted prompts, have emerged as a popular solution. Despite their many advantages, we show that the current Elo-based rating systems can be susceptible to and even reinforce biases in data, intentional or accidental, due to their sensitivity to redundancies. To address this issue, we propose evaluation as a 3-player game, and introduce novel game-theoretic solution concepts to ensure robustness to redundancy. We show that our method leads to intuitive ratings and provide insights into the competitive landscape of LLM development.

In the midst of widespread misinformation and disinformation through social media and the proliferation of AI-generated texts, it has become increasingly difficult for people to validate and trust information they encounter. Many fact-checking approaches and tools have been developed, but they often lack appropriate explainability or granularity to be useful in various contexts. A text validation method that is easy to use, accessible, and can perform fine-grained evidence attribution has become crucial. More importantly, building user trust in such a method requires presenting the rationale behind each prediction, as research shows this significantly influences people's belief in automated systems. It is also paramount to localize and bring users' attention to the specific problematic content, instead of providing simple blanket labels. In this paper, we present ClaimVer, a human-centric framework tailored to meet users' informational and verification needs by generating rich annotations and thereby reducing cognitive load. Designed to deliver comprehensive evaluations of texts, it highlights each claim, verifies it against a trusted knowledge graph (KG), presents the evidence, and provides succinct, clear explanations for each claim prediction. Finally, our framework introduces an attribution score, enhancing applicability across a wide range of downstream tasks.

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

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance 2-4times more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

Open-weight AI systems offer unique benefits, including enhanced transparency, open research, and decentralized access. However, they are vulnerable to tampering attacks which can efficiently elicit harmful behaviors by modifying weights or activations. Currently, there is not yet a robust science of open-weight model risk management. Existing safety fine-tuning methods and other post-training techniques have struggled to make LLMs resistant to more than a few dozen steps of adversarial fine-tuning. In this paper, we investigate whether filtering text about dual-use topics from training data can prevent unwanted capabilities and serve as a more tamper-resistant safeguard. We introduce a multi-stage pipeline for scalable data filtering and show that it offers a tractable and effective method for minimizing biothreat proxy knowledge in LLMs. We pretrain multiple 6.9B-parameter models from scratch and find that they exhibit substantial resistance to adversarial fine-tuning attacks on up to 10,000 steps and 300M tokens of biothreat-related text -- outperforming existing post-training baselines by over an order of magnitude -- with no observed degradation to unrelated capabilities. However, while filtered models lack internalized dangerous knowledge, we find that they can still leverage such information when it is provided in context (e.g., via search tool augmentation), demonstrating a need for a defense-in-depth approach. Overall, these findings help to establish pretraining data curation as a promising layer of defense for open-weight AI systems.

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.

Machine learning models are often used to decide who will receive a loan, a job interview, or a public benefit. Standard techniques to build these models use features about people but overlook their actionability. In turn, models can assign predictions that are fixed, meaning that consumers who are denied loans, interviews, or benefits may be permanently locked out from access to credit, employment, or assistance. In this work, we introduce a formal testing procedure to flag models that assign fixed predictions that we call recourse verification. We develop machinery to reliably determine if a given model can provide recourse to its decision subjects from a set of user-specified actionability constraints. We demonstrate how our tools can ensure recourse and adversarial robustness in real-world datasets and use them to study the infeasibility of recourse in real-world lending datasets. Our results highlight how models can inadvertently assign fixed predictions that permanently bar access, and we provide tools to design algorithms that account for actionability when developing models.

This paper considers the learning of logical (Boolean) functions with focus on the generalization on the unseen (GOTU) setting, a strong case of out-of-distribution generalization. This is motivated by the fact that the rich combinatorial nature of data in certain reasoning tasks (e.g., arithmetic/logic) makes representative data sampling challenging, and learning successfully under GOTU gives a first vignette of an 'extrapolating' or 'reasoning' learner. We then study how different network architectures trained by (S)GD perform under GOTU and provide both theoretical and experimental evidence that for a class of network models including instances of Transformers, random features models, and diagonal linear networks, a min-degree-interpolator (MDI) is learned on the unseen. We also provide evidence that other instances with larger learning rates or mean-field networks reach leaky MDIs. These findings lead to two implications: (1) we provide an explanation to the length generalization problem (e.g., Anil et al. 2022); (2) we introduce a curriculum learning algorithm called Degree-Curriculum that learns monomials more efficiently by incrementing supports.

We introduce a new framework for sample-efficient model evaluation that we call active testing. While approaches like active learning reduce the number of labels needed for model training, existing literature largely ignores the cost of labeling test data, typically unrealistically assuming large test sets for model evaluation. This creates a disconnect to real applications, where test labels are important and just as expensive, e.g. for optimizing hyperparameters. Active testing addresses this by carefully selecting the test points to label, ensuring model evaluation is sample-efficient. To this end, we derive theoretically-grounded and intuitive acquisition strategies that are specifically tailored to the goals of active testing, noting these are distinct to those of active learning. As actively selecting labels introduces a bias; we further show how to remove this bias while reducing the variance of the estimator at the same time. Active testing is easy to implement and can be applied to any supervised machine learning method. We demonstrate its effectiveness on models including WideResNets and Gaussian processes on datasets including Fashion-MNIST and CIFAR-100.

Large datasets have become commonplace in NLP research. However, the increased emphasis on data quantity has made it challenging to assess the quality of data. We introduce Data Maps---a model-based tool to characterize and diagnose datasets. We leverage a largely ignored source of information: the behavior of the model on individual instances during training (training dynamics) for building data maps. This yields two intuitive measures for each example---the model's confidence in the true class, and the variability of this confidence across epochs---obtained in a single run of training. Experiments across four datasets show that these model-dependent measures reveal three distinct regions in the data map, each with pronounced characteristics. First, our data maps show the presence of "ambiguous" regions with respect to the model, which contribute the most towards out-of-distribution generalization. Second, the most populous regions in the data are "easy to learn" for the model, and play an important role in model optimization. Finally, data maps uncover a region with instances that the model finds "hard to learn"; these often correspond to labeling errors. Our results indicate that a shift in focus from quantity to quality of data could lead to robust models and improved out-of-distribution generalization.

Machine learning models in modern mass-market applications are often updated over time. One of the foremost challenges faced is that, despite increasing overall performance, these updates may flip specific model predictions in unpredictable ways. In practice, researchers quantify the number of unstable predictions between models pre and post update -- i.e., predictive churn. In this paper, we study this effect through the lens of predictive multiplicity -- i.e., the prevalence of conflicting predictions over the set of near-optimal models (the Rashomon set). We show how traditional measures of predictive multiplicity can be used to examine expected churn over this set of prospective models -- i.e., the set of models that may be used to replace a baseline model in deployment. We present theoretical results on the expected churn between models within the Rashomon set from different perspectives. And we characterize expected churn over model updates via the Rashomon set, pairing our analysis with empirical results on real-world datasets -- showing how our approach can be used to better anticipate, reduce, and avoid churn in consumer-facing applications. Further, we show that our approach is useful even for models enhanced with uncertainty awareness.

We develop a method for generating causal post-hoc explanations of black-box classifiers based on a learned low-dimensional representation of the data. The explanation is causal in the sense that changing learned latent factors produces a change in the classifier output statistics. To construct these explanations, we design a learning framework that leverages a generative model and information-theoretic measures of causal influence. Our objective function encourages both the generative model to faithfully represent the data distribution and the latent factors to have a large causal influence on the classifier output. Our method learns both global and local explanations, is compatible with any classifier that admits class probabilities and a gradient, and does not require labeled attributes or knowledge of causal structure. Using carefully controlled test cases, we provide intuition that illuminates the function of our objective. We then demonstrate the practical utility of our method on image recognition tasks.

Tool-using agents that act in the world need to be both useful and safe. Well-calibrated model confidences can be used to weigh the risk versus reward of potential actions, but prior work shows that many models are poorly calibrated. Inspired by interpretability literature exploring the internals of models, we propose a novel class of model-internal confidence estimators (MICE) to better assess confidence when calling tools. MICE first decodes from each intermediate layer of the language model using logitLens and then computes similarity scores between each layer's generation and the final output. These features are fed into a learned probabilistic classifier to assess confidence in the decoded output. On the simulated trial and error (STE) tool-calling dataset using Llama3 models, we find that MICE beats or matches the baselines on smoothed expected calibration error. Using MICE confidences to determine whether to call a tool significantly improves over strong baselines on a new metric, expected tool-calling utility. Further experiments show that MICE is sample-efficient, can generalize zero-shot to unseen APIs, and results in higher tool-calling utility in scenarios with varying risk levels. Our code is open source, available at https://github.com/microsoft/mice_for_cats.

Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: https://github.com/MarcLafon/heatood.

The cultivation of expertise for large language models (LLMs) to solve tasks of specific areas often requires special-purpose tuning with calibrated behaviors on the expected stable outputs. To avoid huge cost brought by manual preparation of instruction datasets and training resources up to hundreds of hours, the exploitation of open knowledge including a wealth of low rank adaptation (LoRA) models and instruction datasets serves as a good starting point. However, existing methods on model and data selection focus on the performance of general-purpose capabilities while neglecting the knowledge gap exposed in domain-specific deployment. In the present study, we propose to bridge such gap by introducing few human-annotated samples (i.e., K-shot) for advancing task expertise of LLMs with open knowledge. Specifically, we develop an efficient and scalable pipeline to cost-efficiently produce task experts where K-shot data intervene in selecting the most promising expert candidates and the task-relevant instructions. A mixture-of-expert (MoE) system is built to make the best use of individual-yet-complementary knowledge between multiple experts. We unveil the two keys to the success of a MoE system, 1) the abidance by K-shot, and 2) the insistence on diversity. For the former, we ensure that models that truly possess problem-solving abilities on K-shot are selected rather than those blind guessers. Besides, during data selection, instructions that share task-relevant contexts with K-shot are prioritized. For the latter, we highlight the diversity of constituting experts and that of the fine-tuning instructions throughout the model and data selection process. Extensive experimental results confirm the superiority of our approach over existing methods on utilization of open knowledge across various tasks. Codes and models will be released later.

Three key properties that are desired of trustworthy machine learning models deployed in high-stakes environments are fairness, explainability, and an ability to account for various kinds of "drift". While drifts in model accuracy, for example due to covariate shift, have been widely investigated, drifts in fairness metrics over time remain largely unexplored. In this paper, we propose FEAMOE, a novel "mixture-of-experts" inspired framework aimed at learning fairer, more explainable/interpretable models that can also rapidly adjust to drifts in both the accuracy and the fairness of a classifier. We illustrate our framework for three popular fairness measures and demonstrate how drift can be handled with respect to these fairness constraints. Experiments on multiple datasets show that our framework as applied to a mixture of linear experts is able to perform comparably to neural networks in terms of accuracy while producing fairer models. We then use the large-scale HMDA dataset and show that while various models trained on HMDA demonstrate drift with respect to both accuracy and fairness, FEAMOE can ably handle these drifts with respect to all the considered fairness measures and maintain model accuracy as well. We also prove that the proposed framework allows for producing fast Shapley value explanations, which makes computationally efficient feature attribution based explanations of model decisions readily available via FEAMOE.

Predictive multiplicity refers to the phenomenon in which classification tasks may admit multiple competing models that achieve almost-equally-optimal performance, yet generate conflicting outputs for individual samples. This presents significant concerns, as it can potentially result in systemic exclusion, inexplicable discrimination, and unfairness in practical applications. Measuring and mitigating predictive multiplicity, however, is computationally challenging due to the need to explore all such almost-equally-optimal models, known as the Rashomon set, in potentially huge hypothesis spaces. To address this challenge, we propose a novel framework that utilizes dropout techniques for exploring models in the Rashomon set. We provide rigorous theoretical derivations to connect the dropout parameters to properties of the Rashomon set, and empirically evaluate our framework through extensive experimentation. Numerical results show that our technique consistently outperforms baselines in terms of the effectiveness of predictive multiplicity metric estimation, with runtime speedup up to 20times sim 5000times. With efficient Rashomon set exploration and metric estimation, mitigation of predictive multiplicity is then achieved through dropout ensemble and model selection.

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

We address the neural network robustness problem by adding Similarity (i.e., correctly predicted depth-matches into training)-awareness and Distance-to-training-distribution-awareness to the existing output Magnitude (i.e., decision-boundary)-awareness of the softmax function. The resulting SDM activation function provides strong signals of the relative epistemic (reducible) predictive uncertainty. We use this novel behavior to further address the complementary HCI problem of mapping the output to human-interpretable summary statistics over relevant partitions of a held-out calibration set. Estimates of prediction-conditional uncertainty are obtained via a parsimonious learned transform over the class-conditional empirical CDFs of the output of a final-layer SDM activation function. For decision-making and as an intrinsic model check, estimates of class-conditional accuracy are obtained by further partitioning the high-probability regions of this calibrated output into class-conditional, region-specific CDFs. The uncertainty estimates from SDM calibration are remarkably robust to test-time distribution shifts and out-of-distribution inputs; incorporate awareness of the effective sample size; provide estimates of uncertainty from the learning and data splitting processes; and are well-suited for selective classification and conditional branching for additional test-time compute based on the predictive uncertainty, as for selective LLM generation, routing, and composition over multiple models and retrieval. Finally, we construct SDM networks, LLMs with uncertainty-aware verification and interpretability-by-exemplar as intrinsic properties. We provide open-source software implementing these results.

We present a unified framework for studying the identifiability of representations learned from simultaneously observed views, such as different data modalities. We allow a partially observed setting in which each view constitutes a nonlinear mixture of a subset of underlying latent variables, which can be causally related. We prove that the information shared across all subsets of any number of views can be learned up to a smooth bijection using contrastive learning and a single encoder per view. We also provide graphical criteria indicating which latent variables can be identified through a simple set of rules, which we refer to as identifiability algebra. Our general framework and theoretical results unify and extend several previous works on multi-view nonlinear ICA, disentanglement, and causal representation learning. We experimentally validate our claims on numerical, image, and multi-modal data sets. Further, we demonstrate that the performance of prior methods is recovered in different special cases of our setup. Overall, we find that access to multiple partial views enables us to identify a more fine-grained representation, under the generally milder assumption of partial observability.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

Machine learning models -- including prominent zero-shot models -- are often trained on datasets whose labels are only a small proportion of a larger label space. Such spaces are commonly equipped with a metric that relates the labels via distances between them. We propose a simple approach to exploit this information to adapt the trained model to reliably predict new classes -- or, in the case of zero-shot prediction, to improve its performance -- without any additional training. Our technique is a drop-in replacement of the standard prediction rule, swapping argmax with the Fr\'echet mean. We provide a comprehensive theoretical analysis for this approach, studying (i) learning-theoretic results trading off label space diameter, sample complexity, and model dimension, (ii) characterizations of the full range of scenarios in which it is possible to predict any unobserved class, and (iii) an optimal active learning-like next class selection procedure to obtain optimal training classes for when it is not possible to predict the entire range of unobserved classes. Empirically, using easily-available external metrics, our proposed approach, Loki, gains up to 29.7% relative improvement over SimCLR on ImageNet and scales to hundreds of thousands of classes. When no such metric is available, Loki can use self-derived metrics from class embeddings and obtains a 10.5% improvement on pretrained zero-shot models such as CLIP.

Post-hoc gradient-based interpretability methods [Simonyan et al., 2013, Smilkov et al., 2017] that provide instance-specific explanations of model predictions are often based on assumption (A): magnitude of input gradients -- gradients of logits with respect to input -- noisily highlight discriminative task-relevant features. In this work, we test the validity of assumption (A) using a three-pronged approach. First, we develop an evaluation framework, DiffROAR, to test assumption (A) on four image classification benchmarks. Our results suggest that (i) input gradients of standard models (i.e., trained on original data) may grossly violate (A), whereas (ii) input gradients of adversarially robust models satisfy (A). Second, we introduce BlockMNIST, an MNIST-based semi-real dataset, that by design encodes a priori knowledge of discriminative features. Our analysis on BlockMNIST leverages this information to validate as well as characterize differences between input gradient attributions of standard and robust models. Finally, we theoretically prove that our empirical findings hold on a simplified version of the BlockMNIST dataset. Specifically, we prove that input gradients of standard one-hidden-layer MLPs trained on this dataset do not highlight instance-specific signal coordinates, thus grossly violating assumption (A). Our findings motivate the need to formalize and test common assumptions in interpretability in a falsifiable manner [Leavitt and Morcos, 2020]. We believe that the DiffROAR evaluation framework and BlockMNIST-based datasets can serve as sanity checks to audit instance-specific interpretability methods; code and data available at https://github.com/harshays/inputgradients.

This paper explores the use of open generative Large Language Models (LLMs) for annotation tasks in the social sciences. The study highlights the challenges associated with proprietary models, such as limited reproducibility and privacy concerns, and advocates for the adoption of open (source) models that can be operated on independent devices. Two examples of annotation tasks, sentiment analysis in tweets and identification of leisure activities in childhood aspirational essays are provided. The study evaluates the performance of different prompting strategies and models (neural-chat-7b-v3-2, Starling-LM-7B-alpha, openchat_3.5, zephyr-7b-alpha and zephyr-7b-beta). The results indicate the need for careful validation and tailored prompt engineering. The study highlights the advantages of open models for data privacy and reproducibility.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

This paper presents a critical examination of current approaches to replicating OpenAI's O1 model capabilities, with particular focus on the widespread but often undisclosed use of knowledge distillation techniques. While our previous work explored the fundamental technical path to O1 replication, this study reveals how simple distillation from O1's API, combined with supervised fine-tuning, can achieve superior performance on complex mathematical reasoning tasks. Through extensive experiments, we show that a base model fine-tuned on simply tens of thousands of samples O1-distilled long-thought chains outperforms O1-preview on the American Invitational Mathematics Examination (AIME) with minimal technical complexity. Moreover, our investigation extends beyond mathematical reasoning to explore the generalization capabilities of O1-distilled models across diverse tasks: hallucination, safety and open-domain QA. Notably, despite training only on mathematical problem-solving data, our models demonstrated strong generalization to open-ended QA tasks and became significantly less susceptible to sycophancy after fine-tuning. We deliberately make this finding public to promote transparency in AI research and to challenge the current trend of obscured technical claims in the field. Our work includes: (1) A detailed technical exposition of the distillation process and its effectiveness, (2) A comprehensive benchmark framework for evaluating and categorizing O1 replication attempts based on their technical transparency and reproducibility, (3) A critical discussion of the limitations and potential risks of over-relying on distillation approaches, our analysis culminates in a crucial bitter lesson: while the pursuit of more capable AI systems is important, the development of researchers grounded in first-principles thinking is paramount.

Rigorous and reproducible evaluation is critical for assessing the state of the art and for guiding scientific advances in Artificial Intelligence. Evaluation is challenging in practice due to several reasons, including benchmark saturation, lack of transparency in methods used for measurement, development challenges in extracting measurements for generative tasks, and, more generally, the extensive number of capabilities required for a well-rounded comparison across models. We make three contributions to alleviate the above challenges. First, we present Eureka, an open-source framework for standardizing evaluations of large foundation models beyond single-score reporting and rankings. Second, we introduce Eureka-Bench as an extensible collection of benchmarks testing capabilities that (i) are still challenging for state-of-the-art models and (ii) represent fundamental but overlooked language and multimodal capabilities. The inherent space for improvement in non-saturated benchmarks enables us to discover meaningful differences between models at a capability level. Third, using Eureka, we conduct an analysis of 12 state-of-the-art models, providing in-depth insights into failure understanding and model comparison, which can be leveraged to plan targeted improvements. In contrast to recent trends in reports and leaderboards showing absolute rankings and claims for one model or another to be the best, our analysis shows that there is no such best model. Different models have different strengths, but there are models that appear more often than others as best performers for some capabilities. Despite the recent improvements, current models still struggle with several fundamental capabilities including detailed image understanding, benefiting from multimodal input when available rather than fully relying on language, factuality and grounding for information retrieval, and over refusals.

In this paper, we introduce the idea of decomposing the residuals of regression with respect to the data instances instead of features. This allows us to determine the effects of each individual instance on the model and each other, and in doing so makes for a model-agnostic method of identifying instances of interest. In doing so, we can also determine the appropriateness of the model and data in the wider context of a given study. The paper focuses on the possible applications that such a framework brings to the relatively unexplored field of instance analysis in the context of Explainable AI tasks.

The iMet 2020 dataset is a valuable resource in the space of fine-grained art attribution recognition, but we believe it has yet to reach its true potential. We document the unique properties of the dataset and observe that many of the attribute labels are noisy, more than is implied by the dataset description. Oftentimes, there are also semantic relationships between the labels (e.g., identical, mutual exclusion, subsumption, overlap with uncertainty) which we believe are underutilized. We propose an approach to cleaning and structuring the iMet 2020 labels, and discuss the implications and value of doing so. Further, we demonstrate the benefits of our proposed approach through several experiments. Our code and cleaned labels are available at https://github.com/sunniesuhyoung/iMet2020cleaned.

Common methods for aligning already-capable models with desired behavior rely on the ability of humans to provide supervision. However, future superhuman models will surpass the capability of humans. Therefore, humans will only be able to weakly supervise superhuman models. This expected deficiency of human evaluation would weaken the safety of future AI systems. Scalable oversight and weak-to-strong generalization are two complementary approaches to tackle this issue. In this paper, we attempt to combine the strengths of these two approaches to further improve alignment. Specifically, we investigate ways of improving human supervision with a strong pretrained model and then supervise the strong model with enhanced weak human supervision. To make iterative empirical progress, we consider an analogy: can we use a strong model to improve weak model supervision and then use it to supervise the strong model? We empirically test it by finetuning a small weak model on ground truth labels with the additional help from a large strong model, and then finetuning the strong model on labels generated by the weak model. We find that debate can assist a weak model in extracting trustworthy information from an untrustworthy strong model, which provides leverage as context on samples when training a weak model. We also show that an ensemble of weak models helps exploit long arguments generated by strong model debaters and obtain a more robust supervision estimate. Extensive experiments on the OpenAI weak-to-strong NLP benchmarks show that the combination approach leads to better alignment, which indicates that debate has the potential to help weak-to-strong generalization.

The conventional evaluation protocols on machine learning models rely heavily on a labeled, i.i.d-assumed testing dataset, which is not often present in real world applications. The Automated Model Evaluation (AutoEval) shows an alternative to this traditional workflow, by forming a proximal prediction pipeline of the testing performance without the presence of ground-truth labels. Despite its recent successes, the AutoEval frameworks still suffer from an overconfidence issue, substantial storage and computational cost. In that regard, we propose a novel measure -- Meta-Distribution Energy (MDE) -- that allows the AutoEval framework to be both more efficient and effective. The core of the MDE is to establish a meta-distribution statistic, on the information (energy) associated with individual samples, then offer a smoother representation enabled by energy-based learning. We further provide our theoretical insights by connecting the MDE with the classification loss. We provide extensive experiments across modalities, datasets and different architectural backbones to validate MDE's validity, together with its superiority compared with prior approaches. We also prove MDE's versatility by showing its seamless integration with large-scale models, and easy adaption to learning scenarios with noisy- or imbalanced- labels. Code and data are available: https://github.com/pengr/Energy_AutoEval

Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.

Predicting click and conversion probabilities when bidding on ad exchanges is at the core of the programmatic advertising industry. Two separated lines of previous works respectively address i) the prediction of user conversion probability and ii) the attribution of these conversions to advertising events (such as clicks) after the fact. We argue that attribution modeling improves the efficiency of the bidding policy in the context of performance advertising. Firstly we explain the inefficiency of the standard bidding policy with respect to attribution. Secondly we learn and utilize an attribution model in the bidder itself and show how it modifies the average bid after a click. Finally we produce evidence of the effectiveness of the proposed method on both offline and online experiments with data spanning several weeks of real traffic from Criteo, a leader in performance advertising.

Modern machine learning requires system designers to specify aspects of the learning pipeline, such as losses, architectures, and optimizers. Meta-learning, or learning-to-learn, instead aims to learn those aspects, and promises to unlock greater capabilities with less manual effort. One particularly ambitious goal of meta-learning is to train general-purpose in-context learning algorithms from scratch, using only black-box models with minimal inductive bias. Such a model takes in training data, and produces test-set predictions across a wide range of problems, without any explicit definition of an inference model, training loss, or optimization algorithm. In this paper we show that Transformers and other black-box models can be meta-trained to act as general-purpose in-context learners. We characterize transitions between algorithms that generalize, algorithms that memorize, and algorithms that fail to meta-train at all, induced by changes in model size, number of tasks, and meta-optimization. We further show that the capabilities of meta-trained algorithms are bottlenecked by the accessible state size (memory) determining the next prediction, unlike standard models which are thought to be bottlenecked by parameter count. Finally, we propose practical interventions such as biasing the training distribution that improve the meta-training and meta-generalization of general-purpose in-context learning algorithms.

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and well-constrained 2D sketches and 3D constructions are crucial components of CAD modeling. A well-executed CAD model can be seamlessly integrated into the manufacturing process, thereby enhancing production efficiency. Deep generative models of 3D shapes and 3D object reconstruction models have garnered significant research interest. However, most of these models produce discrete forms of 3D objects that are not editable. Moreover, the few models based on CAD operations often have substantial input restrictions. In this work, we fine-tuned pre-trained models to create OpenECAD models (0.55B, 0.89B, 2.4B and 3.1B), leveraging the visual, logical, coding, and general capabilities of visual language models. OpenECAD models can process images of 3D designs as input and generate highly structured 2D sketches and 3D construction commands, ensuring that the designs are editable. These outputs can be directly used with existing CAD tools' APIs to generate project files. To train our network, we created a series of OpenECAD datasets. These datasets are derived from existing public CAD datasets, adjusted and augmented to meet the specific requirements of vision language model (VLM) training. Additionally, we have introduced an approach that utilizes dependency relationships to define and generate sketches, further enriching the content and functionality of the datasets.

In this paper, we study the problem of establishing the accountability and fairness of transparent machine learning models through monotonicity. Although there have been numerous studies on individual monotonicity, pairwise monotonicity is often overlooked in the existing literature. This paper studies transparent neural networks in the presence of three types of monotonicity: individual monotonicity, weak pairwise monotonicity, and strong pairwise monotonicity. As a means of achieving monotonicity while maintaining transparency, we propose the monotonic groves of neural additive models. As a result of empirical examples, we demonstrate that monotonicity is often violated in practice and that monotonic groves of neural additive models are transparent, accountable, and fair.

Machine learning generated content such as image artworks, textual poems and music become prominent in recent years. These tools attract much attention from the media, artists, researchers, and investors. Because these tools are data-driven, they are inherently different than the traditional creative tools which arises the question - who may own the content that is generated by these tools? In this paper we aim to address this question, we start by providing a background to this problem, raising several candidates that may own the content and arguments for each one of them. Then we propose a possible algorithmic solution in the vision-based model's regime. Finally, we discuss the broader implications of this problem.

Large language models (LLMs) have shown impressive results while requiring little or no direct supervision. Further, there is mounting evidence that LLMs may have potential in information-seeking scenarios. We believe the ability of an LLM to attribute the text that it generates is likely to be crucial in this setting. We formulate and study Attributed QA as a key first step in the development of attributed LLMs. We propose a reproducible evaluation framework for the task and benchmark a broad set of architectures. We take human annotations as a gold standard and show that a correlated automatic metric is suitable for development. Our experimental work gives concrete answers to two key questions (How to measure attribution?, and How well do current state-of-the-art methods perform on attribution?), and give some hints as to how to address a third (How to build LLMs with attribution?).

In this paper, we introduce a conformal prediction method to construct prediction sets in a oneshot federated learning setting. More specifically, we define a quantile-of-quantiles estimator and prove that for any distribution, it is possible to output prediction sets with desired coverage in only one round of communication. To mitigate privacy issues, we also describe a locally differentially private version of our estimator. Finally, over a wide range of experiments, we show that our method returns prediction sets with coverage and length very similar to those obtained in a centralized setting. Overall, these results demonstrate that our method is particularly well-suited to perform conformal predictions in a one-shot federated learning setting.

We marry ideas from deep neural networks and approximate Bayesian inference to derive a generalised class of deep, directed generative models, endowed with a new algorithm for scalable inference and learning. Our algorithm introduces a recognition model to represent approximate posterior distributions, and that acts as a stochastic encoder of the data. We develop stochastic back-propagation -- rules for back-propagation through stochastic variables -- and use this to develop an algorithm that allows for joint optimisation of the parameters of both the generative and recognition model. We demonstrate on several real-world data sets that the model generates realistic samples, provides accurate imputations of missing data and is a useful tool for high-dimensional data visualisation.

Automatic generation of graphic designs has recently received considerable attention. However, the state-of-the-art approaches are complex and rely on proprietary datasets, which creates reproducibility barriers. In this paper, we propose an open framework for automatic graphic design called OpenCOLE, where we build a modified version of the pioneering COLE and train our model exclusively on publicly available datasets. Based on GPT4V evaluations, our model shows promising performance comparable to the original COLE. We release the pipeline and training results to encourage open development.

The goal of machine learning is generalization. While the No Free Lunch Theorem states that we cannot obtain theoretical guarantees for generalization without further assumptions, in practice we observe that simple models which explain the training data generalize best: a principle called Occam's razor. Despite the need for simple models, most current approaches in machine learning only minimize the training error, and at best indirectly promote simplicity through regularization or architecture design. Here, we draw a connection between Occam's razor and in-context learning: an emergent ability of certain sequence models like Transformers to learn at inference time from past observations in a sequence. In particular, we show that the next-token prediction loss used to train in-context learners is directly equivalent to a data compression technique called prequential coding, and that minimizing this loss amounts to jointly minimizing both the training error and the complexity of the model that was implicitly learned from context. Our theory and the empirical experiments we use to support it not only provide a normative account of in-context learning, but also elucidate the shortcomings of current in-context learning methods, suggesting ways in which they can be improved. We make our code available at https://github.com/3rdCore/PrequentialCode.

Inference-Time Scaling has been critical to the success of recent models such as OpenAI o1 and DeepSeek R1. However, many techniques used to train models for inference-time scaling require tasks to have answers that can be verified, limiting their application to domains such as math, coding and logical reasoning. We take inspiration from how humans make first attempts, ask for detailed feedback from others and make improvements based on such feedback across a wide spectrum of open-ended endeavors. To this end, we collect data for and train dedicated Feedback and Edit Models that are capable of performing inference-time scaling for open-ended general-domain tasks. In our setup, one model generates an initial response, which are given feedback by a second model, that are then used by a third model to edit the response. We show that performance on Arena Hard, a benchmark strongly predictive of Chatbot Arena Elo can be boosted by scaling the number of initial response drafts, effective feedback and edited responses. When scaled optimally, our setup based on 70B models from the Llama 3 family can reach SoTA performance on Arena Hard at 92.7 as of 5 Mar 2025, surpassing OpenAI o1-preview-2024-09-12 with 90.4 and DeepSeek R1 with 92.3.

As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.

We introduce Bongard-OpenWorld, a new benchmark for evaluating real-world few-shot reasoning for machine vision. It originates from the classical Bongard Problems (BPs): Given two sets of images (positive and negative), the model needs to identify the set that query images belong to by inducing the visual concepts, which is exclusively depicted by images from the positive set. Our benchmark inherits the few-shot concept induction of the original BPs while adding the two novel layers of challenge: 1) open-world free-form concepts, as the visual concepts in Bongard-OpenWorld are unique compositions of terms from an open vocabulary, ranging from object categories to abstract visual attributes and commonsense factual knowledge; 2) real-world images, as opposed to the synthetic diagrams used by many counterparts. In our exploration, Bongard-OpenWorld already imposes a significant challenge to current few-shot reasoning algorithms. We further investigate to which extent the recently introduced Large Language Models (LLMs) and Vision-Language Models (VLMs) can solve our task, by directly probing VLMs, and combining VLMs and LLMs in an interactive reasoning scheme. We even designed a neuro-symbolic reasoning approach that reconciles LLMs & VLMs with logical reasoning to emulate the human problem-solving process for Bongard Problems. However, none of these approaches manage to close the human-machine gap, as the best learner achieves 64% accuracy while human participants easily reach 91%. We hope Bongard-OpenWorld can help us better understand the limitations of current visual intelligence and facilitate future research on visual agents with stronger few-shot visual reasoning capabilities.

Interpretability research now offers a variety of techniques for identifying abstract internal mechanisms in neural networks. Can such techniques be used to predict how models will behave on out-of-distribution examples? In this work, we provide a positive answer to this question. Through a diverse set of language modeling tasks--including symbol manipulation, knowledge retrieval, and instruction following--we show that the most robust features for correctness prediction are those that play a distinctive causal role in the model's behavior. Specifically, we propose two methods that leverage causal mechanisms to predict the correctness of model outputs: counterfactual simulation (checking whether key causal variables are realized) and value probing (using the values of those variables to make predictions). Both achieve high AUC-ROC in distribution and outperform methods that rely on causal-agnostic features in out-of-distribution settings, where predicting model behaviors is more crucial. Our work thus highlights a novel and significant application for internal causal analysis of language models.

While the situation has improved for text-only models, it again seems to be the case currently that multimodal (text and image) models develop faster than ways to evaluate them. In this paper, we bring a recently developed evaluation paradigm from text models to multimodal models, namely evaluation through the goal-oriented game (self) play, complementing reference-based and preference-based evaluation. Specifically, we define games that challenge a model's capability to represent a situation from visual information and align such representations through dialogue. We find that the largest closed models perform rather well on the games that we define, while even the best open-weight models struggle with them. On further analysis, we find that the exceptional deep captioning capabilities of the largest models drive some of the performance. There is still room to grow for both kinds of models, ensuring the continued relevance of the benchmark.

The increasing size and complexity of modern ML systems has improved their predictive capabilities but made their behavior harder to explain. Many techniques for model explanation have been developed in response, but we lack clear criteria for assessing these techniques. In this paper, we cast model explanation as the causal inference problem of estimating causal effects of real-world concepts on the output behavior of ML models given actual input data. We introduce CEBaB, a new benchmark dataset for assessing concept-based explanation methods in Natural Language Processing (NLP). CEBaB consists of short restaurant reviews with human-generated counterfactual reviews in which an aspect (food, noise, ambiance, service) of the dining experience was modified. Original and counterfactual reviews are annotated with multiply-validated sentiment ratings at the aspect-level and review-level. The rich structure of CEBaB allows us to go beyond input features to study the effects of abstract, real-world concepts on model behavior. We use CEBaB to compare the quality of a range of concept-based explanation methods covering different assumptions and conceptions of the problem, and we seek to establish natural metrics for comparative assessments of these methods.