Daily Papers

Digital design requires predicting how a metal surface will look later in its oxidation; this paper presents such a pipeline for copper. Given a fixed-camera observation, the system forecasts appearance 10 accelerated units ahead and converts it into the albedo, normal, roughness and metallic maps a renderer consumes. Forecasting is evaluated as an authoring tool would use it, on a copper specimen the system has not observed: an entire recording is held out, so training and checkpoint selection use one specimen and the test set is the whole of a second, recorded on a different day and condition. Under this protocol a learned spatio-temporal model with a monotone oxidation state, the most accurate forecaster within a single recording, is less accurate than copying the last observed frame on an unseen specimen, in both directions, as are three further trained architectures. The only forecaster that transfers is a closed-form global color extrapolation with no trained parameters, improving on copy-last-frame by 13.4% and 50.6%, with a margin that increases with horizon to +16.7% and +55.5% at t+10. Two controls qualify this: correcting every frame for the photometric drift measured on a non-oxidizing reference region leaves both margins intact, ruling out uncontrolled exposure as their source, and a moving-block bootstrap over the 6 independent windows each recording contains separates the larger margin from zero but leaves the smaller one not individually significant. The mechanism is measured: a learned susceptibility map encodes where corrosion begins on the training specimen and misleads on a new one, whereas the global color trajectory is what specimens share. The pipeline therefore deploys the closed-form forecaster for unseen specimens and the learned model only for continuing one already observed. Code, splits, protocol and leakage audit are released.

Quantitative susceptibility maps from magnetic resonance images can provide both prognostic and diagnostic information in multiple sclerosis, a neurodegenerative disease characterized by the formation of lesions in white matter brain tissue. In particular, susceptibility maps provide adequate contrast to distinguish between "rim" lesions, surrounded by deposited paramagnetic iron, and "non-rim" lesion types. These paramagnetic rim lesions (PRLs) are an emerging biomarker in multiple sclerosis. Much effort has been devoted to both detection and segmentation of such lesions to monitor longitudinal change. As paramagnetic rim lesions are rare, addressing this problem requires confronting the class imbalance between rim and non-rim lesions. We produce synthetic quantitative susceptibility maps of paramagnetic rim lesions and show that inclusion of such synthetic data improves classifier performance and provide a multi-channel extension to generate accompanying contrasts and probabilistic segmentation maps. We exploit the projection capability of our trained generative network to demonstrate a novel denoising approach that allows us to train on ambiguous rim cases and substantially increase the minority class. We show that both synthetic lesion synthesis and our proposed rim lesion label denoising method best approximate the unseen rim lesion distribution and improve detection in a clinically interpretable manner. We release our code and generated data at https://github.com/agr78/PRLx-GAN upon publication.

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.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Machine unlearning, which enables a model to forget specific data, is crucial for ensuring data privacy and model reliability. However, its effectiveness can be severely undermined in real-world scenarios where models learn unintended biases from spurious correlations within the data. This paper investigates the unique challenges of unlearning from such biased models. We identify a novel phenomenon we term ``shortcut unlearning," where models exhibit an ``easy to learn, yet hard to forget" tendency. Specifically, models struggle to forget easily-learned, bias-aligned samples; instead of forgetting the class attribute, they unlearn the bias attribute, which can paradoxically improve accuracy on the class intended to be forgotten. To address this, we propose CUPID, a new unlearning framework inspired by the observation that samples with different biases exhibit distinct loss landscape sharpness. Our method first partitions the forget set into causal- and bias-approximated subsets based on sample sharpness, then disentangles model parameters into causal and bias pathways, and finally performs a targeted update by routing refined causal and bias gradients to their respective pathways. Extensive experiments on biased datasets including Waterbirds, BAR, and Biased NICO++ demonstrate that our method achieves state-of-the-art forgetting performance and effectively mitigates the shortcut unlearning problem.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Catastrophic forgetting in neural networks is a significant problem for continual learning. A majority of the current methods replay previous data during training, which violates the constraints of an ideal continual learning system. Additionally, current approaches that deal with forgetting ignore the problem of catastrophic remembering, i.e. the worsening ability to discriminate between data from different tasks. In our work, we introduce Relevance Mapping Networks (RMNs) which are inspired by the Optimal Overlap Hypothesis. The mappings reflects the relevance of the weights for the task at hand by assigning large weights to essential parameters. We show that RMNs learn an optimized representational overlap that overcomes the twin problem of catastrophic forgetting and remembering. Our approach achieves state-of-the-art performance across all common continual learning datasets, even significantly outperforming data replay methods while not violating the constraints for an ideal continual learning system. Moreover, RMNs retain the ability to detect data from new tasks in an unsupervised manner, thus proving their resilience against catastrophic remembering.

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.

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

Recent unlearning methods for LLMs are vulnerable to relearning attacks: knowledge believed-to-be-unlearned re-emerges by fine-tuning on a small set of (even seemingly-unrelated) examples. We study this phenomenon in a controlled setting for example-level unlearning in vision classifiers. We make the surprising discovery that forget-set accuracy can recover from around 50% post-unlearning to nearly 100% with fine-tuning on just the retain set -- i.e., zero examples of the forget set. We observe this effect across a wide variety of unlearning methods, whereas for a model retrained from scratch excluding the forget set (gold standard), the accuracy remains at 50%. We observe that resistance to relearning attacks can be predicted by weight-space properties, specifically, L_2-distance and linear mode connectivity between the original and the unlearned model. Leveraging this insight, we propose a new class of methods that achieve state-of-the-art resistance to relearning attacks.

Cognitive neuroscience is enjoying rapid increase in extensive public brain-imaging datasets. It opens the door to large-scale statistical models. Finding a unified perspective for all available data calls for scalable and automated solutions to an old challenge: how to aggregate heterogeneous information on brain function into a universal cognitive system that relates mental operations/cognitive processes/psychological tasks to brain networks? We cast this challenge in a machine-learning approach to predict conditions from statistical brain maps across different studies. For this, we leverage multi-task learning and multi-scale dimension reduction to learn low-dimensional representations of brain images that carry cognitive information and can be robustly associated with psychological stimuli. Our multi-dataset classification model achieves the best prediction performance on several large reference datasets, compared to models without cognitive-aware low-dimension representations, it brings a substantial performance boost to the analysis of small datasets, and can be introspected to identify universal template cognitive concepts.

Deep neural networks have significantly improved the performance of low-level vision tasks but also increased the difficulty of interpretability. A deep understanding of deep models is beneficial for both network design and practical reliability. To take up this challenge, we introduce causality theory to interpret low-level vision models and propose a model-/task-agnostic method called Causal Effect Map (CEM). With CEM, we can visualize and quantify the input-output relationships on either positive or negative effects. After analyzing various low-level vision tasks with CEM, we have reached several interesting insights, such as: (1) Using more information of input images (e.g., larger receptive field) does NOT always yield positive outcomes. (2) Attempting to incorporate mechanisms with a global receptive field (e.g., channel attention) into image denoising may prove futile. (3) Integrating multiple tasks to train a general model could encourage the network to prioritize local information over global context. Based on the causal effect theory, the proposed diagnostic tool can refresh our common knowledge and bring a deeper understanding of low-level vision models. Codes are available at https://github.com/J-FHu/CEM.

Refusal refers to the functional behavior enabling safety-aligned language models to reject harmful or unethical prompts. Following the growing scientific interest in mechanistic interpretability, recent work encoded refusal behavior as a single direction in the model's latent space; e.g., computed as the difference between the centroids of harmful and harmless prompt representations. However, emerging evidence suggests that concepts in LLMs often appear to be encoded as a low-dimensional manifold embedded in the high-dimensional latent space. Motivated by these findings, we propose a novel method leveraging Self-Organizing Maps (SOMs) to extract multiple refusal directions. To this end, we first prove that SOMs generalize the prior work's difference-in-means technique. We then train SOMs on harmful prompt representations to identify multiple neurons. By subtracting the centroid of harmless representations from each neuron, we derive a set of multiple directions expressing the refusal concept. We validate our method on an extensive experimental setup, demonstrating that ablating multiple directions from models' internals outperforms not only the single-direction baseline but also specialized jailbreak algorithms, leading to an effective suppression of refusal. Finally, we conclude by analyzing the mechanistic implications of our approach.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging task by learning how to learn new tasks by embedding inductive biases informed by prior learning experiences into the components of the learning algorithm. In this work, we build upon prior research and propose Neural Procedural Bias Meta-Learning (NPBML), a novel framework designed to meta-learn task-adaptive procedural biases. Our approach aims to consolidate recent advancements in meta-learned initializations, optimizers, and loss functions by learning them simultaneously and making them adapt to each individual task to maximize the strength of the learned inductive biases. This imbues each learning task with a unique set of procedural biases which is specifically designed and selected to attain strong learning performance in only a few gradient steps. The experimental results show that by meta-learning the procedural biases of a neural network, we can induce strong inductive biases towards a distribution of learning tasks, enabling robust learning performance across many well-established few-shot learning benchmarks.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.

Machine unlearning (MU) seeks to eliminate the influence of specific training examples from deployed models. As large language models (LLMs) become widely used, managing risks arising from insufficient forgetting or utility loss is increasingly crucial. Current MU techniques lack effective mechanisms for evaluating and controlling these risks, hindering the selection of strategies that appropriately balance safety and utility, and raising trust concerns surrounding the "right to be forgotten." To address these issues, we propose FROC, a unified framework with Risk-Optimized Control for machine unlearning in LLMs. FROC is built around a conformal-style risk-control formulation that expresses a user-specified risk budget on unlearning behavior. This probability-based constraint enables FROC to compare MU strategies, identify feasible operating regions, and guide hyperparameter selection according to desired trade-offs between forgetting sufficiency and utility preservation. To operationalize this constraint, FROC introduces a smoothly varying continuous risk model that aggregates forgetting deficiency and utility degradation into a single configuration-level score. Building on conformal risk analysis, FROC computes (1) the Conformal Unlearning Risk (CUR), a data-driven estimated value on the probability that forgotten samples continue to influence model predictions, and (2) risk-controlled configuration sets, which identify unlearning hyperparameters that are valid under the specified risk budget. Experiments across multiple LLM MU methods demonstrate that FROC produces stable, interpretable risk landscapes and reveals consistent relationships between unlearning configurations, semantic shift, and utility impact. FROC reframes MU as a controllable, risk-aware process and offers a practical foundation for managing unlearning behavior in large-scale LLM deployments.

Convergent Cross Mapping (CCM) is a powerful method for detecting causality in coupled nonlinear dynamical systems, providing a model-free approach to capture dynamic causal interactions. Partial Cross Mapping (PCM) was introduced as an extension of CCM to address indirect causality in three-variable systems by comparing cross-mapping quality between direct cause-effect mapping and indirect mapping through an intermediate conditioning variable. However, PCM remains limited to univariate delay embeddings in its cross-mapping processes. In this work, we extend PCM to the multivariate setting, introducing multiPCM, which leverages multivariate embeddings to more effectively distinguish indirect causal relationships. We further propose a multivariate cross-mapping framework (MXMap) for causal discovery in dynamical systems. This two-phase framework combines (1) pairwise CCM tests to establish an initial causal graph and (2) multiPCM to refine the graph by pruning indirect causal connections. Through experiments on simulated data and the ERA5 Reanalysis weather dataset, we demonstrate the effectiveness of MXMap. Additionally, MXMap is compared against several baseline methods, showing advantages in accuracy and causal graph refinement.

The goal of two-sample tests is to assess whether two samples, S_P sim P^n and S_Q sim Q^m, are drawn from the same distribution. Perhaps intriguingly, one relatively unexplored method to build two-sample tests is the use of binary classifiers. In particular, construct a dataset by pairing the n examples in S_P with a positive label, and by pairing the m examples in S_Q with a negative label. If the null hypothesis "P = Q" is true, then the classification accuracy of a binary classifier on a held-out subset of this dataset should remain near chance-level. As we will show, such Classifier Two-Sample Tests (C2ST) learn a suitable representation of the data on the fly, return test statistics in interpretable units, have a simple null distribution, and their predictive uncertainty allow to interpret where P and Q differ. The goal of this paper is to establish the properties, performance, and uses of C2ST. First, we analyze their main theoretical properties. Second, we compare their performance against a variety of state-of-the-art alternatives. Third, we propose their use to evaluate the sample quality of generative models with intractable likelihoods, such as Generative Adversarial Networks (GANs). Fourth, we showcase the novel application of GANs together with C2ST for causal discovery.

In recent years, active learning has been successfully applied to an array of NLP tasks. However, prior work often assumes that training and test data are drawn from the same distribution. This is problematic, as in real-life settings data may stem from several sources of varying relevance and quality. We show that four popular active learning schemes fail to outperform random selection when applied to unlabelled pools comprised of multiple data sources on the task of natural language inference. We reveal that uncertainty-based strategies perform poorly due to the acquisition of collective outliers, i.e., hard-to-learn instances that hamper learning and generalization. When outliers are removed, strategies are found to recover and outperform random baselines. In further analysis, we find that collective outliers vary in form between sources, and show that hard-to-learn data is not always categorically harmful. Lastly, we leverage dataset cartography to introduce difficulty-stratified testing and find that different strategies are affected differently by example learnability and difficulty.

Self-attention is usually described as a flexible, content-adaptive way to mix a token with information from its past. We reinterpret causal self-attention transformers, the backbone of modern foundation models, within a probabilistic framework, much as classical PCA is extended to probabilistic PCA. This reformulation reveals a key structural consequence of the underlying change of variables: a barrier constraint emerges on the parameters of self-attention. The resulting geometry exposes a degeneracy boundary where the attention-induced mapping becomes locally ill-conditioned, yielding a stability-margin interpretation analogous to the margin in support vector machines. This, in turn, naturally gives rise to the concept of support tokens. We further show that causal transformers define a consistent stochastic process over infinite token sequences, providing a rigorous probabilistic foundation for sequence modeling. Building on this view, we derive a Bayesian MAP training objective that requires only a minimal modification to standard LLM training: adding a smooth log-barrier penalty to the usual cross-entropy loss. Empirically, the resulting training objective improves robustness to input perturbations and sharpens the margin geometry of the learned representations without sacrificing out-of-sample accuracy.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Driven by privacy protection laws and regulations, unlearning in Large Language Models (LLMs) is gaining increasing attention. However, current research often neglects the interpretability of the unlearning process, particularly concerning sample-level unlearning difficulty. Existing studies typically assume a uniform unlearning difficulty across samples. This simplification risks attributing the performance of unlearning algorithms to sample selection rather than the algorithm's design, potentially steering the development of LLM unlearning in the wrong direction. Thus, we investigate the relationship between LLM unlearning and sample characteristics, with a focus on unlearning difficulty. Drawing inspiration from neuroscience, we propose a Memory Removal Difficulty (MRD) metric to quantify sample-level unlearning difficulty. Using MRD, we analyze the characteristics of hard-to-unlearn versus easy-to-unlearn samples. Furthermore, we propose an MRD-based weighted sampling method to optimize existing unlearning algorithms, which prioritizes easily forgettable samples, thereby improving unlearning efficiency and effectiveness. We validate the proposed metric and method using public benchmarks and datasets, with results confirming its effectiveness.

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.

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/

Efficiently and flexibly estimating treatment effect heterogeneity is an important task in a wide variety of settings ranging from medicine to marketing, and there are a considerable number of promising conditional average treatment effect estimators currently available. These, however, typically rely on the assumption that the measured covariates are enough to justify conditional exchangeability. We propose the P-learner, motivated by the R- and DR-learner, a tailored two-stage loss function for learning heterogeneous treatment effects in settings where exchangeability given observed covariates is an implausible assumption, and we wish to rely on proxy variables for causal inference. Our proposed estimator can be implemented by off-the-shelf loss-minimizing machine learning methods, which in the case of kernel regression satisfies an oracle bound on the estimated error as long as the nuisance components are estimated reasonably well.

Fully test-time adaptation aims to adapt the network model based on sequential analysis of input samples during the inference stage to address the cross-domain performance degradation problem of deep neural networks. We take inspiration from the biological plausibility learning where the neuron responses are tuned based on a local synapse-change procedure and activated by competitive lateral inhibition rules. Based on these feed-forward learning rules, we design a soft Hebbian learning process which provides an unsupervised and effective mechanism for online adaptation. We observe that the performance of this feed-forward Hebbian learning for fully test-time adaptation can be significantly improved by incorporating a feedback neuro-modulation layer. It is able to fine-tune the neuron responses based on the external feedback generated by the error back-propagation from the top inference layers. This leads to our proposed neuro-modulated Hebbian learning (NHL) method for fully test-time adaptation. With the unsupervised feed-forward soft Hebbian learning being combined with a learned neuro-modulator to capture feedback from external responses, the source model can be effectively adapted during the testing process. Experimental results on benchmark datasets demonstrate that our proposed method can significantly improve the adaptation performance of network models and outperforms existing state-of-the-art methods.

We propose a game-based formulation for learning dimensionality-reducing representations of feature vectors, when only a prior knowledge on future prediction tasks is available. In this game, the first player chooses a representation, and then the second player adversarially chooses a prediction task from a given class, representing the prior knowledge. The first player aims is to minimize, and the second player to maximize, the regret: The minimal prediction loss using the representation, compared to the same loss using the original features. For the canonical setting in which the representation, the response to predict and the predictors are all linear functions, and under the mean squared error loss function, we derive the theoretically optimal representation in pure strategies, which shows the effectiveness of the prior knowledge, and the optimal regret in mixed strategies, which shows the usefulness of randomizing the representation. For general representations and loss functions, we propose an efficient algorithm to optimize a randomized representation. The algorithm only requires the gradients of the loss function, and is based on incrementally adding a representation rule to a mixture of such rules.

Despite remarkable advances in the field, LLMs remain unreliable in distinguishing causation from correlation. Recent results from the Corr2Cause dataset benchmark reveal that state-of-the-art LLMs -- such as GPT-4 (F1 score: 29.08) -- only marginally outperform random baselines (Random Uniform, F1 score: 20.38), indicating limited capacity of generalization. To tackle this limitation, we propose a novel structured approach: rather than directly answering causal queries, we provide the model with the capability to structure its thinking by guiding the model to build a structured knowledge graph, systematically encoding the provided correlational premises, to answer the causal queries. This intermediate representation significantly enhances the model's causal capabilities. Experiments on the test subset of the Corr2Cause dataset benchmark with Qwen3-32B model (reasoning model) show substantial gains over standard direct prompting methods, improving F1 scores from 32.71 to 48.26 (over 47.5% relative increase), along with notable improvements in precision and recall. These results underscore the effectiveness of providing the model with the capability to structure its thinking and highlight its promising potential for broader generalization across diverse causal inference tasks.

We show how to learn a map that takes a content code, derived from a face image, and a randomly chosen style code to an anime image. We derive an adversarial loss from our simple and effective definitions of style and content. This adversarial loss guarantees the map is diverse -- a very wide range of anime can be produced from a single content code. Under plausible assumptions, the map is not just diverse, but also correctly represents the probability of an anime, conditioned on an input face. In contrast, current multimodal generation procedures cannot capture the complex styles that appear in anime. Extensive quantitative experiments support the idea the map is correct. Extensive qualitative results show that the method can generate a much more diverse range of styles than SOTA comparisons. Finally, we show that our formalization of content and style allows us to perform video to video translation without ever training on videos.

Recent progress in large language models has led to the emergence of reasoning models, which have shown strong performance on complex tasks through specialized fine-tuning procedures. While these methods reliably improve pass@1 accuracy, prior works have observed that they show a coverage shrinkage behavior, where pass@k degrades relative to the base model. In this paper, we investigate the reasoning shrinkage arise under SFT-based post-training. We hypothesize that this behavior is driven by properties of the fine-tuning data, specifically related to decision points or "forks in the road" scenarios where model faces indecipherable patterns with multiple valid reasoning paths. To test this hypothesis, we design controlled case studies that simulate such decision-point settings, spanning indecipherable nodes in graph branching, and reasoning modes. By tracking post-training dynamics in these settings, we find that the shrinkage phenomenon is tightly correlated with the prevalence of decision-point scenarios in the training data. We also demonstrate that this shrinkage behavior can be partially mitigated through targeted data synthesis design of decision-points, and a more systematic diversity-encouraging decoding mechanism. Our findings identify data-centric factors as a key driver of shrinkage in reasoning models and highlight diversity-aware designs as an effective lever for controlling it.

We present the design and implementation of a custom discrete optimization technique for building rule lists over a categorical feature space. Our algorithm produces rule lists with optimal training performance, according to the regularized empirical risk, with a certificate of optimality. By leveraging algorithmic bounds, efficient data structures, and computational reuse, we achieve several orders of magnitude speedup in time and a massive reduction of memory consumption. We demonstrate that our approach produces optimal rule lists on practical problems in seconds. Our results indicate that it is possible to construct optimal sparse rule lists that are approximately as accurate as the COMPAS proprietary risk prediction tool on data from Broward County, Florida, but that are completely interpretable. This framework is a novel alternative to CART and other decision tree methods for interpretable modeling.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

Machine unlearning evaluation is structurally skewed: Why-type questions, which probe causal and relational knowledge, comprise less than 0.06% of CounterFact, 0.6% of ZSRE, and less than 1.3% of TOFU, MUSE, and WMDP-Cyber. This near-zero representation means that methods that fail on causal knowledge can score highly in aggregate, and this failure is undetectable without balanced evaluation. We present 5WBENCH, a balanced 5,000-sample benchmark with 1,000 examples per 5W category (Who, What, When, Where, Why), making causal unlearning failures quantifiable for the first time. Using 5WBENCH, we show that no existing baseline simultaneously achieves high forgetting and high retention on Why-type questions: aggressive forgetting degrades retained knowledge, while conservative methods fail to forget causal facts. Why-type difficulty stems from multi-hop reasoning chains (44% of Why entries vs. less than or equal to 2% for others) and gradient dilution over 40.1-token answer spans. We present MAAT (Multi-phase Adapter-Aware Targeted Unlearning), a three-phase framework operating on LoRA adapter weights, combining gradient-projected ascent, SVD rank-dimension pruning, task vector negation, and hybrid KL-hidden-state retain repair. MAAT is the first method to simultaneously achieve high forgetting and high retention on Why-type causal knowledge, reaching a new operating point on the forget-retain Pareto frontier. We make our code publicly available.

Intelligent tutoring systems optimize the selection and timing of learning materials to enhance understanding and long-term retention. This requires estimates of both the learner's progress (''knowledge tracing''; KT), and the prerequisite structure of the learning domain (''knowledge mapping''). While recent deep learning models achieve high KT accuracy, they do so at the expense of the interpretability of psychologically-inspired models. In this work, we present a solution to this trade-off. PSI-KT is a hierarchical generative approach that explicitly models how both individual cognitive traits and the prerequisite structure of knowledge influence learning dynamics, thus achieving interpretability by design. Moreover, by using scalable Bayesian inference, PSI-KT targets the real-world need for efficient personalization even with a growing body of learners and learning histories. Evaluated on three datasets from online learning platforms, PSI-KT achieves superior multi-step predictive accuracy and scalable inference in continual-learning settings, all while providing interpretable representations of learner-specific traits and the prerequisite structure of knowledge that causally supports learning. In sum, predictive, scalable and interpretable knowledge tracing with solid knowledge mapping lays a key foundation for effective personalized learning to make education accessible to a broad, global audience.

We consider the problem of predicting how the likelihood of an outcome of interest for a patient changes over time as we observe more of the patient data. To solve this problem, we propose a supervised contrastive learning framework that learns an embedding representation for each time step of a patient time series. Our framework learns the embedding space to have the following properties: (1) nearby points in the embedding space have similar predicted class probabilities, (2) adjacent time steps of the same time series map to nearby points in the embedding space, and (3) time steps with very different raw feature vectors map to far apart regions of the embedding space. To achieve property (3), we employ a nearest neighbor pairing mechanism in the raw feature space. This mechanism also serves as an alternative to data augmentation, a key ingredient of contrastive learning, which lacks a standard procedure that is adequately realistic for clinical tabular data, to our knowledge. We demonstrate that our approach outperforms state-of-the-art baselines in predicting mortality of septic patients (MIMIC-III dataset) and tracking progression of cognitive impairment (ADNI dataset). Our method also consistently recovers the correct synthetic dataset embedding structure across experiments, a feat not achieved by baselines. Our ablation experiments show the pivotal role of our nearest neighbor pairing.

Medical reasoning models (MRMs) achieve superior performance on medical benchmarks compared to medical LLMs; however, high accuracy alone is insufficient for practical deployment. One of such requirements for real-world application is robustness to varying output constraints. Specifically, posing the same medical question while requesting different answer formats should not affect the underlying correctness of the response. We investigate this phenomenon in this paper, focusing on MRMs. To quantify this behavior, we propose the metric answer-format robustness: the ability to reliably generate correct outputs across varying specified formats. We examine three representative formats: multiple-choice, open-ended question-answering, and ranked lists. Across 15 proprietary and open-weight models, we observe substantial variation in format robustness (35-100%). Furthermore, we conduct controlled fine-tuning experiments on a shared backbone with matched training data to isolate the effects of the fine-tuning paradigm. We find that supervised fine-tuning yields more stable behavior across formats, whereas reinforcement fine-tuning often exhibits higher cross-format brittleness, with the degree of instability strongly dependent on reward design. Overall, answer-format robustness in MRMs is trainable yet brittle and requires careful evaluation for practical medical use.

Pretrained knowledge memorized in LLMs raises critical concerns over safety and privacy, which has motivated LLM Unlearning as a technique for selectively removing the influences of undesirable knowledge. Existing approaches, rooted in Gradient Ascent (GA), often degrade general domain knowledge while relying on retention data or curated contrastive pairs, which can be either impractical or data and computationally prohibitive. Negative Preference Alignment has been explored for unlearning to tackle the limitations of GA, which, however, remains confined by its choice of reference model and shows undermined performance in realistic data settings. These limitations raise two key questions: i) Can we achieve effective unlearning that quantifies model confidence in undesirable knowledge and uses it to calibrate gradient updates more precisely, thus reducing catastrophic forgetting? ii) Can we make unlearning robust to data scarcity and length variation? We answer both questions affirmatively with CATNIP (Calibrated and Tokenized Negative Preference Alignment), a principled method that rescales unlearning effects in proportion to the model's token-level confidence, thus ensuring fine-grained control over forgetting. Extensive evaluations on MUSE and WMDP benchmarks demonstrated that our work enables effective unlearning without requiring retention data or contrastive unlearning response pairs, with stronger knowledge forgetting and preservation tradeoffs than state-of-the-art methods.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Supervised Fine-Tuning (SFT) is the standard approach for adapting large language models (LLMs) to downstream tasks. However, we observe a persistent failure mode: even after convergence, models often fail to correctly reproduce a subset of their own supervised training data. We refer to this behavior as the Incomplete Learning Phenomenon(ILP). This paper presents the first systematic study of ILP in LLM fine-tuning. We formalize ILP as post-training failure to internalize supervised instances and demonstrate its prevalence across multiple model families, domains, and datasets. Through controlled analyses, we identify five recurrent sources of incomplete learning: (1) missing prerequisite knowledge in the pre-trained model, (2) conflicts between SFT supervision and pre-training knowledge, (3) internal inconsistencies within SFT data, (4) left-side forgetting during sequential fine-tuning, and (5) insufficient optimization for rare or complex patterns. We introduce a diagnostic-first framework that maps unlearned samples to these causes using observable training and inference signals, and study several targeted mitigation strategies as causal interventions. Experiments on Qwen, LLaMA, and OLMo2 show that incomplete learning is widespread and heterogeneous, and that improvements in aggregate metrics can mask persistent unlearned subsets. The findings highlight the need for fine-grained diagnosis of what supervised fine-tuning fails to learn, and why.

Skills are a natural unit for describing what a language model can do and how its behavior can be changed. However, existing characterizations rely on human-written taxonomies, textual descriptions, or manual profiling pipelines--all external hypotheses about what matters that need not align with the model's internal representations. We argue that when the goal is to intervene on model behavior, skill characterization should be *model-native*: grounded in the model's own representations rather than imposed through external ontologies. We instantiate this view by recovering a compact orthogonal basis from sequence-level activations. The resulting basis is semantically interpretable but need not correspond to any predefined human ontology; instead, it captures axes of behavioral variation that the model itself organizes around. We validate this characterization on reasoning post-training, using the recovered basis for both SFT data selection and inference-time steering. We develop lightweight proxy interventions to identify which directions are most useful for a given model. Across Llama3-8B and Qwen2.5-3B, selecting data along those directions improves Pass@1 by up to 20% on MATH and 41% on AMC, outperforming data selection based on human-characterized skills. Because the basis lives in activation space, the same directions also serve as steering vectors at inference time, improving Pass@8 by up to 4.8% on MATH--an intervention that human-characterized skills cannot support. We further validate the characterization on safety alignment, where selecting adversarial training data for model-native skill coverage rather than textual diversity yields more sample-efficient learning. These results suggest that recovering skills from the model's own representations, rather than imposing them externally, provides a more effective foundation for intervening on model behavior. Codes are open-sourced.

Reasoning models leveraging long chains of thought employ various cognitive skills, such as verification of their answers, backtracking, retrying by an alternate method, and more. Previous work has shown that when a base language model exhibits these skills, training that model further with reinforcement learning (RL) can learn to leverage them. How can we get models to leverage skills that aren't exhibited by base models? Our work, SkillFactory, is a method for fine-tuning models to roughly learn these skills during a supervised fine-tuning (SFT) stage prior to RL. Our approach does not rely on distillation from a stronger model, but instead uses samples from the model itself, rearranged to provide training data in the format of those skills. These "silver" SFT traces may be imperfect, but are nevertheless effective for priming a model to acquire skills during RL. Our evaluation shows that (1) starting from SkillFactory SFT initialization helps a model to generalize to harder variants of a task post-RL, despite lower performance pre-RL; (2) cognitive skills are indeed used by the model; (3) RLed SkillFactory models are more robust to regression on out-of-domain tasks than RLed base models. Our work suggests that inductive biases learned prior to RL help models learn robust cognitive skill use.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Out-of-distribution (OOD) prediction is often approached by restricting models to causal or invariant covariates, avoiding non-causal spurious associations that may be unstable across environments. Despite its theoretical appeal, this strategy frequently underperforms empirical risk minimization (ERM) in practice. We investigate the source of this gap and show that such failures naturally arise when only a subset of the true causes of the outcome is observed. In these settings, non-causal spurious covariates can serve as informative proxies for unobserved causes and substantially improve prediction, except under distribution shifts that break these proxy relationships. Consequently, the optimal set of predictive covariates is neither universal nor necessarily exhibits invariant relationships with the outcome across all environments, but instead depends on the specific type of shift encountered. Crucially, we observe that different covariate shifts induce distinct, observable signatures in the covariate distribution itself. Moreover, these signatures can be extracted from unlabeled data in the target OOD environment and used to assess when proxy covariates remain reliable and when they fail. Building on this observation, we propose an environment-adaptive covariate selection (EACS) algorithm that maps environment-level covariate summaries to environment-specific covariate sets, while allowing the incorporation of prior causal knowledge as constraints. Across simulations and applied datasets, EACS consistently outperforms static causal, invariant, and ERM-based predictors under diverse distribution shifts.

Incorporating external context can significantly enhance the response quality of Large Language Models (LLMs). However, real-world contexts often mix relevant information with disproportionate inappropriate content, posing reliability risks. How do LLMs process and prioritize mixed context? To study this, we introduce the Poisoned Context Testbed, pairing queries with real-world contexts containing relevant and inappropriate content. Inspired by associative learning in animals, we adapt the Rescorla-Wagner (RW) model from neuroscience to quantify how competing contextual signals influence LLM outputs. Our adapted model reveals a consistent behavioral pattern: LLMs exhibit a strong tendency to incorporate information that is less prevalent in the context. This susceptibility is harmful in real-world settings, where small amounts of inappropriate content can substantially degrade response quality. Empirical evaluations on our testbed further confirm this vulnerability. To tackle this, we introduce RW-Steering, a two-stage finetuning-based approach that enables the model to internally identify and ignore inappropriate signals. Unlike prior methods that rely on extensive supervision across diverse context mixtures, RW-Steering generalizes robustly across varying proportions of inappropriate content. Experiments show that our best fine-tuned model improves response quality by 39.8% and reverses the undesirable behavior curve, establishing RW-Steering as a robust, generalizable context engineering solution for improving LLM safety in real-world use.

While Large Language Models (LLMs) have demonstrated impressive performance in various domains and tasks, concerns about their safety are becoming increasingly severe. In particular, since models may store unsafe knowledge internally, machine unlearning has emerged as a representative paradigm to ensure model safety. Existing approaches employ various training techniques, such as gradient ascent and negative preference optimization, in attempts to eliminate the influence of undesired data on target models. However, these methods merely suppress the activation of undesired data through parametric training without completely eradicating its informational traces within the model. This fundamental limitation makes it difficult to achieve effective continuous unlearning, rendering these methods vulnerable to relearning attacks. To overcome these challenges, we propose a Metamorphosis Representation Projection (MRP) approach that pioneers the application of irreversible projection properties to machine unlearning. By implementing projective transformations in the hidden state space of specific network layers, our method effectively eliminates harmful information while preserving useful knowledge. Experimental results demonstrate that our approach enables effective continuous unlearning and successfully defends against relearning attacks, achieving state-of-the-art performance in unlearning effectiveness while preserving natural performance. Our code is available in https://github.com/ChengcanWu/MRP.

Conventional supervised learning methods typically assume i.i.d samples and are found to be sensitive to out-of-distribution (OOD) data. We propose Generative Causal Representation Learning (GCRL) which leverages causality to facilitate knowledge transfer under distribution shifts. While we evaluate the effectiveness of our proposed method in human trajectory prediction models, GCRL can be applied to other domains as well. First, we propose a novel causal model that explains the generative factors in motion forecasting datasets using features that are common across all environments and with features that are specific to each environment. Selection variables are used to determine which parts of the model can be directly transferred to a new environment without fine-tuning. Second, we propose an end-to-end variational learning paradigm to learn the causal mechanisms that generate observations from features. GCRL is supported by strong theoretical results that imply identifiability of the causal model under certain assumptions. Experimental results on synthetic and real-world motion forecasting datasets show the robustness and effectiveness of our proposed method for knowledge transfer under zero-shot and low-shot settings by substantially outperforming the prior motion forecasting models on out-of-distribution prediction. Our code is available at https://github.com/sshirahmad/GCRL.

In this paper, we investigate knowledge forgetting in large language models with a focus on its generalisation, ensuring that models forget not only specific training samples but also related implicit knowledge. To this end, we begin by identifying a broader unlearning scope that includes both target data and logically associated samples, including rephrased, subject-replaced, relation-reversed, and one-hop reasoned data. We then conduct a rigorous evaluation of 15 state-of-the-art methods across three datasets, revealing that unlearned models still recall paraphrased answers and retain target facts in their intermediate layers. This motivates us to take a preliminary step toward more generalised implicit knowledge forgetting by proposing PerMU, a novel probability perturbation-based unlearning paradigm. PerMU simulates adversarial unlearning samples to eliminate fact-related tokens from the logit distribution, collectively reducing the probabilities of all answer-associated tokens. Experiments are conducted on a diverse range of datasets, including TOFU, Harry Potter, ZsRE, WMDP, and MUSE, using models ranging from 1.3B to 13B in scale. The results demonstrate that PerMU delivers up to a 50.40% improvement in unlearning vanilla target data while maintaining a 40.73% boost in forgetting implicit knowledge. Our code can be found in https://github.com/MaybeLizzy/PERMU.

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.

The origin of adversarial examples is still inexplicable in research fields, and it arouses arguments from various viewpoints, albeit comprehensive investigations. In this paper, we propose a way of delving into the unexpected vulnerability in adversarially trained networks from a causal perspective, namely adversarial instrumental variable (IV) regression. By deploying it, we estimate the causal relation of adversarial prediction under an unbiased environment dissociated from unknown confounders. Our approach aims to demystify inherent causal features on adversarial examples by leveraging a zero-sum optimization game between a casual feature estimator (i.e., hypothesis model) and worst-case counterfactuals (i.e., test function) disturbing to find causal features. Through extensive analyses, we demonstrate that the estimated causal features are highly related to the correct prediction for adversarial robustness, and the counterfactuals exhibit extreme features significantly deviating from the correct prediction. In addition, we present how to effectively inoculate CAusal FEatures (CAFE) into defense networks for improving adversarial robustness.

This paper proposes a Disentangled gEnerative cAusal Representation (DEAR) learning method under appropriate supervised information. Unlike existing disentanglement methods that enforce independence of the latent variables, we consider the general case where the underlying factors of interests can be causally related. We show that previous methods with independent priors fail to disentangle causally related factors even under supervision. Motivated by this finding, we propose a new disentangled learning method called DEAR that enables causal controllable generation and causal representation learning. The key ingredient of this new formulation is to use a structural causal model (SCM) as the prior distribution for a bidirectional generative model. The prior is then trained jointly with a generator and an encoder using a suitable GAN algorithm incorporated with supervised information on the ground-truth factors and their underlying causal structure. We provide theoretical justification on the identifiability and asymptotic convergence of the proposed method. We conduct extensive experiments on both synthesized and real data sets to demonstrate the effectiveness of DEAR in causal controllable generation, and the benefits of the learned representations for downstream tasks in terms of sample efficiency and distributional robustness.

We aim to understand grokking, a phenomenon where models generalize long after overfitting their training set. We present both a microscopic analysis anchored by an effective theory and a macroscopic analysis of phase diagrams describing learning performance across hyperparameters. We find that generalization originates from structured representations whose training dynamics and dependence on training set size can be predicted by our effective theory in a toy setting. We observe empirically the presence of four learning phases: comprehension, grokking, memorization, and confusion. We find representation learning to occur only in a "Goldilocks zone" (including comprehension and grokking) between memorization and confusion. We find on transformers the grokking phase stays closer to the memorization phase (compared to the comprehension phase), leading to delayed generalization. The Goldilocks phase is reminiscent of "intelligence from starvation" in Darwinian evolution, where resource limitations drive discovery of more efficient solutions. This study not only provides intuitive explanations of the origin of grokking, but also highlights the usefulness of physics-inspired tools, e.g., effective theories and phase diagrams, for understanding deep learning.

Directly learning from examples of random difficulty levels is often challenging for both humans and machine learning models. A more effective strategy involves exposing learners to examples in a progressive order, from easy to difficult. Curriculum Learning (CL) has been proposed to implement this strategy in machine learning model training. However, two key challenges persist in CL framework design: defining the difficulty of training data and determining the appropriate amount of data to input at each training step. This paper presents a Psychology-based Unified Dynamic Framework for Curriculum Learning (PUDF), drawing inspiration from psychometrics. We quantify the difficulty of training data by applying Item Response Theory (IRT) to responses from Artificial Crowds (AC). This theory-driven IRT-AC approach leads to global (i.e., model-independent) and interpretable difficulty values. Leveraging IRT, we propose a Dynamic Data Selection via Model Ability Estimation (DDS-MAE) strategy to schedule the appropriate amount of data during model training. Since our difficulty labeling and model ability estimation are based on a consistent theory, namely IRT, their values are comparable within the same scope, potentially leading to a faster convergence compared to the other CL methods. Experimental results demonstrate that fine-tuning pre-trained language models with PUDF enhances their performance on the GLUE benchmark. Moreover, PUDF surpasses other state-of-the-art (SOTA) CL methods on the GLUE benchmark. We further explore the components of PUDF, namely the difficulty measurer (IRT-AC) and the training scheduler (DDS-MAE) qualitatively and quantitatively. Lastly, we conduct an ablation study to clarify which components of PUDF contribute to faster convergence and higher accuracy.

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

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

Supervised fine-tuning (SFT) on a small, high-quality set of long reasoning traces is an effective approach for eliciting strong reasoning capabilities in Large Language Models (LLMs). However, existing methods for curating high-quality SFT data rely heavily on strong reasoning models to filter examples based on diversity and difficulty, making the curation process costly while often yielding suboptimal data quality. In this work, we show that diverse and challenging reasoning examples can be identified using only the initial reasoning tokens. Specifically, we demonstrate that difficult problems can be reliably detected based on the loss of the first 100 reasoning tokens evaluated at a randomly perturbed checkpoint of the pretrained model. We further show that examples exhibiting similar loss patterns over their first 1k reasoning tokens across a small number of perturbed checkpoints extrapolating along the fine-tuning trajectory provably induce similar gradients. We validate our approach through extensive experiments on fine-tuning Qwen2.5-7B and Llama3.1-8B models on the M23K medical reasoning and OpenThoughts-Math datasets. Our method outperforms existing baselines by up to 1.7% while being 91% more token efficient.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

Understanding how machine learning models respond to distributional shifts is a key research challenge. Mazes serve as an excellent testbed due to varied generation algorithms offering a nuanced platform to simulate both subtle and pronounced distributional shifts. To enable systematic investigations of model behavior on out-of-distribution data, we present maze-dataset, a comprehensive library for generating, processing, and visualizing datasets consisting of maze-solving tasks. With this library, researchers can easily create datasets, having extensive control over the generation algorithm used, the parameters fed to the algorithm of choice, and the filters that generated mazes must satisfy. Furthermore, it supports multiple output formats, including rasterized and text-based, catering to convolutional neural networks and autoregressive transformer models. These formats, along with tools for visualizing and converting between them, ensure versatility and adaptability in research applications.

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, f-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. The generality of \frameworkname is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

When users can benefit from certain predictive outcomes, they may be prone to act to achieve those outcome, e.g., by strategically modifying their features. The goal in strategic classification is therefore to train predictive models that are robust to such behavior. However, the conventional framework assumes that changing features does not change actual outcomes, which depicts users as "gaming" the system. Here we remove this assumption, and study learning in a causal strategic setting where true outcomes do change. Focusing on accuracy as our primary objective, we show how strategic behavior and causal effects underlie two complementing forms of distribution shift. We characterize these shifts, and propose a learning algorithm that balances between these two forces and over time, and permits end-to-end training. Experiments on synthetic and semi-synthetic data demonstrate the utility of our approach.

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

The concept of causal abstraction got recently popularised to demystify the opaque decision-making processes of machine learning models; in short, a neural network can be abstracted as a higher-level algorithm if there exists a function which allows us to map between them. Notably, most interpretability papers implement these maps as linear functions, motivated by the linear representation hypothesis: the idea that features are encoded linearly in a model's representations. However, this linearity constraint is not required by the definition of causal abstraction. In this work, we critically examine the concept of causal abstraction by considering arbitrarily powerful alignment maps. In particular, we prove that under reasonable assumptions, any neural network can be mapped to any algorithm, rendering this unrestricted notion of causal abstraction trivial and uninformative. We complement these theoretical findings with empirical evidence, demonstrating that it is possible to perfectly map models to algorithms even when these models are incapable of solving the actual task; e.g., on an experiment using randomly initialised language models, our alignment maps reach 100% interchange-intervention accuracy on the indirect object identification task. This raises the non-linear representation dilemma: if we lift the linearity constraint imposed to alignment maps in causal abstraction analyses, we are left with no principled way to balance the inherent trade-off between these maps' complexity and accuracy. Together, these results suggest an answer to our title's question: causal abstraction is not enough for mechanistic interpretability, as it becomes vacuous without assumptions about how models encode information. Studying the connection between this information-encoding assumption and causal abstraction should lead to exciting future work.

We introduce Invariant Risk Minimization (IRM), a learning paradigm to estimate invariant correlations across multiple training distributions. To achieve this goal, IRM learns a data representation such that the optimal classifier, on top of that data representation, matches for all training distributions. Through theory and experiments, we show how the invariances learned by IRM relate to the causal structures governing the data and enable out-of-distribution generalization.

In this paper, we present DendroMap, a novel approach to interactively exploring large-scale image datasets for machine learning (ML). ML practitioners often explore image datasets by generating a grid of images or projecting high-dimensional representations of images into 2-D using dimensionality reduction techniques (e.g., t-SNE). However, neither approach effectively scales to large datasets because images are ineffectively organized and interactions are insufficiently supported. To address these challenges, we develop DendroMap by adapting Treemaps, a well-known visualization technique. DendroMap effectively organizes images by extracting hierarchical cluster structures from high-dimensional representations of images. It enables users to make sense of the overall distributions of datasets and interactively zoom into specific areas of interests at multiple levels of abstraction. Our case studies with widely-used image datasets for deep learning demonstrate that users can discover insights about datasets and trained models by examining the diversity of images, identifying underperforming subgroups, and analyzing classification errors. We conducted a user study that evaluates the effectiveness of DendroMap in grouping and searching tasks by comparing it with a gridified version of t-SNE and found that participants preferred DendroMap. DendroMap is available at https://div-lab.github.io/dendromap/.

We introduce a new approach to functional causal modeling from observational data, called Causal Generative Neural Networks (CGNN). CGNN leverages the power of neural networks to learn a generative model of the joint distribution of the observed variables, by minimizing the Maximum Mean Discrepancy between generated and observed data. An approximate learning criterion is proposed to scale the computational cost of the approach to linear complexity in the number of observations. The performance of CGNN is studied throughout three experiments. Firstly, CGNN is applied to cause-effect inference, where the task is to identify the best causal hypothesis out of Xrightarrow Y and Yrightarrow X. Secondly, CGNN is applied to the problem of identifying v-structures and conditional independences. Thirdly, CGNN is applied to multivariate functional causal modeling: given a skeleton describing the direct dependences in a set of random variables X = [X_1, ldots, X_d], CGNN orients the edges in the skeleton to uncover the directed acyclic causal graph describing the causal structure of the random variables. On all three tasks, CGNN is extensively assessed on both artificial and real-world data, comparing favorably to the state-of-the-art. Finally, CGNN is extended to handle the case of confounders, where latent variables are involved in the overall causal model.

RLHF has emerged as a predominant approach for aligning artificial intelligence systems with human preferences, demonstrating exceptional and measurable efficacy in instruction following tasks; however, it exhibits insufficient compliance capabilities when confronted with complex multi-instruction tasks. Conventional approaches rely heavily on human annotation or more sophisticated large language models, thereby introducing substantial resource expenditure or potential bias concerns. Meanwhile, alternative synthetic methods that augment standard preference datasets often compromise the model's semantic quality. Our research identifies a critical oversight in existing techniques, which predominantly focus on comparing responses while neglecting valuable latent signals embedded within prompt inputs, and which only focus on preference disparities at the intra-sample level, while neglecting to account for the inter-sample level preference differentials that exist among preference data. To leverage these previously neglected indicators, we propose a novel Multi-level Aware Preference Learning (MAPL) framework, capable of enhancing multi-instruction capabilities. Specifically, for any given response in original preference data pairs, we construct varied prompts with a preference relation under different conditions, in order to learn intra-sample level preference disparities. Furthermore, for any given original preference pair, we synthesize multi-instruction preference pairs to capture preference discrepancies at the inter-sample level. Building on the two datasets constructed above, we consequently devise two sophisticated training objective functions. Subsequently, our framework integrates seamlessly into both Reward Modeling and Direct Preference Optimization paradigms. Through rigorous evaluation across multiple benchmarks, we empirically validate the efficacy of our framework.

Probabilistic models are typically trained using task-agnostic objectives like log-loss, which can lead to significant errors in downstream estimation. This disconnect is especially critical in Inverse Probability Weighting (IPW) for causal inference, where propensity score errors near 0 and 1 often lead to high bias and variance. We propose a principled framework for deriving task-specific strictly proper scoring rules by matching the local curvature of the downstream error metric. We apply this to the Average Treatment Effect (ATE) estimation, deriving a closed-form loss and its corresponding canonical probability mapping that can be readily integrated with any model like a neural network or a gradient boosting algorithm. Extensive evaluations on causal inference benchmarks demonstrate that our tailored objective consistently outperforms standard likelihood-based and covariate-balancing approaches.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

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

Concept-based explanations quantify how high-level concepts (e.g., gender or experience) influence model behavior, which is crucial for decision-makers in high-stakes domains. Recent work evaluates the faithfulness of such explanations by comparing them to reference causal effects estimated from counterfactuals. In practice, existing benchmarks rely on costly human-written counterfactuals that serve as an imperfect proxy. To address this, we introduce a framework for constructing datasets containing structural counterfactual pairs: LIBERTy (LLM-based Interventional Benchmark for Explainability with Reference Targets). LIBERTy is grounded in explicitly defined Structured Causal Models (SCMs) of the text generation, interventions on a concept propagate through the SCM until an LLM generates the counterfactual. We introduce three datasets (disease detection, CV screening, and workplace violence prediction) together with a new evaluation metric, order-faithfulness. Using them, we evaluate a wide range of methods across five models and identify substantial headroom for improving concept-based explanations. LIBERTy also enables systematic analysis of model sensitivity to interventions: we find that proprietary LLMs show markedly reduced sensitivity to demographic concepts, likely due to post-training mitigation. Overall, LIBERTy provides a much-needed benchmark for developing faithful explainability methods.

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.

The trustworthy machine learning (ML) community is increasingly recognizing the crucial need for models capable of selectively 'unlearning' data points after training. This leads to the problem of machine unlearning (MU), aiming to eliminate the influence of chosen data points on model performance, while still maintaining the model's utility post-unlearning. Despite various MU methods for data influence erasure, evaluations have largely focused on random data forgetting, ignoring the vital inquiry into which subset should be chosen to truly gauge the authenticity of unlearning performance. To tackle this issue, we introduce a new evaluative angle for MU from an adversarial viewpoint. We propose identifying the data subset that presents the most significant challenge for influence erasure, i.e., pinpointing the worst-case forget set. Utilizing a bi-level optimization principle, we amplify unlearning challenges at the upper optimization level to emulate worst-case scenarios, while simultaneously engaging in standard training and unlearning at the lower level, achieving a balance between data influence erasure and model utility. Our proposal offers a worst-case evaluation of MU's resilience and effectiveness. Through extensive experiments across different datasets (including CIFAR-10, 100, CelebA, Tiny ImageNet, and ImageNet) and models (including both image classifiers and generative models), we expose critical pros and cons in existing (approximate) unlearning strategies. Our results illuminate the complex challenges of MU in practice, guiding the future development of more accurate and robust unlearning algorithms. The code is available at https://github.com/OPTML-Group/Unlearn-WorstCase.

Causal sensitivity analysis aims to provide bounds for causal effect estimates in the presence of unobserved confounding. However, existing methods for causal sensitivity analysis are per-instance procedures, meaning that changes to the dataset, causal query, sensitivity level, or treatment require new computation. Here, we instead present an in-context learning approach. Specifically, we propose an amortized approach to causal sensitivity analysis based on prior-data fitted networks. A key challenge is that the sensitivity bounds are not directly available when sampling training data. To address this, we develop a general prior-data construction that is applicable across the class of generalized treatment sensitivity models. Our construction involves a Lagrangian scalarization of the objective to generate training labels for the bounds through a tradeoff between causal effect min/max-imization and sensitivity model violation, which avoids model-specific analytical derivations. We further show that, under standard convexity and linearity conditions, our objective recovers the full Pareto frontier of solutions. Empirically, we demonstrate our amortized approach across various datasets, causal queries, and sensitivity levels, where our approach achieves a test-time computation that is orders of magnitude faster than per-instance methods. To the best of our knowledge, ours is the first foundation model for in-context learning for causal sensitivity analysis.

Despite their impressive capabilities, current Text-to-Image (T2I) models remain prone to generating unsafe and toxic content. While activation steering offers a promising inference-time intervention, we observe that linear activation steering frequently degrades image quality when applied to benign prompts. To address this trade-off, we first construct SafeSteerDataset, a contrastive dataset containing 2300 safe and unsafe prompt pairs with high cosine similarity. Leveraging this data, we propose Conditioned Activation Transport (CAT), a framework that employs a geometry-based conditioning mechanism and nonlinear transport maps. By conditioning transport maps to activate only within unsafe activation regions, we minimize interference with benign queries. We validate our approach on two state-of-the-art architectures: Z-Image and Infinity. Experiments demonstrate that CAT generalizes effectively across these backbones, significantly reducing Attack Success Rate while maintaining image fidelity compared to unsteered generations. Warning: This paper contains potentially offensive text and images.

Spatial intelligence is a critical frontier for Multimodal Large Language Models (MLLMs), empowering them to comprehend the physical world. Drawing inspiration from human perception mechanisms, existing studies attempt to construct a coherent spatial understanding via grid-based cognitive maps from multi-frame visual inputs. However, current grid-based map methods rely on discretized raster representations, which limit the model's ability in fine-grained spatial reasoning. To overcome this limitation, we propose Video2Layout, a framework for reconstructing metric-grounded spatial layouts from video. The framework employs continuous object boundary coordinates to quantify inter-object physical distances and object size. This empowers the model with quantitative spatial computation capabilities, effectively alleviating the inherent ambiguity when describing spatial relationships in natural language. Specifically, our method comprises two core stages. First, in supervised fine-tuning stage, we construct a high-quality dataset from the AI2THOR simulator, which enables the model to learn the mapping from visual inputs to precise boundary coordinates. Subsequently, a reinforcement fine-tuning stage further enhances the model's real-world generalization capabilities. To systematically evaluate the correlation between cognitive map accuracy and image quantity, as well as how the quantity of image inputs affects spatial reasoning accuracy, we introduce QVS-Bench, a diagnostic benchmark designed to analyze the relevant mechanisms. Evaluated on QVS-Bench and mainstream spatial reasoning benchmarks, our model, V2LO-7B achieves an average improvement of 4.92% over the model trained on grid maps, validating the superiority of our method. Our code is available at https://github.com/ybrrraway/Video2Layout.

Neural algorithmic reasoning is an emerging research direction that endows neural networks with the ability to mimic algorithmic executions step-by-step. A common paradigm in existing designs involves the use of historical embeddings in predicting the results of future execution steps. Our observation in this work is that such historical dependence intrinsically contradicts the Markov nature of algorithmic reasoning tasks. Based on this motivation, we present our ForgetNet, which does not use historical embeddings and thus is consistent with the Markov nature of the tasks. To address challenges in training ForgetNet at early stages, we further introduce G-ForgetNet, which uses a gating mechanism to allow for the selective integration of historical embeddings. Such an enhanced capability provides valuable computational pathways during the model's early training phase. Our extensive experiments, based on the CLRS-30 algorithmic reasoning benchmark, demonstrate that both ForgetNet and G-ForgetNet achieve better generalization capability than existing methods. Furthermore, we investigate the behavior of the gating mechanism, highlighting its degree of alignment with our intuitions and its effectiveness for robust performance.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Rapidly learning abstract concepts from limited examples is a hallmark of human intelligence. This work investigates whether gradient-based meta-learning can equip neural networks with inductive biases for efficient few-shot acquisition of discrete concepts. I compare meta-learning methods against a supervised learning baseline on Boolean concepts (logical statements) generated by a probabilistic context-free grammar (PCFG). By systematically varying concept dimensionality (number of features) and recursive compositionality (depth of grammar recursion), I delineate between complexity regimes in which meta-learning robustly improves few-shot concept learning and regimes in which it does not. Meta-learners are much better able to handle compositional complexity than featural complexity. I highlight some reasons for this with a representational analysis of the weights of meta-learners and a loss landscape analysis demonstrating how featural complexity increases the roughness of loss trajectories, allowing curvature-aware optimization to be more effective than first-order methods. I find improvements in out-of-distribution generalization on complex concepts by increasing the number of adaptation steps in meta-SGD, where adaptation acts as a way of encouraging exploration of rougher loss basins. Overall, this work highlights the intricacies of learning compositional versus featural complexity in high dimensional concept spaces and provides a road to understanding the role of 2nd order methods and extended gradient adaptation in few-shot concept learning.

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.

Large Language Models (LLMs), despite their advanced linguistic capabilities, fundamentally lack an intuitive understanding of physical dynamics, which limits their effectiveness in real-world scenarios that require causal reasoning. In this paper, we introduce Causal World Model Induction (CWMI), a novel framework designed to embed an explicit model of causal physics within an LLM. Our approach incorporates a dedicated Causal Physics Module (CPM) and a new training objective called Causal Intervention Loss, encouraging the model to learn cause-and-effect relationships from multimodal data. By training the model to predict the outcomes of hypothetical interventions instead of merely capturing statistical correlations, CWMI develops a robust internal representation of physical laws. Experimental results show that CWMI significantly outperforms state-of-the-art LLMs on zero-shot physical reasoning tasks, including the PIQA benchmark and our newly proposed PhysiCa-Bench dataset. These findings demonstrate that inducing a causal world model is a critical step toward more reliable and generalizable AI systems.

Learning algorithms are often used in conjunction with expert decision makers in practical scenarios, however this fact is largely ignored when designing these algorithms. In this paper we explore how to learn predictors that can either predict or choose to defer the decision to a downstream expert. Given only samples of the expert's decisions, we give a procedure based on learning a classifier and a rejector and analyze it theoretically. Our approach is based on a novel reduction to cost sensitive learning where we give a consistent surrogate loss for cost sensitive learning that generalizes the cross entropy loss. We show the effectiveness of our approach on a variety of experimental tasks.

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

We investigate whether independently trained language models converge to geometrically compatible latent representations, and whether this compatibility can be exploited to correct model behavior at inference time without any weight updates. We learn a linear projection matrix that maps activation vectors from a large teacher model into the coordinate system of a smaller student model, then intervene on the student's residual stream during generation by substituting its internal state with the translated teacher representation. Across a fully crossed experimental matrix of 20 heterogeneous teacher-student pairings spanning mixture-of-experts, dense, code-specialized, and synthetically trained architectures, the Ridge projection consistently achieves R^2 = 0.50 on verbal reasoning and R^2 = 0.40 on mathematical reasoning, collapsing to R^2 = -0.22 under permutation control and R^2 = 0.01 under L_1 regularization. Behavioral correction rates range from 14.0% to 50.0% on TruthfulQA (mean 25.2%) and from 8.5% to 43.3% on GSM8K arithmetic reasoning (mean 25.5%), demonstrating that the method generalizes across fundamentally different reasoning domains. We report a near-zero correlation between geometric alignment quality and behavioral correction rate (r = -0.07), revealing a dissociation between representation space fidelity and output space impact. Intervention strength is architecture-specific: student models exhibit characteristic sensitivity profiles that invert across domains, with the most steerable verbal student becoming the least steerable mathematical student. Finally, a double dissociation experiment conducted across all 20 model pairings confirms without exception that projection matrices collapse catastrophically when transferred across reasoning domains (mean R^2 = -3.83 in both transfer directions), establishing domain-specific subspace geometry as a universal property of LMs.

We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.

The traditional i.i.d.-based learning paradigm faces inherent challenges in addressing causal relationships, which has become increasingly evident with the rise of applications in causal representation learning. Our understanding of causality naturally requires a perspective as the creator rather than observer, as the ``what...if'' questions only hold within the possible world we conceive. The traditional perspective limits capturing dynamic causal outcomes and leads to compensatory efforts such as the reliance on hidden confounders. This paper lays the groundwork for the new perspective, which enables the relation-first modeling paradigm for causality. Also, it introduces the Relation-Indexed Representation Learning (RIRL) as a practical implementation, supported by experiments that validate its efficacy.

Previous work has found a gap between the scale of neural networks that reliably learn Conway's Game of Life, and minimal networks capable of representing the classic cellular automaton with hard-coded parameter values. Viewing neural network learning as a search process suggests a dependence on networks large enough to contain sub-networks with lucky initializations (sometimes known as 'winning tickets') that actually learn the task. In this work, we reorient our perspective from discovering Life rules as a search problem back to a learning problem, and reason that with fitting inductive biases, the problem should be much more amenable to minimal networks. We find that network variants with several alternative activation functions meaningfully outperform the default choice of Rectified Linear Units, and in particular, that a 2nd degree polynomial activation function consistently learns Life dynamics with or without the benefit of learning neural weights. Our results provide an informative demonstration of the benefits of matching learning to the task at hand and challenge the easy default choice of scale for all problems. In particular, we advocate for the use of cellular automata as simple test domains for developing strategies that can benefit machine learning for science, physics-based deep learning, and interpretable machine learning.

When making predictions, a language model must trade off how much it relies on its context vs. its prior knowledge. Choosing how sensitive the model is to its context is a fundamental functionality, as it enables the model to excel at tasks like retrieval-augmented generation and question-answering. In this paper, we search for a knob which controls this sensitivity, determining whether language models answer from the context or their prior knowledge. To guide this search, we design a task for controllable context sensitivity. In this task, we first feed the model a context (Paris is in England) and a question (Where is Paris?); we then instruct the model to either use its prior or contextual knowledge and evaluate whether it generates the correct answer for both intents (either France or England). When fine-tuned on this task, instruction-tuned versions of Llama-3.1, Mistral-v0.3, and Gemma-2 can solve it with high accuracy (85-95%). Analyzing these high-performing models, we narrow down which layers may be important to context sensitivity using a novel linear time algorithm. Then, in each model, we identify a 1-D subspace in a single layer that encodes whether the model follows context or prior knowledge. Interestingly, while we identify this subspace in a fine-tuned model, we find that the exact same subspace serves as an effective knob in not only that model but also non-fine-tuned instruct and base models of that model family. Finally, we show a strong correlation between a model's performance and how distinctly it separates context-agreeing from context-ignoring answers in this subspace. These results suggest a single subspace facilitates how the model chooses between context and prior knowledge, hinting at a simple fundamental mechanism that controls this behavior.

Supervised fine-tuning (SFT) provides the standard approach for teaching LLMs new behaviors from offline expert demonstrations. However, standard SFT uniformly fits all samples -- including those with low likelihood under the base model -- which can disproportionately drive training updates toward overfitting specific samples rather than learning the target behavior. Moreover, adapting to these unlikely samples induces substantial policy shifts that degrade prior capabilities. Existing methods mitigate this by filtering, regenerating, or down-weighting low-likelihood data. In doing so, they often suppress precisely the novel behaviors the base model has yet to learn. We propose InfoSFT, a principled weighting scheme for the SFT objective that concentrates learning signals on maximally informative, medium-confidence tokens -- those neither overly familiar to the base model nor too unlikely to cause instability. Requiring only a one-line modification to the standard token-wise loss, InfoSFT demonstrably improves generalization over vanilla SFT and likelihood-weighted baselines across math, code, and chain-of-thought tasks with diverse model families, while better preserving pre-existing capabilities.

Scientific discovery via symbolic regression is often viewed as statistically and computationally intractable because the hypothesis space of expressions grows combinatorially with depth. This paper revisits the statistical side through the lens of PAC learning, focusing on compositional function trees built from a finite vocabulary of smooth operators (e.g., {+,times,sin,exp} and affine maps). We prove that the relevant generalization quantity, Rademacher complexity, hence the excess risk, does not necessarily blow up exponentially with the number of distinct symbolic structures, but is controlled by (i) the depth d and (ii) the Lipschitz constants of the base operators along the composed computation graph. Concretely, under mild Lipschitz conditions on operators and bounded affine leaves, a finite-union bound over a vocabulary of size K=|H_{base}| together with Maurer-type vector contraction yields R_n(H_{comp}^{d}) leq (Kb2L)^{d-1}R_n(H_{comp}^{1}) with arity bound b; corresponding high-probability risk bounds scale as O(L^{d}/n) when K,b=O(1) and R_n(H_{comp}^{1})=O(n^{-1/2}). We complement the theory with a modular codebase that trains differentiable operator trees (not MLPs) on synthetic "physics-like" targets of controlled depth and shows that the empirical generalization gap correlates positively with the predicted complexity term (L^{d})/n.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

Neural-symbolic learning, an intersection of neural networks and symbolic reasoning, aims to blend neural networks' learning capabilities with symbolic AI's interpretability and reasoning. This paper introduces an approach designed to improve the performance of neural models in learning reasoning tasks. It achieves this by integrating Answer Set Programming (ASP) solvers and domain-specific expertise, which is an approach that diverges from traditional complex neural-symbolic models. In this paper, a shallow artificial neural network (ANN) is specifically trained to solve Sudoku puzzles with minimal training data. The model has a unique loss function that integrates losses calculated using the ASP solver outputs, effectively enhancing its training efficiency. Most notably, the model shows a significant improvement in solving Sudoku puzzles using only 12 puzzles for training and testing without hyperparameter tuning. This advancement indicates that the model's enhanced reasoning capabilities have practical applications, extending well beyond Sudoku puzzles to potentially include a variety of other domains. The code can be found on GitHub: https://github.com/Fadi2200/ASPEN.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

LLMs usually exhibit limitations in their ability to incorporate new knowledge, the generation of hallucinations, and the transparency of their decision-making process. In this paper, we explore how to prompt LLMs with knowledge graphs (KG), working as a remedy to engage LLMs with up-to-date knowledge and elicit the reasoning pathways from LLMs. Specifically, we build a prompting pipeline that endows LLMs with the capability of comprehending KG inputs and inferring with a combined implicit knowledge and the retrieved external knowledge. In addition, we investigate eliciting the mind map on which LLMs perform the reasoning and generate the answers. It is identified that the produced mind map exhibits the reasoning pathways of LLMs grounded on the ontology of knowledge, hence bringing the prospects of probing and gauging LLM inference in production. The experiments on three question & answering datasets also show that MindMap prompting leads to a striking empirical gain. For instance, prompting a GPT-3.5 with MindMap yields an overwhelming performance over GPT-4 consistently. We also demonstrate that with structured facts retrieved from KG, MindMap can outperform a series of prompting-with-document-retrieval methods, benefiting from more accurate, concise, and comprehensive knowledge from KGs. To reproduce our results and extend the framework further, we make our codebase available at https://github.com/wyl.willing/MindMap.

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data generated by a simulator, bypassing both the hand-engineering of suitable score functions and the search over graphs. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.

Understanding a student's problem-solving strategy can have a significant impact on effective math learning using Intelligent Tutoring Systems (ITSs) and Adaptive Instructional Systems (AISs). For instance, the ITS/AIS can better personalize itself to correct specific misconceptions that are indicated by incorrect strategies, specific problems can be designed to improve strategies and frustration can be minimized by adapting to a student's natural way of thinking rather than trying to fit a standard strategy for all. While it may be possible for human experts to identify strategies manually in classroom settings with sufficient student interaction, it is not possible to scale this up to big data. Therefore, we leverage advances in Machine Learning and AI methods to perform scalable strategy prediction that is also fair to students at all skill levels. Specifically, we develop an embedding called MVec where we learn a representation based on the mastery of students. We then cluster these embeddings with a non-parametric clustering method where we progressively learn clusters such that we group together instances that have approximately symmetrical strategies. The strategy prediction model is trained on instances sampled from these clusters. This ensures that we train the model over diverse strategies and also that strategies from a particular group do not bias the DNN model, thus allowing it to optimize its parameters over all groups. Using real world large-scale student interaction datasets from MATHia, we implement our approach using transformers and Node2Vec for learning the mastery embeddings and LSTMs for predicting strategies. We show that our approach can scale up to achieve high accuracy by training on a small sample of a large dataset and also has predictive equality, i.e., it can predict strategies equally well for learners at diverse skill levels.

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is computationally challenging in large-scale systems. The identified causal set consists of all potential regulators of the target variable under experimental settings, enabling efficient regulation when intervention costs and feasibility vary across variables. To achieve this, we train a neural network using supervised learning on simulated data to infer causality. By employing a local-inference strategy, our approach scales with linear complexity in the number of variables, efficiently scaling up to thousands of variables. Empirical results demonstrate superior performance in identifying causal relationships within large-scale gene regulatory networks, outperforming existing methods that emphasize full-graph discovery. We validate our model's generalization capability across out-of-distribution graph structures and generating mechanisms, including gene regulatory networks of E. coli and the human K562 cell line. Implementation codes are available at https://github.com/snu-mllab/Targeted-Cause-Discovery.

To combine the advantages of Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL), recent methods have integrated ''hints'' into post-training, which are prefix segments of complete reasoning trajectories, aiming for powerful knowledge expansion and reasoning generalization. However, existing hint-based RL methods typically ignore difficulty when scheduling hint ratios and estimating relative advantages, leading to unstable learning and excessive imitation of off-policy hints. In this work, we propose ADHint, which treats difficulty as a key factor in both hint-ratio schedule and relative-advantage estimation to achieve a better trade-off between exploration and imitation. Specifically, we propose Adaptive Hint with Sample Difficulty Prior, which evaluates each sample's difficulty under the policy model and accordingly schedules an appropriate hint ratio to guide its rollouts. We also introduce Consistency-based Gradient Modulation and Selective Masking for Hint Preservation to modulate token-level gradients within hints, preventing biased and destructive updates. Additionally, we propose Advantage Estimation with Rollout Difficulty Posterior, which leverages the relative difficulty of rollouts with and without hints to estimate their respective advantages, thereby achieving more balanced updates. Extensive experiments across diverse modalities, model scales, and domains demonstrate that ADHint delivers superior reasoning ability and out-of-distribution generalization, consistently surpassing existing methods in both pass@1 and avg@8. Our code and dataset will be made publicly available upon paper acceptance.

Fine-grained visual reasoning remains a core challenge for multimodal large language models (MLLMs). The recently introduced ReasonMap highlights this gap by showing that even advanced MLLMs struggle with spatial reasoning in structured and information-rich settings such as transit maps, a task of clear practical and scientific importance. However, standard reinforcement learning (RL) on such tasks is impeded by sparse rewards and unstable optimization. To address this, we first construct ReasonMap-Plus, an extended dataset that introduces dense reward signals through Visual Question Answering (VQA) tasks, enabling effective cold-start training of fine-grained visual understanding skills. Next, we propose RewardMap, a multi-stage RL framework designed to improve both visual understanding and reasoning capabilities of MLLMs. RewardMap incorporates two key designs. First, we introduce a difficulty-aware reward design that incorporates detail rewards, directly tackling the sparse rewards while providing richer supervision. Second, we propose a multi-stage RL scheme that bootstraps training from simple perception to complex reasoning tasks, offering a more effective cold-start strategy than conventional Supervised Fine-Tuning (SFT). Experiments on ReasonMap and ReasonMap-Plus demonstrate that each component of RewardMap contributes to consistent performance gains, while their combination yields the best results. Moreover, models trained with RewardMap achieve an average improvement of 3.47% across 6 benchmarks spanning spatial reasoning, fine-grained visual reasoning, and general tasks beyond transit maps, underscoring enhanced visual understanding and reasoning capabilities.

Machine unlearning is becoming essential for building trustworthy and compliant language models. Yet unlearning success varies considerably across individual samples: some are reliably erased, while others persist despite the same procedure. We argue that this disparity is not only a data-side phenomenon, but also reflects model-internal mechanisms that encode and protect memorized information. We study this problem from a mechanistic perspective based on model circuits--structured interaction pathways that govern how predictions are formed. We propose Circuit-guided Unlearning Difficulty (CUD), a {\em pre-unlearning} metric that assigns each sample a continuous difficulty score using circuit-level signals. Extensive experiments demonstrate that CUD reliably separates intrinsically easy and hard samples, and remains stable across unlearning methods. We identify key circuit-level patterns that reveal a mechanistic signature of difficulty: easy-to-unlearn samples are associated with shorter, shallower interactions concentrated in earlier-to-intermediate parts of the original model, whereas hard samples rely on longer and deeper pathways closer to late-stage computation. Compared to existing qualitative studies, CUD takes a first step toward a principled, fine-grained, and interpretable analysis of unlearning difficulty; and motivates the development of unlearning methods grounded in model mechanisms.

Causal inference, estimating causal effects from observational data, is a fundamental tool in many disciplines. Of particular importance across a variety of domains is the continuous treatment setting, where the variable of intervention has a continuous range. This setting is far less explored and represents a substantial shift from the binary treatment setting, with models needing to represent effects across a continuum of treatment values. In this paper, we present the first causal foundation model for the continuous treatment setting. Our model meta-learns the ability to predict causal effects across a wide variety of unseen tasks without additional training or fine-tuning. First, we design a novel prior over data-generating processes with continuous treatment variables in order to generate a rich causal training corpus. We then train a transformer to reconstruct individual treatment-response curves given only observational data, leveraging in-context learning to amortize expensive Bayesian posterior inference. Our model achieves state-of-the-art performance on individual treatment-response curve reconstruction tasks compared to causal models which are trained specifically for those tasks.

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average 1-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

Machine learning models are routinely used to support decisions that affect individuals -- be it to screen a patient for a serious illness or to gauge their response to treatment. In these tasks, we are limited to learning models from datasets with noisy labels. In this paper, we study the instance-level impact of learning under label noise. We introduce a notion of regret for this regime, which measures the number of unforeseen mistakes due to noisy labels. We show that standard approaches to learning under label noise can return models that perform well at a population-level while subjecting individuals to a lottery of mistakes. We present a versatile approach to estimate the likelihood of mistakes at the individual-level from a noisy dataset by training models over plausible realizations of datasets without label noise. This is supported by a comprehensive empirical study of label noise in clinical prediction tasks. Our results reveal how failure to anticipate mistakes can compromise model reliability and adoption -- we demonstrate how we can address these challenges by anticipating and avoiding regretful decisions.

Flow and diffusion models generate high-quality samples in many modalities; however, many network evaluations are required during inference due to numerical integration of an underlying differential equation. Flow maps alleviate this problem by learning the solution map of the differential equation directly, enabling few-step sampling. Yet, current methods are restricted to approximating the solution map of ODEs. These methods can be used to learn the transition kernel of an SDE, thereby obtaining a solution map that recovers the marginal distributions of the process (weak convergence) rather than the solution path (strong convergence). We propose Strong Stochastic Flow Maps (SSFMs) as a novel framework for learning the strong solution map of additive-noise SDEs, directly generalizing deterministic flow maps to the stochastic setting. Further, a polynomial approximation to Brownian motion is introduced and shown to converge pathwise. These results enable a simulation-free training objective for the solution map of diffusion models. We demonstrate that SSFMs outperform previous stochastic flow map methods on image generation and enable few-step sampling of molecular systems.

Fairness for machine learning predictions is widely required in practice for legal, ethical, and societal reasons. Existing work typically focuses on settings without unobserved confounding, even though unobserved confounding can lead to severe violations of causal fairness and, thus, unfair predictions. In this work, we analyze the sensitivity of causal fairness to unobserved confounding. Our contributions are three-fold. First, we derive bounds for causal fairness metrics under different sources of unobserved confounding. This enables practitioners to examine the sensitivity of their machine learning models to unobserved confounding in fairness-critical applications. Second, we propose a novel neural framework for learning fair predictions, which allows us to offer worst-case guarantees of the extent to which causal fairness can be violated due to unobserved confounding. Third, we demonstrate the effectiveness of our framework in a series of experiments, including a real-world case study about predicting prison sentences. To the best of our knowledge, ours is the first work to study causal fairness under unobserved confounding. To this end, our work is of direct practical value as a refutation strategy to ensure the fairness of predictions in high-stakes applications.

We introduce Phi-4-reasoning, a 14-billion parameter reasoning model that achieves strong performance on complex reasoning tasks. Trained via supervised fine-tuning of Phi-4 on carefully curated set of "teachable" prompts-selected for the right level of complexity and diversity-and reasoning demonstrations generated using o3-mini, Phi-4-reasoning generates detailed reasoning chains that effectively leverage inference-time compute. We further develop Phi-4-reasoning-plus, a variant enhanced through a short phase of outcome-based reinforcement learning that offers higher performance by generating longer reasoning traces. Across a wide range of reasoning tasks, both models outperform significantly larger open-weight models such as DeepSeek-R1-Distill-Llama-70B model and approach the performance levels of full DeepSeek-R1 model. Our comprehensive evaluations span benchmarks in math and scientific reasoning, coding, algorithmic problem solving, planning, and spatial understanding. Interestingly, we observe a non-trivial transfer of improvements to general-purpose benchmarks as well. In this report, we provide insights into our training data, our training methodologies, and our evaluations. We show that the benefit of careful data curation for supervised fine-tuning (SFT) extends to reasoning language models, and can be further amplified by reinforcement learning (RL). Finally, our evaluation points to opportunities for improving how we assess the performance and robustness of reasoning models.

Large language models fine-tuned on human behavioural data have emerged as general-purpose cognitive proxies, but the scale this requires, and whether these models process task structure or exploit statistical shortcuts, remain open questions. We train fourteen models from 135M to 14B parameters across four architecture families on Psych-101, a dataset of 10.7 million trial-level choices from 160 experiments. For in-distribution simulations, scale barely matters. The models fall within a narrow band, as though against a ceiling, and 0.6B to 1B parameters suffice to match a 70B baseline on held-out participants. Out-of-distribution, that band opens into a markedly steeper scaling gradient, with larger models clearly advantaged in generalisation to novel task structure. To determine what information these models use, we run two diagnostics. We progressively strip four prompt channels -- task instructions, experimental stimuli, outcome feedback, and choice history -- across 27 experiments, and permute trial order. Masking the content of stimuli and feedback destroys 75.7% of learned information and pushes models below chance, demonstrating that choice history alone does not account for performance. Permutation reveals invariance on tasks with independent trials but sensitivity where trial order is determined by prior responses. Small cognitively fine-tuned models therefore show promise as noise ceiling estimators for psychological experiments, though their scope remains bounded by the paradigms seen in training.

Gradients can be employed for sensitivity analysis. Here, we leverage the advantages of the Loss Landscape to comprehend which independent variables impact the dependent variable. We seek to grasp the loss landscape by utilizing first, second, and third derivatives through automatic differentiation. we know that Spearman's rank correlation coefficient can detect the monotonic relationship between two variables. However, I have found that second-order gradients, with certain configurations and parameters, provide information that can be visualized similarly to Spearman results, In this approach, we incorporate a loss function with an activation function, resulting in a non-linear pattern. Each exploration of the loss landscape through retraining yields new valuable information. Furthermore, the first and third derivatives are also beneficial, as they indicate the extent to which independent variables influence the dependent variable.

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.

Self-supervised learning (SSL) learns high-quality representations from large pools of unlabeled training data. As datasets grow larger, it becomes crucial to identify the examples that contribute the most to learning such representations. This enables efficient SSL by reducing the volume of data required. Nevertheless, quantifying the value of examples for SSL has remained an open question. In this work, we address this problem for the first time, by proving that examples that contribute the most to contrastive SSL are those that have the most similar augmentations to other examples, in expectation. We provide rigorous guarantees for the generalization performance of contrastive learning on such subsets. Through extensive experiments, we show that we can safely exclude 20% of examples from CIFAR100 and 40% from STL10 and TinyImageNet, without affecting downstream task performance. In general, subsets selected by our method outperform random subsets by over 3% across these datasets. Interestingly, we also discover the subsets that contribute the most to contrastive learning are those that contribute the least to supervised learning.

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.

Machine learning models trained on Earth observation data, such as satellite imagery, have demonstrated significant promise in predicting household-level wealth indices, enabling the creation of high-resolution wealth maps that can be leveraged across multiple causal trials. However, because standard training objectives prioritize overall predictive accuracy, these predictions inherently suffer from shrinkage toward the mean, leading to attenuated estimates of causal treatment effects and limiting their utility in policy. Existing debiasing methods, such as Prediction-Powered Inference, can handle this attenuation bias but require additional fresh ground-truth data at the downstream stage of causal inference, which restricts their applicability in data-scarce environments. Here, we introduce and evaluate two correction methods -- linear calibration correction and Tweedie's correction -- that substantially reduce prediction bias without relying on newly collected labeled data. Linear calibration corrects bias through a straightforward linear transformation derived from held-out calibration data, whereas Tweedie's correction leverages empirical Bayes principles to directly address shrinkage-induced biases by exploiting score functions derived from the model's learning patterns. Through analytical exercises and experiments using Demographic and Health Survey data, we demonstrate that the proposed methods meet or outperform existing approaches that either require (a) adjustments to training pipelines or (b) additional labeled data. These approaches may represent a promising avenue for improving the reliability of causal inference when direct outcome measures are limited or unavailable, enabling a "one map, many trials" paradigm where a single upstream data creation team produces predictions usable by many downstream teams across diverse ML pipelines.

Reinforcement learning (RL)-based fine-tuning has become a crucial step in post-training language models for advanced mathematical reasoning and coding. Following the success of frontier reasoning models, recent work has demonstrated that RL fine-tuning consistently improves performance, even in smaller-scale models; however, the underlying mechanisms driving these improvements are not well-understood. Understanding the effects of RL fine-tuning requires disentangling its interaction with pretraining data composition, hyperparameters, and model scale, but such problems are exacerbated by the lack of transparency regarding the training data used in many existing models. In this work, we present a systematic end-to-end study of RL fine-tuning for mathematical reasoning by training models entirely from scratch on different mixtures of fully open datasets. We investigate the effects of various RL fine-tuning algorithms (PPO, GRPO, and Expert Iteration) across models of different scales. Our study reveals that RL algorithms consistently converge towards a dominant output distribution, amplifying patterns in the pretraining data. We also find that models of different scales trained on the same data mixture will converge to distinct output distributions, suggesting that there are scale-dependent biases in model generalization. Moreover, we find that RL post-training on simpler questions can lead to performance gains on harder ones, indicating that certain reasoning capabilities generalize across tasks. Our findings show that small-scale proxies in controlled settings can elicit interesting insights regarding the role of RL in shaping language model behavior.

Large language models often retain unintended content, prompting growing interest in knowledge unlearning. Recent approaches emphasize localized unlearning, restricting parameter updates to specific regions in an effort to remove target knowledge while preserving unrelated general knowledge. However, their effectiveness remains uncertain due to the lack of robust and thorough evaluation of the trade-off between the competing goals of unlearning. In this paper, we begin by revisiting existing localized unlearning approaches. We then conduct controlled experiments to rigorously evaluate whether local parameter updates causally contribute to unlearning. Our findings reveal that the set of parameters that must be modified for effective unlearning is not strictly determined, challenging the core assumption of localized unlearning that parameter locality is inherently indicative of effective knowledge removal.

Diffusion models have emerged as the principal paradigm for generative modeling across various domains. During training, they learn the score function, which in turn is used to generate samples at inference. They raise a basic yet unsolved question: which score do they actually learn? In principle, a diffusion model that matches the empirical score in the entire data space would simply reproduce the training data, failing to generate novel samples. Recent work addresses this question by arguing that diffusion models underfit the empirical score due to training-time inductive biases. In this work, we refine this perspective, introducing the notion of selective underfitting: instead of underfitting the score everywhere, better diffusion models more accurately approximate the score in certain regions of input space, while underfitting it in others. We characterize these regions and design empirical interventions to validate our perspective. Our results establish that selective underfitting is essential for understanding diffusion models, yielding new, testable insights into their generalization and generative performance.

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.

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.

How can we teach large multimodal models (LMMs) new skills without erasing prior abilities? We study sequential fine-tuning on five target skills while monitoring general ability on eight held-out benchmarks across three model families. We observe that apparent "forgetting" on held-out tasks after narrow fine-tuning can partly recover at later stages. We trace this behavior to a measurable shift in the output token distribution, manifested through a simple counting-bias probe that co-varies with forgetting. Guided by this picture, we identify two simple, robust tuning recipes that learn strongly while limiting drift: (i) updating only the self-attention projection layers, and (ii) updating only the MLP Gate&Up while freezing the Down projection. Across models and tasks, these choices deliver strong target gains while largely preserving held-out performance. Code is available at https://github.com/jessemelpolio/LMM_CL