Daily Papers

Explanation fidelity, which measures how accurately an explanation reflects a model's true reasoning, remains critically underexplored in recommender systems. We introduce SPINRec (Stochastic Path Integration for Neural Recommender Explanations), a model-agnostic approach that adapts path-integration techniques to the sparse and implicit nature of recommendation data. To overcome the limitations of prior methods, SPINRec employs stochastic baseline sampling: instead of integrating from a fixed or unrealistic baseline, it samples multiple plausible user profiles from the empirical data distribution and selects the most faithful attribution path. This design captures the influence of both observed and unobserved interactions, yielding more stable and personalized explanations. We conduct the most comprehensive fidelity evaluation to date across three models (MF, VAE, NCF), three datasets (ML1M, Yahoo! Music, Pinterest), and a suite of counterfactual metrics, including AUC-based perturbation curves and fixed-length diagnostics. SPINRec consistently outperforms all baselines, establishing a new benchmark for faithful explainability in recommendation. Code and evaluation tools are publicly available at https://github.com/DeltaLabTLV/SPINRec.

Acquiring reviewers for academic submissions is a challenging recommendation scenario. Recent graph learning-driven models have made remarkable progress in the field of recommendation, but their performance in the academic reviewer recommendation task may suffer from a significant false negative issue. This arises from the assumption that unobserved edges represent negative samples. In fact, the mechanism of anonymous review results in inadequate exposure of interactions between reviewers and submissions, leading to a higher number of unobserved interactions compared to those caused by reviewers declining to participate. Therefore, investigating how to better comprehend the negative labeling of unobserved interactions in academic reviewer recommendations is a significant challenge. This study aims to tackle the ambiguous nature of unobserved interactions in academic reviewer recommendations. Specifically, we propose an unsupervised Pseudo Neg-Label strategy to enhance graph contrastive learning (GCL) for recommending reviewers for academic submissions, which we call RevGNN. RevGNN utilizes a two-stage encoder structure that encodes both scientific knowledge and behavior using Pseudo Neg-Label to approximate review preference. Extensive experiments on three real-world datasets demonstrate that RevGNN outperforms all baselines across four metrics. Additionally, detailed further analyses confirm the effectiveness of each component in RevGNN.

The intimate entanglement between objects affordances and human poses is of large interest, among others, for behavioural sciences, cognitive psychology, and Computer Vision communities. In recent years, the latter has developed several object-centric approaches: starting from items, learning pipelines synthesizing human poses and dynamics in a realistic way, satisfying both geometrical and functional expectations. However, the inverse perspective is significantly less explored: Can we infer 3D objects and their poses from human interactions alone? Our investigation follows this direction, showing that a generic 3D human point cloud is enough to pop up an unobserved object, even when the user is just imitating a functionality (e.g., looking through a binocular) without involving a tangible counterpart. We validate our method qualitatively and quantitatively, with synthetic data and sequences acquired for the task, showing applicability for XR/VR. The code is available at https://github.com/ptrvilya/object-popup.

The goal of one-class collaborative filtering (OCCF) is to identify the user-item pairs that are positively-related but have not been interacted yet, where only a small portion of positive user-item interactions (e.g., users' implicit feedback) are observed. For discriminative modeling between positive and negative interactions, most previous work relied on negative sampling to some extent, which refers to considering unobserved user-item pairs as negative, as actual negative ones are unknown. However, the negative sampling scheme has critical limitations because it may choose "positive but unobserved" pairs as negative. This paper proposes a novel OCCF framework, named as BUIR, which does not require negative sampling. To make the representations of positively-related users and items similar to each other while avoiding a collapsed solution, BUIR adopts two distinct encoder networks that learn from each other; the first encoder is trained to predict the output of the second encoder as its target, while the second encoder provides the consistent targets by slowly approximating the first encoder. In addition, BUIR effectively alleviates the data sparsity issue of OCCF, by applying stochastic data augmentation to encoder inputs. Based on the neighborhood information of users and items, BUIR randomly generates the augmented views of each positive interaction each time it encodes, then further trains the model by this self-supervision. Our extensive experiments demonstrate that BUIR consistently and significantly outperforms all baseline methods by a large margin especially for much sparse datasets in which any assumptions about negative interactions are less valid.

Drug discovery is a complex and time-intensive process that requires identifying and validating new therapeutic candidates. Computational approaches using large-scale biomedical knowledge graphs (KGs) offer a promising solution to accelerate this process. However, extracting meaningful insights from large-scale KGs remains challenging due to the complexity of graph traversal. Existing subgraph-based methods are tailored to graph neural networks (GNNs), making them incompatible with other models, such as large language models (LLMs). We introduce K-Paths, a retrieval framework that extracts structured, diverse, and biologically meaningful paths from KGs. Integrating these paths enables LLMs and GNNs to effectively predict unobserved drug-drug and drug-disease interactions. Unlike traditional path-ranking approaches, K-Paths retrieves and transforms paths into a structured format that LLMs can directly process, facilitating explainable reasoning. K-Paths employs a diversity-aware adaptation of Yen's algorithm to retrieve the K shortest loopless paths between entities in an interaction query, prioritizing biologically relevant and diverse relationships. Our experiments on benchmark datasets show that K-Paths improves the zero-shot performance of Llama 8.1B's F1-score by 12.45 points on drug repurposing and 13.42 points on interaction severity prediction. We also show that Llama 70B achieves F1-score gains of 6.18 and 8.46 points, respectively. K-Paths also improves the supervised training efficiency of EmerGNN, a state-of-the-art GNN, by reducing KG size by 90% while maintaining strong predictive performance. Beyond its scalability and efficiency, K-Paths uniquely bridges the gap between KGs and LLMs, providing explainable rationales for predicted interactions. These capabilities show that K-Paths is a valuable tool for efficient data-driven drug discovery.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Machine learning models are often trained to predict the outcome resulting from a human decision. For example, if a doctor decides to test a patient for disease, will the patient test positive? A challenge is that historical decision-making determines whether the outcome is observed: we only observe test outcomes for patients doctors historically tested. Untested patients, for whom outcomes are unobserved, may differ from tested patients along observed and unobserved dimensions. We propose a Bayesian model class which captures this setting. The purpose of the model is to accurately estimate risk for both tested and untested patients. Estimating this model is challenging due to the wide range of possibilities for untested patients. To address this, we propose two domain constraints which are plausible in health settings: a prevalence constraint, where the overall disease prevalence is known, and an expertise constraint, where the human decision-maker deviates from purely risk-based decision-making only along a constrained feature set. We show theoretically and on synthetic data that domain constraints improve parameter inference. We apply our model to a case study of cancer risk prediction, showing that the model's inferred risk predicts cancer diagnoses, its inferred testing policy captures known public health policies, and it can identify suboptimalities in test allocation. Though our case study is in healthcare, our analysis reveals a general class of domain constraints which can improve model estimation in many settings.

Causal inference plays a vital role in diverse domains like epidemiology, healthcare, and economics. De-confounding and counterfactual prediction in observational data has emerged as a prominent concern in causal inference research. While existing models tackle observed confounders, the presence of unobserved confounders remains a significant challenge, distorting causal inference and impacting counterfactual outcome accuracy. To address this, we propose a novel variational learning model of unobserved confounders for counterfactual inference (VLUCI), which generates the posterior distribution of unobserved confounders. VLUCI relaxes the unconfoundedness assumption often overlooked by most causal inference methods. By disentangling observed and unobserved confounders, VLUCI constructs a doubly variational inference model to approximate the distribution of unobserved confounders, which are used for inferring more accurate counterfactual outcomes. Extensive experiments on synthetic and semi-synthetic datasets demonstrate VLUCI's superior performance in inferring unobserved confounders. It is compatible with state-of-the-art counterfactual inference models, significantly improving inference accuracy at both group and individual levels. Additionally, VLUCI provides confidence intervals for counterfactual outcomes, aiding decision-making in risk-sensitive domains. We further clarify the considerations when applying VLUCI to cases where unobserved confounders don't strictly conform to our model assumptions using the public IHDP dataset as an example, highlighting the practical advantages of VLUCI.

Given only observational data X = g(Z), where both the latent variables Z and the generating process g are unknown, recovering Z is ill-posed without additional assumptions. Existing methods often assume linearity or rely on auxiliary supervision and functional constraints. However, such assumptions are rarely verifiable in practice, and most theoretical guarantees break down under even mild violations, leaving uncertainty about how to reliably understand the hidden world. To make identifiability actionable in the real-world scenarios, we take a complementary view: in the general settings where full identifiability is unattainable, what can still be recovered with guarantees, and what biases could be universally adopted? We introduce the problem of diverse dictionary learning to formalize this view. Specifically, we show that intersections, complements, and symmetric differences of latent variables linked to arbitrary observations, along with the latent-to-observed dependency structure, are still identifiable up to appropriate indeterminacies even without strong assumptions. These set-theoretic results can be composed using set algebra to construct structured and essential views of the hidden world, such as genus-differentia definitions. When sufficient structural diversity is present, they further imply full identifiability of all latent variables. Notably, all identifiability benefits follow from a simple inductive bias during estimation that can be readily integrated into most models. We validate the theory and demonstrate the benefits of the bias on both synthetic and real-world data.

The technique of data augmentation (DA) is often used in machine learning for regularization purposes to better generalize under i.i.d. settings. In this work, we present a unifying framework with topics in causal inference to make a case for the use of DA beyond just the i.i.d. setting, but for generalization across interventions as well. Specifically, we argue that when the outcome generating mechanism is invariant to our choice of DA, then such augmentations can effectively be thought of as interventions on the treatment generating mechanism itself. This can potentially help to reduce bias in causal effect estimation arising from hidden confounders. In the presence of such unobserved confounding we typically make use of instrumental variables (IVs) -- sources of treatment randomization that are conditionally independent of the outcome. However, IVs may not be as readily available as DA for many applications, which is the main motivation behind this work. By appropriately regularizing IV based estimators, we introduce the concept of IV-like (IVL) regression for mitigating confounding bias and improving predictive performance across interventions even when certain IV properties are relaxed. Finally, we cast parameterized DA as an IVL regression problem and show that when used in composition can simulate a worst-case application of such DA, further improving performance on causal estimation and generalization tasks beyond what simple DA may offer. This is shown both theoretically for the population case and via simulation experiments for the finite sample case using a simple linear example. We also present real data experiments to support our case.

Recent interest in human-AI interactions in agent-based modeling and simulation (ABMS) has grown rapidly due to the widespread utilization of large language models (LLMs). ABMS is an intelligent approach that simulates autonomous agents' behaviors within a defined environment to research emergent phenomena. Integrating LLMs into ABMS enables natural language interaction between humans and models. Meanwhile, it introduces new challenges that rely on human interaction to address. Human involvement can assist ABMS in adapting to flexible and complex research demands. However, systematic reviews of interactions that examine how humans and AI interact in ABMS are lacking. In this paper, we investigate existing works and propose a novel taxonomy to categorize the interactions derived from them. Specifically, human users refer to researchers who utilize ABMS tools to conduct their studies in our survey. We decompose interactions into five dimensions: the goals that users want to achieve (Why), the phases that users are involved (When), the components of the system (What), the roles of users (Who), and the means of interactions (How). Our analysis summarizes the findings that reveal existing interaction patterns. They provide researchers who develop interactions with comprehensive guidance on how humans and AI interact. We further discuss the unexplored interactions and suggest future research directions.

Recommendation systems (RS) aim to provide personalized content, but they face a challenge in unbiased learning due to selection bias, where users only interact with items they prefer. This bias leads to a distorted representation of user preferences, which hinders the accuracy and fairness of recommendations. To address the issue, various methods such as error imputation based, inverse propensity scoring, and doubly robust techniques have been developed. Despite the progress, from the structural causal model perspective, previous debiasing methods in RS assume the independence of the exogenous variables. In this paper, we release this assumption and propose a learning algorithm based on likelihood maximization to learn a prediction model. We first discuss the correlation and difference between unmeasured confounding and our scenario, then we propose a unified method that effectively handles latent exogenous variables. Specifically, our method models the data generation process with latent exogenous variables under mild normality assumptions. We then develop a Monte Carlo algorithm to numerically estimate the likelihood function. Extensive experiments on synthetic datasets and three real-world datasets demonstrate the effectiveness of our proposed method. The code is at https://github.com/WallaceSUI/kdd25-background-variable.

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

Unintended bias in Machine Learning can manifest as systemic differences in performance for different demographic groups, potentially compounding existing challenges to fairness in society at large. In this paper, we introduce a suite of threshold-agnostic metrics that provide a nuanced view of this unintended bias, by considering the various ways that a classifier's score distribution can vary across designated groups. We also introduce a large new test set of online comments with crowd-sourced annotations for identity references. We use this to show how our metrics can be used to find new and potentially subtle unintended bias in existing public models.

Estimating causal effect using machine learning (ML) algorithms can help to relax functional form assumptions if used within appropriate frameworks. However, most of these frameworks assume settings with cross-sectional data, whereas researchers often have access to panel data, which in traditional methods helps to deal with unobserved heterogeneity between units. In this paper, we explore how we can adapt double/debiased machine learning (DML) (Chernozhukov et al., 2018) for panel data in the presence of unobserved heterogeneity. This adaptation is challenging because DML's cross-fitting procedure assumes independent data and the unobserved heterogeneity is not necessarily additively separable in settings with nonlinear observed confounding. We assess the performance of several intuitively appealing estimators in a variety of simulations. While we find violations of the cross-fitting assumptions to be largely inconsequential for the accuracy of the effect estimates, many of the considered methods fail to adequately account for the presence of unobserved heterogeneity. However, we find that using predictive models based on the correlated random effects approach (Mundlak, 1978) within DML leads to accurate coefficient estimates across settings, given a sample size that is large relative to the number of observed confounders. We also show that the influence of the unobserved heterogeneity on the observed confounders plays a significant role for the performance of most alternative methods.

Modern recommender systems powered by Graph Neural Networks (GNNs) excel at modeling complex user-item interactions, yet increasingly face scenarios requiring selective forgetting of training data. Beyond user requests to remove specific interactions due to privacy concerns or preference changes, regulatory frameworks mandate recommender systems' ability to eliminate the influence of certain user data from models. This recommendation unlearning challenge presents unique difficulties as removing connections within interaction graphs creates ripple effects throughout the model, potentially impacting recommendations for numerous users. Traditional approaches suffer from significant drawbacks: fragmentation methods damage graph structure and diminish performance, while influence function techniques make assumptions that may not hold in complex GNNs, particularly with self-supervised or random architectures. To address these limitations, we propose a novel model-agnostic pre-training paradigm UnlearnRec that prepares systems for efficient unlearning operations. Our Influence Encoder takes unlearning requests together with existing model parameters and directly produces updated parameters of unlearned model with little fine-tuning, avoiding complete retraining while preserving model performance characteristics. Extensive evaluation on public benchmarks demonstrates that our method delivers exceptional unlearning effectiveness while providing more than 10x speedup compared to retraining approaches. We release our method implementation at: https://github.com/HKUDS/UnlearnRec.

This paper studies the challenging problem of estimating causal effects from observational data, in the presence of unobserved confounders. The two-stage least square (TSLS) method and its variants with a standard instrumental variable (IV) are commonly used to eliminate confounding bias, including the bias caused by unobserved confounders, but they rely on the linearity assumption. Besides, the strict condition of unconfounded instruments posed on a standard IV is too strong to be practical. To address these challenging and practical problems of the standard IV method (linearity assumption and the strict condition), in this paper, we use a conditional IV (CIV) to relax the unconfounded instrument condition of standard IV and propose a non-linear CIV regression with Confounding Balancing Representation Learning, CBRL.CIV, for jointly eliminating the confounding bias from unobserved confounders and balancing the observed confounders, without the linearity assumption. We theoretically demonstrate the soundness of CBRL.CIV. Extensive experiments on synthetic and two real-world datasets show the competitive performance of CBRL.CIV against state-of-the-art IV-based estimators and superiority in dealing with the non-linear situation.

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

This article presents Individual Conditional Expectation (ICE) plots, a tool for visualizing the model estimated by any supervised learning algorithm. Classical partial dependence plots (PDPs) help visualize the average partial relationship between the predicted response and one or more features. In the presence of substantial interaction effects, the partial response relationship can be heterogeneous. Thus, an average curve, such as the PDP, can obfuscate the complexity of the modeled relationship. Accordingly, ICE plots refine the partial dependence plot by graphing the functional relationship between the predicted response and the feature for individual observations. Specifically, ICE plots highlight the variation in the fitted values across the range of a covariate, suggesting where and to what extent heterogeneities might exist. In addition to providing a plotting suite for exploratory analysis, we include a visual test for additive structure in the data generating model. Through simulated examples and real data sets, we demonstrate how ICE plots can shed light on estimated models in ways PDPs cannot. Procedures outlined are available in the R package ICEbox.

Recommender systems widely use implicit feedback such as click data because of its general availability. Although the presence of clicks signals the users' preference to some extent, the lack of such clicks does not necessarily indicate a negative response from the users, as it is possible that the users were not exposed to the items (positive-unlabeled problem). This leads to a difficulty in predicting the users' preferences from implicit feedback. Previous studies addressed the positive-unlabeled problem by uniformly upweighting the loss for the positive feedback data or estimating the confidence of each data having relevance information via the EM-algorithm. However, these methods failed to address the missing-not-at-random problem in which popular or frequently recommended items are more likely to be clicked than other items even if a user does not have a considerable interest in them. To overcome these limitations, we first define an ideal loss function to be optimized to realize recommendations that maximize the relevance and propose an unbiased estimator for the ideal loss. Subsequently, we analyze the variance of the proposed unbiased estimator and further propose a clipped estimator that includes the unbiased estimator as a special case. We demonstrate that the clipped estimator is expected to improve the performance of the recommender system, by considering the bias-variance trade-off. We conduct semi-synthetic and real-world experiments and demonstrate that the proposed method largely outperforms the baselines. In particular, the proposed method works better for rare items that are less frequently observed in the training data. The findings indicate that the proposed method can better achieve the objective of recommending items with the highest relevance.

Pre-trained models have revolutionized natural language understanding. However, researchers have found they can encode artifacts undesired in many applications, such as professions correlating with one gender more than another. We explore such gendered correlations as a case study for how to address unintended correlations in pre-trained models. We define metrics and reveal that it is possible for models with similar accuracy to encode correlations at very different rates. We show how measured correlations can be reduced with general-purpose techniques, and highlight the trade offs different strategies have. With these results, we make recommendations for training robust models: (1) carefully evaluate unintended correlations, (2) be mindful of seemingly innocuous configuration differences, and (3) focus on general mitigations.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

Instrumental variable methods have been widely used to identify causal effects in the presence of unmeasured confounding. A key identification condition known as the exclusion restriction states that the instrument cannot have a direct effect on the outcome which is not mediated by the exposure in view. In the health and social sciences, such an assumption is often not credible. To address this concern, we consider identification conditions of the population average treatment effect with an invalid instrumental variable which does not satisfy the exclusion restriction, and derive the efficient influence function targeting the identifying functional under a nonparametric observed data model. We propose a novel multiply robust locally efficient estimator of the average treatment effect that is consistent in the union of multiple parametric nuisance models, as well as a multiply debiased machine learning estimator for which the nuisance parameters are estimated using generic machine learning methods, that effectively exploit various forms of linear or nonlinear structured sparsity in the nuisance parameter space. When one cannot be confident that any of these machine learners is consistent at sufficiently fast rates to ensure n-consistency for the average treatment effect, we introduce a new criteria for selective machine learning which leverages the multiple robustness property in order to ensure small bias. The proposed methods are illustrated through extensive simulations and a data analysis evaluating the causal effect of 401(k) participation on savings.

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

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

We explore machine unlearning (MU) in the domain of large language models (LLMs), referred to as LLM unlearning. This initiative aims to eliminate undesirable data influence (e.g., sensitive or illegal information) and the associated model capabilities, while maintaining the integrity of essential knowledge generation and not affecting causally unrelated information. We envision LLM unlearning becoming a pivotal element in the life-cycle management of LLMs, potentially standing as an essential foundation for developing generative AI that is not only safe, secure, and trustworthy, but also resource-efficient without the need of full retraining. We navigate the unlearning landscape in LLMs from conceptual formulation, methodologies, metrics, and applications. In particular, we highlight the often-overlooked aspects of existing LLM unlearning research, e.g., unlearning scope, data-model interaction, and multifaceted efficacy assessment. We also draw connections between LLM unlearning and related areas such as model editing, influence functions, model explanation, adversarial training, and reinforcement learning. Furthermore, we outline an effective assessment framework for LLM unlearning and explore its applications in copyright and privacy safeguards and sociotechnical harm reduction.

Direct Preference Optimization (DPO) and its variants are increasingly used for aligning language models with human preferences. Although these methods are designed to teach a model to generate preferred responses more frequently relative to dispreferred responses, prior work has observed that the likelihood of preferred responses often decreases during training. The current work sheds light on the causes and implications of this counter-intuitive phenomenon, which we term likelihood displacement. We demonstrate that likelihood displacement can be catastrophic, shifting probability mass from preferred responses to responses with an opposite meaning. As a simple example, training a model to prefer No over Never can sharply increase the probability of Yes. Moreover, when aligning the model to refuse unsafe prompts, we show that such displacement can unintentionally lead to unalignment, by shifting probability mass from preferred refusal responses to harmful responses (e.g., reducing the refusal rate of Llama-3-8B-Instruct from 74.4% to 33.4%). We theoretically characterize that likelihood displacement is driven by preferences that induce similar embeddings, as measured by a centered hidden embedding similarity (CHES) score. Empirically, the CHES score enables identifying which training samples contribute most to likelihood displacement in a given dataset. Filtering out these samples effectively mitigated unintentional unalignment in our experiments. More broadly, our results highlight the importance of curating data with sufficiently distinct preferences, for which we believe the CHES score may prove valuable.

For observational studies, we study the sensitivity of causal inference when treatment assignments may depend on unobserved confounders. We develop a loss minimization approach for estimating bounds on the conditional average treatment effect (CATE) when unobserved confounders have a bounded effect on the odds ratio of treatment selection. Our approach is scalable and allows flexible use of model classes in estimation, including nonparametric and black-box machine learning methods. Based on these bounds for the CATE, we propose a sensitivity analysis for the average treatment effect (ATE). Our semi-parametric estimator extends/bounds the augmented inverse propensity weighted (AIPW) estimator for the ATE under bounded unobserved confounding. By constructing a Neyman orthogonal score, our estimator of the bound for the ATE is a regular root-n estimator so long as the nuisance parameters are estimated at the o_p(n^{-1/4}) rate. We complement our methodology with optimality results showing that our proposed bounds are tight in certain cases. We demonstrate our method on simulated and real data examples, and show accurate coverage of our confidence intervals in practical finite sample regimes with rich covariate information.

An unaddressed challenge in multi-agent coordination is to enable AI agents to exploit the semantic relationships between the features of actions and the features of observations. Humans take advantage of these relationships in highly intuitive ways. For instance, in the absence of a shared language, we might point to the object we desire or hold up our fingers to indicate how many objects we want. To address this challenge, we investigate the effect of network architecture on the propensity of learning algorithms to exploit these semantic relationships. Across a procedurally generated coordination task, we find that attention-based architectures that jointly process a featurized representation of observations and actions have a better inductive bias for learning intuitive policies. Through fine-grained evaluation and scenario analysis, we show that the resulting policies are human-interpretable. Moreover, such agents coordinate with people without training on any human data.

Interactive segmentation enables users to segment as needed by providing cues of objects, which introduces human-computer interaction for many fields, such as image editing and medical image analysis. Typically, massive and expansive pixel-level annotations are spent to train deep models by object-oriented interactions with manually labeled object masks. In this work, we reveal that informative interactions can be made by simulation with semantic-consistent yet diverse region exploration in an unsupervised paradigm. Concretely, we introduce a Multi-granularity Interaction Simulation (MIS) approach to open up a promising direction for unsupervised interactive segmentation. Drawing on the high-quality dense features produced by recent self-supervised models, we propose to gradually merge patches or regions with similar features to form more extensive regions and thus, every merged region serves as a semantic-meaningful multi-granularity proposal. By randomly sampling these proposals and simulating possible interactions based on them, we provide meaningful interaction at multiple granularities to teach the model to understand interactions. Our MIS significantly outperforms non-deep learning unsupervised methods and is even comparable with some previous deep-supervised methods without any annotation.

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

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.

Our interest is in the design of software systems involving a human-expert interacting -- using natural language -- with a large language model (LLM) on data analysis tasks. For complex problems, it is possible that LLMs can harness human expertise and creativity to find solutions that were otherwise elusive. On one level, this interaction takes place through multiple turns of prompts from the human and responses from the LLM. Here we investigate a more structured approach based on an abstract protocol described in [3] for interaction between agents. The protocol is motivated by a notion of "two-way intelligibility" and is modelled by a pair of communicating finite-state machines. We provide an implementation of the protocol, and provide empirical evidence of using the implementation to mediate interactions between an LLM and a human-agent in two areas of scientific interest (radiology and drug design). We conduct controlled experiments with a human proxy (a database), and uncontrolled experiments with human subjects. The results provide evidence in support of the protocol's capability of capturing one- and two-way intelligibility in human-LLM interaction; and for the utility of two-way intelligibility in the design of human-machine systems. Our code is available at https://github.com/karannb/interact.

We develop a data-driven information-theoretic framework for sharp partial identification of causal effects under unmeasured confounding. Existing approaches often rely on restrictive assumptions, such as bounded or discrete outcomes; require external inputs (for example, instrumental variables, proxies, or user-specified sensitivity parameters); necessitate full structural causal model specifications; or focus solely on population-level averages while neglecting covariate-conditional effects. We overcome all four limitations simultaneously by establishing novel information-theoretic, data-driven divergence bounds. Our key theoretical contribution shows that the f-divergence between the observational distribution P(Y | A = a, X = x) and the interventional distribution P(Y | do(A = a), X = x) is upper bounded by a function of the propensity score alone. This result enables sharp partial identification of conditional causal effects directly from observational data, without requiring external sensitivity parameters, auxiliary variables, full structural specifications, or outcome boundedness assumptions. For practical implementation, we develop a semiparametric estimator satisfying Neyman orthogonality (Chernozhukov et al., 2018), which ensures root-n consistent inference even when nuisance functions are estimated via flexible machine learning methods. Simulation studies and real-world data applications, implemented in the GitHub repository (https://github.com/yonghanjung/Information-Theretic-Bounds), demonstrate that our framework provides tight and valid causal bounds across a wide range of data-generating processes.

Human biases impact the way people analyze data and make decisions. Recent work has shown that some visualization designs can better support cognitive processes and mitigate cognitive biases (i.e., errors that occur due to the use of mental "shortcuts"). In this work, we explore how visualizing a user's interaction history (i.e., which data points and attributes a user has interacted with) can be used to mitigate potential biases that drive decision making by promoting conscious reflection of one's analysis process. Given an interactive scatterplot-based visualization tool, we showed interaction history in real-time while exploring data (by coloring points in the scatterplot that the user has interacted with), and in a summative format after a decision has been made (by comparing the distribution of user interactions to the underlying distribution of the data). We conducted a series of in-lab experiments and a crowd-sourced experiment to evaluate the effectiveness of interaction history interventions toward mitigating bias. We contextualized this work in a political scenario in which participants were instructed to choose a committee of 10 fictitious politicians to review a recent bill passed in the U.S. state of Georgia banning abortion after 6 weeks, where things like gender bias or political party bias may drive one's analysis process. We demonstrate the generalizability of this approach by evaluating a second decision making scenario related to movies. Our results are inconclusive for the effectiveness of interaction history (henceforth referred to as interaction traces) toward mitigating biased decision making. However, we find some mixed support that interaction traces, particularly in a summative format, can increase awareness of potential unconscious biases.

An essential and challenging problem in causal inference is causal effect estimation from observational data. The problem becomes more difficult with the presence of unobserved confounding variables. The front-door adjustment is a practical approach for dealing with unobserved confounding variables. However, the restriction for the standard front-door adjustment is difficult to satisfy in practice. In this paper, we relax some of the restrictions by proposing the concept of conditional front-door (CFD) adjustment and develop the theorem that guarantees the causal effect identifiability of CFD adjustment. Furthermore, as it is often impossible for a CFD variable to be given in practice, it is desirable to learn it from data. By leveraging the ability of deep generative models, we propose CFDiVAE to learn the representation of the CFD adjustment variable directly from data with the identifiable Variational AutoEncoder and formally prove the model identifiability. Extensive experiments on synthetic datasets validate the effectiveness of CFDiVAE and its superiority over existing methods. The experiments also show that the performance of CFDiVAE is less sensitive to the causal strength of unobserved confounding variables. We further apply CFDiVAE to a real-world dataset to demonstrate its potential application.

Recent research shows that Large Language Models (LLMs) exhibit a compelling level of proficiency in Theory of Mind (ToM) tasks. This ability to impute unobservable mental states to others is vital to human social cognition and may prove equally important in principal-agent relations between individual humans and Artificial Intelligences (AIs). In this paper, we explore how a mechanism studied in developmental psychology known as Violation of Expectation (VoE) can be implemented to reduce errors in LLM prediction about users by leveraging emergent ToM affordances. And we introduce a metacognitive prompting framework to apply VoE in the context of an AI tutor. By storing and retrieving facts derived in cases where LLM expectation about the user was violated, we find that LLMs are able to learn about users in ways that echo theories of human learning. Finally, we discuss latent hazards and augmentative opportunities associated with modeling user psychology and propose ways to mitigate risk along with possible directions for future inquiry.

Interpretability research on large language models (LLMs) has yielded important insights into model behaviour, yet recurring pitfalls persist: findings that do not generalise, and causal interpretations that outrun the evidence. Our position is that causal inference specifies what constitutes a valid mapping from model activations to invariant high-level structures, the data or assumptions needed to achieve it, and the inferences it can support. Specifically, Pearl's causal hierarchy clarifies what an interpretability study can justify. Observations establish associations between model behaviour and internal components. Interventions (e.g., ablations or activation patching) support claims how these edits affect a behavioural metric (e.g., average change in token probabilities) over a set of prompts. However, counterfactual claims -- i.e., asking what the model output would have been for the same prompt under an unobserved intervention -- remain largely unverifiable without controlled supervision. We show how causal representation learning (CRL) operationalises this hierarchy, specifying which variables are recoverable from activations and under what assumptions. Together, these motivate a diagnostic framework that helps practitioners select methods and evaluations matching claims to evidence such that findings generalise.

We develop a tractable identification approach for strategic network formation models with both strategic link interdependence and individual unobserved heterogeneity (fixed effects). The key challenge is that endogenous network statistics (e.g. number of common friends) enter the link formation equation, while the mapping from model primitives to equilibrium network structure is generally intractable. Our approach sidesteps this difficulty using a ``bounding-by-c'' technique that treats endogenous covariates as random variables and exploits monotonicity restrictions to obtain identifying information. A central contribution is to develop a spectrum of fixed-effects handling strategies based on subnetwork configurations: tetrad-based restrictions that difference out all individual fixed effects, triad-based and weighted restrictions that combine ``difference-out'' and ``integrate-out'' steps by differencing out some fixed effects and profiling over the remainder conditional on observed characteristics, and general weighted cycle-based restrictions that unify these cases. We also provide point identification results. Preliminary simulations show that the approach can deliver informative bounds on the structural parameters.

Sequential Recommenders generate recommendations based on users' historical interaction sequences. However, in practice, these collected sequences are often contaminated by noisy interactions, which significantly impairs recommendation performance. Accurately identifying such noisy interactions without additional information is particularly challenging due to the absence of explicit supervisory signals indicating noise. Large Language Models (LLMs), equipped with extensive open knowledge and semantic reasoning abilities, offer a promising avenue to bridge this information gap. However, employing LLMs for denoising in sequential recommendation presents notable challenges: 1) Direct application of pretrained LLMs may not be competent for the denoising task, frequently generating nonsensical responses; 2) Even after fine-tuning, the reliability of LLM outputs remains questionable, especially given the complexity of the denoising task and the inherent hallucinatory issue of LLMs. To tackle these challenges, we propose LLM4DSR, a tailored approach for denoising sequential recommendation using LLMs. We constructed a self-supervised fine-tuning task to activate LLMs' capabilities to identify noisy items and suggest replacements. Furthermore, we developed an uncertainty estimation module that ensures only high-confidence responses are utilized for sequence corrections. Remarkably, LLM4DSR is model-agnostic, allowing corrected sequences to be flexibly applied across various recommendation models. Extensive experiments validate the superiority of LLM4DSR over existing methods.

Understanding and manipulating the causal generation mechanisms in language models is essential for controlling their behavior. Previous work has primarily relied on techniques such as representation surgery -- e.g., model ablations or manipulation of linear subspaces tied to specific concepts -- to intervene on these models. To understand the impact of interventions precisely, it is useful to examine counterfactuals -- e.g., how a given sentence would have appeared had it been generated by the model following a specific intervention. We highlight that counterfactual reasoning is conceptually distinct from interventions, as articulated in Pearl's causal hierarchy. Based on this observation, we propose a framework for generating true string counterfactuals by reformulating language models as Generalized Structural-equation. Models using the Gumbel-max trick. This allows us to model the joint distribution over original strings and their counterfactuals resulting from the same instantiation of the sampling noise. We develop an algorithm based on hindsight Gumbel sampling that allows us to infer the latent noise variables and generate counterfactuals of observed strings. Our experiments demonstrate that the approach produces meaningful counterfactuals while at the same time showing that commonly used intervention techniques have considerable undesired side effects.

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

Large Language Models (LLMs) have demonstrated a powerful ability for text generation. However, achieving optimal results with a given prompt or instruction can be challenging, especially for billion-sized models. Additionally, undesired behaviors such as toxicity or hallucinations can manifest. While much larger models (e.g., ChatGPT) may demonstrate strength in mitigating these issues, there is still no guarantee of complete prevention. In this work, we propose formalizing text generation as a future-constrained generation problem to minimize undesirable behaviors and enforce faithfulness to instructions. The estimation of future constraint satisfaction, accomplished using LLMs, guides the text generation process. Our extensive experiments demonstrate the effectiveness of the proposed approach across three distinct text generation tasks: keyword-constrained generation (Lin et al., 2020), toxicity reduction (Gehman et al., 2020), and factual correctness in question-answering (Gao et al., 2023).

Large language models (LLMs) are frequently fine-tuned or unlearned to adapt to new tasks or eliminate undesirable behaviors. While existing evaluation methods assess performance after such interventions, there remains no general approach for detecting unintended side effects, such as unlearning biology content degrading performance on chemistry tasks, particularly when these effects are unpredictable or emergent. To address this issue, we introduce MNEME, Model diffiNg for Evaluating Mechanistic Effects, a lightweight framework for identifying these side effects using sparse model diffing. MNEME compares base and fine-tuned models on task-agnostic data (for example, The Pile, LMSYS-Chat-1M) without access to fine-tuning data to isolate behavioral shifts. Applied to five LLMs across three scenarios: WMDP knowledge unlearning, emergent misalignment, and benign fine-tuning, MNEME achieves up to 95 percent accuracy in predicting side effects, aligning with known benchmarks and requiring no custom heuristics. Furthermore, we show that retraining on high-activation samples can partially reverse these effects. Our results demonstrate that sparse probing and diffing offer a scalable and automated lens into fine-tuning-induced model changes, providing practical tools for understanding and managing LLM behavior.

Targeted interventions on language models, such as unlearning, debiasing, or model editing, are a central method for refining model behavior and keeping knowledge up to date. While these interventions aim to modify specific information within models (e.g., removing virology content), their effects often propagate to related but unintended areas (e.g., allergies); these side-effects are commonly referred to as the ripple effect. In this work, we present RippleBench-Maker, an automatic tool for generating Q&A datasets that allow for the measurement of ripple effects in any model-editing task. RippleBench-Maker builds on a Wikipedia-based RAG pipeline (WikiRAG) to generate multiple-choice questions at varying semantic distances from the target concept (e.g., the knowledge being unlearned). Using this framework, we construct RippleBench-Bio, a benchmark derived from the WMDP (Weapons of Mass Destruction Paper) dataset, a common unlearning benchmark. We evaluate eight state-of-the-art unlearning methods and find that all exhibit non-trivial accuracy drops on topics increasingly distant from the unlearned knowledge, each with distinct propagation profiles. To support ongoing research, we release our codebase for on-the-fly ripple evaluation, along with the benchmark, RippleBench-Bio.

Users of music streaming, video streaming, news recommendation, and e-commerce services often engage with content in a sequential manner. Providing and evaluating good sequences of recommendations is therefore a central problem for these services. Prior reweighting-based counterfactual evaluation methods either suffer from high variance or make strong independence assumptions about rewards. We propose a new counterfactual estimator that allows for sequential interactions in the rewards with lower variance in an asymptotically unbiased manner. Our method uses graphical assumptions about the causal relationships of the slate to reweight the rewards in the logging policy in a way that approximates the expected sum of rewards under the target policy. Extensive experiments in simulation and on a live recommender system show that our approach outperforms existing methods in terms of bias and data efficiency for the sequential track recommendations problem.

Natural Language Explanations (NLEs) describe how Large Language Models (LLMs) make decisions, drawing on both external Context Knowledge (CK) and Parametric Knowledge (PK) stored in model weights. Understanding their interaction is key to assessing the grounding of NLEs, yet it remains underexplored. Prior work has largely examined only single-step generation, typically the final answer, and has modelled PK and CK interaction only as a binary choice in a rank-1 subspace. This overlooks richer forms of interaction, such as complementary or supportive knowledge. We propose a novel rank-2 projection subspace that disentangles PK and CK contributions more accurately and use it for the first multi-step analysis of knowledge interactions across longer NLE sequences. Experiments on four QA datasets and three open-weight instruction-tuned LLMs show that diverse knowledge interactions are poorly represented in a rank-1 subspace but are effectively captured in our rank-2 formulation. Our multi-step analysis reveals that hallucinated NLEs align strongly with the PK direction, context-faithful ones balance PK and CK, and Chain-of-Thought prompting for NLEs shifts generated NLEs toward CK by reducing PK reliance. This work provides the first framework for systematic studies of multi-step knowledge interactions in LLMs through a richer rank-2 subspace disentanglement. Code and data: https://github.com/copenlu/pk-ck-knowledge-disentanglement.

Interactions between humans are diverse and context-dependent, but previous works have treated them as categorical, disregarding the heavy tail of possible interactions. We propose a new paradigm of learning human-human interactions as free text from a single still image, allowing for flexibility in modeling the unlimited space of situations and relationships between people. To overcome the absence of data labelled specifically for this task, we use knowledge distillation applied to synthetic caption data produced by a large language model without explicit supervision. We show that the pseudo-labels produced by this procedure can be used to train a captioning model to effectively understand human-human interactions in images, as measured by a variety of metrics that measure textual and semantic faithfulness and factual groundedness of our predictions. We further show that our approach outperforms SOTA image captioning and situation recognition models on this task. We will release our code and pseudo-labels along with Waldo and Wenda, a manually-curated test set for still image human-human interaction understanding.

Recent work has demonstrated that controlled pretraining experiments are a powerful tool for understanding learning, reasoning, and memorization in large language models (LLMs). However, the computational cost of pretraining presents a significant constraint. To overcome this constraint, we propose to conduct multiple pretraining experiments simultaneously during a single training run. We demonstrate the feasibility of this approach by conducting ten experiments during the training of a 1.5B parameter model on 210B tokens. Although we only train a single model, we can replicate the results from multiple previous works on data contamination, poisoning, and memorization. We also conduct novel investigations into knowledge acquisition, mathematical reasoning, and watermarking. For example, we dynamically update the training data until the model acquires a particular piece of knowledge. Remarkably, the influence of the ten experiments on the model's training dynamics and overall performance is minimal. However, interactions between different experiments may act as a potential confounder in our approach. We propose to test for interactions with continual pretraining experiments, finding them to be negligible in our setup. Overall, our findings suggest that performing multiple pretraining experiments in a single training run can enable rigorous scientific experimentation with large models on a compute budget.

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

Deep learning models have achieved remarkable success in different areas of machine learning over the past decade; however, the size and complexity of these models make them difficult to understand. In an effort to make them more interpretable, several recent works focus on explaining parts of a deep neural network through human-interpretable, semantic attributes. However, it may be impossible to completely explain complex models using only semantic attributes. In this work, we propose to augment these attributes with a small set of uninterpretable features. Specifically, we develop a novel explanation framework ELUDE (Explanation via Labelled and Unlabelled DEcomposition) that decomposes a model's prediction into two parts: one that is explainable through a linear combination of the semantic attributes, and another that is dependent on the set of uninterpretable features. By identifying the latter, we are able to analyze the "unexplained" portion of the model, obtaining insights into the information used by the model. We show that the set of unlabelled features can generalize to multiple models trained with the same feature space and compare our work to two popular attribute-oriented methods, Interpretable Basis Decomposition and Concept Bottleneck, and discuss the additional insights ELUDE provides.

Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result -- a neural-network-based inference machine -- remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is grounded in a faithful recovered causal mechanism. Each episode places an agent in a synthetic laboratory: it receives prior measurement records, intervenes on a manipulator crystal, and predicts the resonance frequency of a held-out reactor crystal governed by the same mechanism. The hidden data-generating process is a randomly sampled structural causal model (SCM), so success requires recovering both a causal graph and structural equations rather than recalling prior knowledge. Experiments show a persistent gap between prediction and mechanism recovery: in the purely observational 6-node setting, GPT-5.2-high reaches 92% task accuracy but only 0.471 all-edge F_1. Mixed observation-intervention strategies improve structural fidelity, while pure intervention remains difficult even for strong agents. We identify premature stopping as a major weakness and show that consistency verification mitigates it. CausaLab therefore separates predictive success from causal understanding and exposes current LLM agents' limits as experimental causal reasoners.

Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few studies have been conducted to investigate heterogeneous causal effects (HCEs) in graphical contexts due to the lack of statistical methods. To characterize this heterogeneity, we first conceptualize heterogeneous causal graphs (HCGs) by generalizing the causal graphical model with confounder-based interactions and multiple mediators. Such confounders with an interaction with the treatment are known as moderators. This allows us to flexibly produce HCGs given different moderators and explicitly characterize HCEs from the treatment or potential mediators on the outcome. We establish the theoretical forms of HCEs and derive their properties at the individual level in both linear and nonlinear models. An interactive structural learning is developed to estimate the complex HCGs and HCEs with confidence intervals provided. Our method is empirically justified by extensive simulations and its practical usefulness is illustrated by exploring causality among psychiatric disorders for trauma survivors.

Machine unlearning aims to remove the influence of specific training data from pre-trained models without retraining from scratch, and is increasingly important for large language models (LLMs) due to safety, privacy, and legal concerns. Although prior work primarily evaluates unlearning in static, single-turn settings, forgetting robustness under realistic interactive use remains underexplored. In this paper, we study whether unlearning remains stable in interactive environments by examining two common interaction patterns: self-correction and dialogue-conditioned querying. We find that knowledge appearing forgotten in static evaluation can often be recovered through interaction. Although stronger unlearning improves apparent robustness, it often results in behavioral rigidity rather than genuine knowledge erasure. Our findings suggest that static evaluation may overestimate real-world effectiveness and highlight the need for ensuring stable forgetting under interactive settings.

Spurious correlations allow flexible models to predict well during training but poorly on related test distributions. Recent work has shown that models that satisfy particular independencies involving correlation-inducing nuisance variables have guarantees on their test performance. Enforcing such independencies requires nuisances to be observed during training. However, nuisances, such as demographics or image background labels, are often missing. Enforcing independence on just the observed data does not imply independence on the entire population. Here we derive mmd estimators used for invariance objectives under missing nuisances. On simulations and clinical data, optimizing through these estimates achieves test performance similar to using estimators that make use of the full data.

Machine learning provides a powerful tool for building socially compliant robotic systems that go beyond simple predictive models of human behavior. By observing and understanding human interactions from past experiences, learning can enable effective social navigation behaviors directly from data. In this paper, our goal is to develop methods for training policies for socially unobtrusive navigation, such that robots can navigate among humans in ways that don't disturb human behavior. We introduce a definition for such behavior based on the counterfactual perturbation of the human: if the robot had not intruded into the space, would the human have acted in the same way? By minimizing this counterfactual perturbation, we can induce robots to behave in ways that do not alter the natural behavior of humans in the shared space. Instantiating this principle requires training policies to minimize their effect on human behavior, and this in turn requires data that allows us to model the behavior of humans in the presence of robots. Therefore, our approach is based on two key contributions. First, we collect a large dataset where an indoor mobile robot interacts with human bystanders. Second, we utilize this dataset to train policies that minimize counterfactual perturbation. We provide supplementary videos and make publicly available the largest-of-its-kind visual navigation dataset on our project page.

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

The recent success of machine learning models, especially large-scale classifiers and language models, relies heavily on training with massive data. These data are often collected from online sources. This raises serious concerns about the protection of user data, as individuals may not have given consent for their data to be used in training. To address this concern, recent studies introduce the concept of unlearnable examples, i.e., data instances that appear natural but are intentionally altered to prevent models from effectively learning from them. While existing methods demonstrate empirical effectiveness, they typically rely on heuristic trials and lack formal guarantees. Besides, when unlearnable examples are mixed with clean data, as is often the case in practice, their unlearnability disappears. In this work, we propose a novel approach to constructing unlearnable examples by systematically maximising the Bayes error, a measurement of irreducible classification error. We develop an optimisation-based approach and provide an efficient solution using projected gradient ascent. Our method provably increases the Bayes error and remains effective when the unlearning examples are mixed with clean samples. Experimental results across multiple datasets and model architectures are consistent with our theoretical analysis and show that our approach can restrict data learnability, effectively in practice.

Cyberbullying is a widespread adverse phenomenon among online social interactions in today's digital society. While numerous computational studies focus on enhancing the cyberbullying detection performance of machine learning algorithms, proposed models tend to carry and reinforce unintended social biases. In this study, we try to answer the research question of "Can we mitigate the unintended bias of cyberbullying detection models by guiding the model training with fairness constraints?". For this purpose, we propose a model training scheme that can employ fairness constraints and validate our approach with different datasets. We demonstrate that various types of unintended biases can be successfully mitigated without impairing the model quality. We believe our work contributes to the pursuit of unbiased, transparent, and ethical machine learning solutions for cyber-social health.

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.

Learning from unstructured and uncurated data has become the dominant paradigm for generative approaches in language and vision. Such unstructured and unguided behavior data, commonly known as play, is also easier to collect in robotics but much more difficult to learn from due to its inherently multimodal, noisy, and suboptimal nature. In this paper, we study this problem of learning goal-directed skill policies from unstructured play data which is labeled with language in hindsight. Specifically, we leverage advances in diffusion models to learn a multi-task diffusion model to extract robotic skills from play data. Using a conditional denoising diffusion process in the space of states and actions, we can gracefully handle the complexity and multimodality of play data and generate diverse and interesting robot behaviors. To make diffusion models more useful for skill learning, we encourage robotic agents to acquire a vocabulary of skills by introducing discrete bottlenecks into the conditional behavior generation process. In our experiments, we demonstrate the effectiveness of our approach across a wide variety of environments in both simulation and the real world. Results visualizations and videos at https://play-fusion.github.io

Diffusion models are a powerful class of generative models which simulate stochastic differential equations (SDEs) to generate data from noise. While diffusion models have achieved remarkable progress, they have limitations in unpaired image-to-image (I2I) translation tasks due to the Gaussian prior assumption. Schr\"{o}dinger Bridge (SB), which learns an SDE to translate between two arbitrary distributions, have risen as an attractive solution to this problem. Yet, to our best knowledge, none of SB models so far have been successful at unpaired translation between high-resolution images. In this work, we propose Unpaired Neural Schr\"{o}dinger Bridge (UNSB), which expresses the SB problem as a sequence of adversarial learning problems. This allows us to incorporate advanced discriminators and regularization to learn a SB between unpaired data. We show that UNSB is scalable and successfully solves various unpaired I2I translation tasks. Code: https://github.com/cyclomon/UNSB

We study subliminal learning, a surprising phenomenon where language models transmit behavioral traits via semantically unrelated data. In our main experiments, a "teacher" model with some trait T (such as liking owls or being misaligned) generates a dataset consisting solely of number sequences. Remarkably, a "student" model trained on this dataset learns T. This occurs even when the data is filtered to remove references to T. We observe the same effect when training on code or reasoning traces generated by the same teacher model. However, we do not observe the effect when the teacher and student have different base models. To help explain our findings, we prove a theoretical result showing that subliminal learning occurs in all neural networks under certain conditions, and demonstrate subliminal learning in a simple MLP classifier. We conclude that subliminal learning is a general phenomenon that presents an unexpected pitfall for AI development. Distillation could propagate unintended traits, even when developers try to prevent this via data filtering.

As humans increasingly rely on multiround conversational AI for high stakes decisions, principled frameworks are needed to ensure such interactions reliably improve decision quality. We adopt a human centric view governed by two principles: counterfactual harm, ensuring the AI does not undermine human strengths, and complementarity, ensuring it adds value where the human is prone to err. We formalize these concepts via user defined rules, allowing users to specify exactly what harm and complementarity mean for their specific task. We then introduce an online, distribution free algorithm with finite sample guarantees that enforces the user-specified constraints over the collaboration dynamics. We evaluate our framework across two interactive settings: LLM simulated collaboration on a medical diagnostic task and a human crowdsourcing study on a pictorial reasoning task. We show that our online procedure maintains prescribed counterfactual harm and complementarity violation rates even under nonstationary interaction dynamics. Moreover, tightening or loosening these constraints produces predictable shifts in downstream human accuracy, confirming that the two principles serve as practical levers for steering multi-round collaboration toward better decision quality without the need to model or constrain human behavior.

In machine learning, generative modeling aims to learn to generate new data statistically similar to the training data distribution. In this paper, we survey learning generative models under limited data, few shots and zero shot, referred to as Generative Modeling under Data Constraint (GM-DC). This is an important topic when data acquisition is challenging, e.g. healthcare applications. We discuss background, challenges, and propose two taxonomies: one on GM-DC tasks and another on GM-DC approaches. Importantly, we study interactions between different GM-DC tasks and approaches. Furthermore, we highlight research gaps, research trends, and potential avenues for future exploration. Project website: https://gmdc-survey.github.io.

Although computer-use agents (CUAs) hold significant potential to automate increasingly complex OS workflows, they can demonstrate unsafe unintended behaviors that deviate from expected outcomes even under benign input contexts. However, exploration of this risk remains largely anecdotal, lacking concrete characterization and automated methods to proactively surface long-tail unintended behaviors under realistic CUA scenarios. To fill this gap, we introduce the first conceptual and methodological framework for unintended CUA behaviors, by defining their key characteristics, automatically eliciting them, and analyzing how they arise from benign inputs. We propose AutoElicit: an agentic framework that iteratively perturbs benign instructions using CUA execution feedback, and elicits severe harms while keeping perturbations realistic and benign. Using AutoElicit, we surface hundreds of harmful unintended behaviors from state-of-the-art CUAs such as Claude 4.5 Haiku and Opus. We further evaluate the transferability of human-verified successful perturbations, identifying persistent susceptibility to unintended behaviors across various other frontier CUAs. This work establishes a foundation for systematically analyzing unintended behaviors in realistic computer-use settings.

Deep research agents powered by Large Language Models (LLMs) can perform multi-step reasoning, web exploration, and long-form report generation. However, most existing systems operate in an autonomous manner, assuming fully specified user intent and evaluating only final outputs. In practice, research goals are often underspecified and evolve during exploration, making sustained interaction essential for robust alignment. Despite its importance, interaction remains largely invisible to existing deep research benchmarks, which neither model dynamic user feedback nor quantify its costs. We introduce IDRBench, the first benchmark for systematically evaluating interactive deep research. IDRBench combines a modular multi-agent research framework with on-demand interaction, a scalable reference-grounded user simulator, and an interaction-aware evaluation suite that jointly measures interaction benefits (quality and alignment) and costs (turns and tokens). Experiments across seven state-of-the-art LLMs show that interaction consistently improves research quality and robustness, often outweighing differences in model capacity, while revealing substantial trade-offs in interaction efficiency.

Instrumental variable (IV) methods are used to estimate causal effects in settings with unobserved confounding, where we cannot directly experiment on the treatment variable. Instruments are variables which only affect the outcome indirectly via the treatment variable(s). Most IV applications focus on low-dimensional treatments and crucially require at least as many instruments as treatments. This assumption is restrictive: in the natural sciences we often seek to infer causal effects of high-dimensional treatments (e.g., the effect of gene expressions or microbiota on health and disease), but can only run few experiments with a limited number of instruments (e.g., drugs or antibiotics). In such underspecified problems, the full treatment effect is not identifiable in a single experiment even in the linear case. We show that one can still reliably recover the projection of the treatment effect onto the instrumented subspace and develop techniques to consistently combine such partial estimates from different sets of instruments. We then leverage our combined estimators in an algorithm that iteratively proposes the most informative instruments at each round of experimentation to maximize the overall information about the full causal effect.

We formalize constraint-based structure learning of the "true" causal graph from observed data when unobserved variables are also existent. We provide conditions for a "natural" family of constraint-based structure-learning algorithms that output graphs that are Markov equivalent to the causal graph. Under the faithfulness assumption, this natural family contains all exact structure-learning algorithms. We also provide a set of assumptions, under which any natural structure-learning algorithm outputs Markov equivalent graphs to the causal graph. These assumptions can be thought of as a relaxation of faithfulness, and most of them can be directly tested from (the underlying distribution) of the data, particularly when one focuses on structural causal models. We specialize the definitions and results for structural causal models.

Many problems in machine learning are naturally expressed in the language of undirected graphical models. Here, we propose black-box learning and inference algorithms for undirected models that optimize a variational approximation to the log-likelihood of the model. Central to our approach is an upper bound on the log-partition function parametrized by a function q that we express as a flexible neural network. Our bound makes it possible to track the partition function during learning, to speed-up sampling, and to train a broad class of hybrid directed/undirected models via a unified variational inference framework. We empirically demonstrate the effectiveness of our method on several popular generative modeling datasets.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and potentially accelerate biomedical discovery. In this paper, we present a comprehensive evaluation of LLMs as biomedical hypothesis generators. We construct a dataset of background-hypothesis pairs from biomedical literature, carefully partitioned into training, seen, and unseen test sets based on publication date to mitigate data contamination. Using this dataset, we assess the hypothesis generation capabilities of top-tier instructed models in zero-shot, few-shot, and fine-tuning settings. To enhance the exploration of uncertainty, a crucial aspect of scientific discovery, we incorporate tool use and multi-agent interactions in our evaluation framework. Furthermore, we propose four novel metrics grounded in extensive literature review to evaluate the quality of generated hypotheses, considering both LLM-based and human assessments. Our experiments yield two key findings: 1) LLMs can generate novel and validated hypotheses, even when tested on literature unseen during training, and 2) Increasing uncertainty through multi-agent interactions and tool use can facilitate diverse candidate generation and improve zero-shot hypothesis generation performance. However, we also observe that the integration of additional knowledge through few-shot learning and tool use may not always lead to performance gains, highlighting the need for careful consideration of the type and scope of external knowledge incorporated. These findings underscore the potential of LLMs as powerful aids in biomedical hypothesis generation and provide valuable insights to guide further research in this area.

People often optimize for long-term goals in collaboration: A mentor or companion doesn't just answer questions, but also scaffolds learning, tracks progress, and prioritizes the other person's growth over immediate results. In contrast, current AI systems are fundamentally short-sighted collaborators - optimized for providing instant and complete responses, without ever saying no (unless for safety reasons). What are the consequences of this dynamic? Here, through a series of randomized controlled trials on human-AI interactions (N = 1,222), we provide causal evidence for two key consequences of AI assistance: reduced persistence and impairment of unassisted performance. Across a variety of tasks, including mathematical reasoning and reading comprehension, we find that although AI assistance improves performance in the short-term, people perform significantly worse without AI and are more likely to give up. Notably, these effects emerge after only brief interactions with AI (approximately 10 minutes). These findings are particularly concerning because persistence is foundational to skill acquisition and is one of the strongest predictors of long-term learning. We posit that persistence is reduced because AI conditions people to expect immediate answers, thereby denying them the experience of working through challenges on their own. These results suggest the need for AI model development to prioritize scaffolding long-term competence alongside immediate task completion.

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.

Generative AI agents equate understanding with resolving explicit queries, an assumption that confines interaction to what users can articulate. This assumption breaks down when users themselves lack awareness of what is missing, risky, or worth considering. In such conditions, proactivity is not merely an efficiency enhancement, but an epistemic necessity. We refer to this condition as epistemic incompleteness: where progress depends on engaging with unknown unknowns for effective partnership. Existing approaches to proactivity remain narrowly anticipatory, extrapolating from past behavior and presuming that goals are already well defined, thereby failing to support users meaningfully. However, surfacing possibilities beyond a user's current awareness is not inherently beneficial. Unconstrained proactive interventions can misdirect attention, overwhelm users, or introduce harm. Proactive agents, therefore, require behavioral grounding: principled constraints on when, how, and to what extent an agent should intervene. We advance the position that generative proactivity must be grounded both epistemically and behaviorally. Drawing on the philosophy of ignorance and research on proactive behavior, we argue that these theories offer critical guidance for designing agents that can engage responsibly and foster meaningful partnerships.

Systems of interacting objects often evolve under the influence of field effects that govern their dynamics, yet previous works have abstracted away from such effects, and assume that systems evolve in a vacuum. In this work, we focus on discovering these fields, and infer them from the observed dynamics alone, without directly observing them. We theorize the presence of latent force fields, and propose neural fields to learn them. Since the observed dynamics constitute the net effect of local object interactions and global field effects, recently popularized equivariant networks are inapplicable, as they fail to capture global information. To address this, we propose to disentangle local object interactions -- which are SE(n) equivariant and depend on relative states -- from external global field effects -- which depend on absolute states. We model interactions with equivariant graph networks, and combine them with neural fields in a novel graph network that integrates field forces. Our experiments show that we can accurately discover the underlying fields in charged particles settings, traffic scenes, and gravitational n-body problems, and effectively use them to learn the system and forecast future trajectories.

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

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

When AI systems explain their reasoning step-by-step, practitioners often assume these explanations reveal what actually influenced the AI's answer. We tested this assumption by embedding hints into questions and measuring whether models mentioned them. In a study of over 9,000 test cases across 11 leading AI models, we found a troubling pattern: models almost never mention hints spontaneously, yet when asked directly, they admit noticing them. This suggests models see influential information but choose not to report it. Telling models they are being watched does not help. Forcing models to report hints works, but causes them to report hints even when none exist and reduces their accuracy. We also found that hints appealing to user preferences are especially dangerous-models follow them most often while reporting them least. These findings suggest that simply watching AI reasoning is not enough to catch hidden influences.

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

Counterfactual data augmentation has recently emerged as a method to mitigate confounding biases in the training data for a machine learning model. These biases, such as spurious correlations, arise due to various observed and unobserved confounding variables in the data generation process. In this paper, we formally analyze how confounding biases impact downstream classifiers and present a causal viewpoint to the solutions based on counterfactual data augmentation. We explore how removing confounding biases serves as a means to learn invariant features, ultimately aiding in generalization beyond the observed data distribution. Additionally, we present a straightforward yet powerful algorithm for generating counterfactual images, which effectively mitigates the influence of confounding effects on downstream classifiers. Through experiments on MNIST variants and the CelebA datasets, we demonstrate the effectiveness and practicality of our approach.

We study the problem of model selection in causal inference, specifically for the case of conditional average treatment effect (CATE) estimation under binary treatments. Unlike model selection in machine learning, there is no perfect analogue of cross-validation as we do not observe the counterfactual potential outcome for any data point. Towards this, there have been a variety of proxy metrics proposed in the literature, that depend on auxiliary nuisance models estimated from the observed data (propensity score model, outcome regression model). However, the effectiveness of these metrics has only been studied on synthetic datasets as we can access the counterfactual data for them. We conduct an extensive empirical analysis to judge the performance of these metrics introduced in the literature, and novel ones introduced in this work, where we utilize the latest advances in generative modeling to incorporate multiple realistic datasets. Our analysis suggests novel model selection strategies based on careful hyperparameter tuning of CATE estimators and causal ensembling.

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.

Machine unlearning aims to unlearn data points from a learned model, offering a principled way to process data-deletion requests and mitigate privacy risks without full retraining. Prior work has mainly studied unsupervised / supervised machine unlearning, leaving unlearning for sequential decision-making systems far less understood. We initiate the first study of a foundational sequential decision-making problem: offline stochastic multi-armed bandits (MAB). We formalize the privacy constraint for offline MAB and measure utility by the post-unlearning decision quality. We conduct a systematic study of both single- and multi-source unlearning scenarios under two data-generation models, the fixed-sample model and the distribution model. For these settings, our algorithmic design is built on two canonical base algorithms: Gaussian mechanism and rollback, and we propose adaptive algorithms that switch between them according to the data regime and privacy constraint. We further introduce a mixing procedure that elucidates the rationale behind these baselines. We provide performance guarantees across the above settings and establish lower bounds under both dataset models. Experiments validate the predicted tradeoffs and demonstrate the effectiveness of the proposed methods.

Natural language has long enabled human cooperation, but its lossy, ambiguous, and indirect nature limits the potential of collective intelligence. While machines are not subject to these constraints, most LLM-based multi-agent systems still rely solely on natural language, exchanging tokens or their embeddings. To go beyond language, we introduce a new paradigm, thought communication, which enables agents to interact directly mind-to-mind, akin to telepathy. To uncover these latent thoughts in a principled way, we formalize the process as a general latent variable model, where agent states are generated by an unknown function of underlying thoughts. We prove that, in a nonparametric setting without auxiliary information, both shared and private latent thoughts between any pair of agents can be identified. Moreover, the global structure of thought sharing, including which agents share which thoughts and how these relationships are structured, can also be recovered with theoretical guarantees. Guided by the established theory, we develop a framework that extracts latent thoughts from all agents prior to communication and assigns each agent the relevant thoughts, along with their sharing patterns. This paradigm naturally extends beyond LLMs to all modalities, as most observational data arise from hidden generative processes. Experiments on both synthetic and real-world benchmarks validate the theory and demonstrate the collaborative advantages of thought communication. We hope this work illuminates the potential of leveraging the hidden world, as many challenges remain unsolvable through surface-level observation alone, regardless of compute or data scale.

Machine unlearning aims to remove the influence of specific training data from a model without requiring full retraining. This capability is crucial for ensuring privacy, safety, and regulatory compliance. Therefore, verifying whether a model has truly forgotten target data is essential for maintaining reliability and trustworthiness. However, existing evaluation methods often assess forgetting at the level of individual inputs. This approach may overlook residual influence present in semantically similar examples. Such influence can compromise privacy and lead to indirect information leakage. We propose REMIND (Residual Memorization In Neighborhood Dynamics), a novel evaluation method aiming to detect the subtle remaining influence of unlearned data and classify whether the data has been effectively forgotten. REMIND analyzes the model's loss over small input variations and reveals patterns unnoticed by single-point evaluations. We show that unlearned data yield flatter, less steep loss landscapes, while retained or unrelated data exhibit sharper, more volatile patterns. REMIND requires only query-based access, outperforms existing methods under similar constraints, and demonstrates robustness across different models, datasets, and paraphrased inputs, making it practical for real-world deployment. By providing a more sensitive and interpretable measure of unlearning effectiveness, REMIND provides a reliable framework to assess unlearning in language models. As a result, REMIND offers a novel perspective on memorization and unlearning.

Large Language Models (LLMs) can acquire unintended biases from seemingly benign training data even without explicit cues or malicious content. Existing methods struggle to detect such risks before fine-tuning, making post hoc evaluation costly and inefficient. To address this challenge, we introduce Data2Behavior, a new task for predicting unintended model behaviors prior to training. We also propose Manipulating Data Features (MDF), a lightweight approach that summarizes candidate data through their mean representations and injects them into the forward pass of a base model, allowing latent statistical signals in the data to shape model activations and reveal potential biases and safety risks without updating any parameters. MDF achieves reliable prediction while consuming only about 20% of the GPU resources required for fine-tuning. Experiments on Qwen3-14B, Qwen2.5-32B-Instruct, and Gemma-3-12b-it confirm that MDF can anticipate unintended behaviors and provide insight into pre-training vulnerabilities.

Friendship and rapport play an important role in the formation of constructive social interactions, and have been widely studied in educational settings due to their impact on student outcomes. Given the growing interest in automating the analysis of such phenomena through Machine Learning (ML), access to annotated interaction datasets is highly valuable. However, no dataset on dyadic child-child interactions explicitly capturing rapport currently exists. Moreover, despite advances in the automatic analysis of human behaviour, no previous work has addressed the prediction of rapport in child-child dyadic interactions in educational settings. We present UpStory -- the Uppsala Storytelling dataset: a novel dataset of naturalistic dyadic interactions between primary school aged children, with an experimental manipulation of rapport. Pairs of children aged 8-10 participate in a task-oriented activity: designing a story together, while being allowed free movement within the play area. We promote balanced collection of different levels of rapport by using a within-subjects design: self-reported friendships are used to pair each child twice, either minimizing or maximizing pair separation in the friendship network. The dataset contains data for 35 pairs, totalling 3h 40m of audio and video recordings. It includes two video sources covering the play area, as well as separate voice recordings for each child. An anonymized version of the dataset is made publicly available, containing per-frame head pose, body pose, and face features; as well as per-pair information, including the level of rapport. Finally, we provide ML baselines for the prediction of rapport.

Multitask Gaussian process (MTGP) is powerful for joint learning of multiple tasks with complicated correlation patterns. However, due to the assembling of additive independent latent functions, all current MTGPs including the salient linear model of coregionalization (LMC) and convolution frameworks cannot effectively represent and learn the hierarchical latent interactions between its latent functions. In this paper, we further investigate the interactions in LMC of MTGP and then propose a novel kernel representation of the hierarchical interactions, which ameliorates both the expressiveness and the interpretability of MTGP. Specifically, we express the interaction as a product of function interaction and coefficient interaction. The function interaction is modeled by using cross convolution of latent functions. The coefficient interaction between the LMCs is described as a cross coregionalization term. We validate that considering the interactions can promote knowledge transferring in MTGP and compare our approach with some state-of-the-art MTGPs on both synthetic- and real-world datasets.

Being able to provide explanations for a model's decision has become a central requirement for the development, deployment, and adoption of machine learning models. However, we are yet to understand what explanation methods can and cannot do. How do upstream factors such as data, model prediction, hyperparameters, and random initialization influence downstream explanations? While previous work raised concerns that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we study the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors, i.e., on hyperparameters and inputs used to generate saliency-based Es or Ys. Our results suggest that the relationships between E and Y is far from ideal. In fact, the gap between 'ideal' case only increase in higher-performing models -- models that are likely to be deployed. Our work is a promising first step towards providing a quantitative measure of the relationship between E and Y, which could also inform the future development of methods for E with a quantitative metric.

We introduce Bayesian Poisson Tucker decomposition (BPTD) for modeling country--country interaction event data. These data consist of interaction events of the form "country i took action a toward country j at time t." BPTD discovers overlapping country--community memberships, including the number of latent communities. In addition, it discovers directed community--community interaction networks that are specific to "topics" of action types and temporal "regimes." We show that BPTD yields an efficient MCMC inference algorithm and achieves better predictive performance than related models. We also demonstrate that it discovers interpretable latent structure that agrees with our knowledge of international relations.

Uplift modeling, vital in online marketing, seeks to accurately measure the impact of various strategies, such as coupons or discounts, on different users by predicting the Individual Treatment Effect (ITE). In an e-commerce setting, user behavior follows a defined sequential chain, including impression, click, and conversion. Marketing strategies exert varied uplift effects at each stage within this chain, impacting metrics like click-through and conversion rate. Despite its utility, existing research has neglected to consider the inter-task across all stages impacts within a specific treatment and has insufficiently utilized the treatment information, potentially introducing substantial bias into subsequent marketing decisions. We identify these two issues as the chain-bias problem and the treatment-unadaptive problem. This paper introduces the Entire Chain UPlift method with context-enhanced learning (ECUP), devised to tackle these issues. ECUP consists of two primary components: 1) the Entire Chain-Enhanced Network, which utilizes user behavior patterns to estimate ITE throughout the entire chain space, models the various impacts of treatments on each task, and integrates task prior information to enhance context awareness across all stages, capturing the impact of treatment on different tasks, and 2) the Treatment-Enhanced Network, which facilitates fine-grained treatment modeling through bit-level feature interactions, thereby enabling adaptive feature adjustment. Extensive experiments on public and industrial datasets validate ECUPs effectiveness. Moreover, ECUP has been deployed on the Meituan food delivery platform, serving millions of daily active users, with the related dataset released for future research.

Recent advances in large language models (LLMs) have opened new opportunities for recommender systems by enabling rich semantic understanding and reasoning about user interests and item attributes. However, as privacy regulations tighten, incorporating user data into LLM-based recommendation (LLMRec) introduces significant privacy risks, making unlearning algorithms increasingly crucial for practical deployment. Despite growing interest in LLMRec unlearning, most existing approaches formulate unlearning as a weighted combination of forgetting and retaining objectives while updating model parameters in a uniform manner. Such formulations inevitably induce gradient conflicts between the two objectives, leading to unstable optimization and resulting in either ineffective unlearning or severe degradation of model utility. Moreover, the unlearning procedure remains largely black-box, undermining its transparency and trustworthiness. To tackle these challenges, we propose CURE, a circuit-aware unlearning framework that disentangles model components into functionally distinct subsets and selectively updates them. Here, a circuit refers to a computational subgraph that is causally responsible for task-specific behaviors. Specifically, we extract the core circuits underlying item recommendation and analyze how individual modules within these circuits contribute to the forget and retain objectives. Based on this analysis, these modules are categorized into forget-specific, retain-specific, and task-shared groups, each subject to function-specific update rules to mitigate gradient conflicts during unlearning. Experiments on real-world datasets show that our approach achieves more effective unlearning than existing baselines.

A large part of the literature on learning disentangled representations focuses on variational autoencoders (VAE). Recent developments demonstrate that disentanglement cannot be obtained in a fully unsupervised setting without inductive biases on models and data. However, Khemakhem et al., AISTATS, 2020 suggest that employing a particular form of factorized prior, conditionally dependent on auxiliary variables complementing input observations, can be one such bias, resulting in an identifiable model with guarantees on disentanglement. Working along this line, we propose a novel VAE-based generative model with theoretical guarantees on identifiability. We obtain our conditional prior over the latents by learning an optimal representation, which imposes an additional strength on their regularization. We also extend our method to semi-supervised settings. Experimental results indicate superior performance with respect to state-of-the-art approaches, according to several established metrics proposed in the literature on disentanglement.

Exact unlearning was first introduced as a privacy mechanism that allowed a user to retract their data from machine learning models on request. Shortly after, inexact schemes were proposed to mitigate the impractical costs associated with exact unlearning. More recently unlearning is often discussed as an approach for removal of impermissible knowledge i.e. knowledge that the model should not possess such as unlicensed copyrighted, inaccurate, or malicious information. The promise is that if the model does not have a certain malicious capability, then it cannot be used for the associated malicious purpose. In this paper we revisit the paradigm in which unlearning is used for in Large Language Models (LLMs) and highlight an underlying inconsistency arising from in-context learning. Unlearning can be an effective control mechanism for the training phase, yet it does not prevent the model from performing an impermissible act during inference. We introduce a concept of ununlearning, where unlearned knowledge gets reintroduced in-context, effectively rendering the model capable of behaving as if it knows the forgotten knowledge. As a result, we argue that content filtering for impermissible knowledge will be required and even exact unlearning schemes are not enough for effective content regulation. We discuss feasibility of ununlearning for modern LLMs and examine broader implications.

Owing to the growing concerns about privacy and regulatory compliance, it is desirable to regulate the output of generative models. To that end, the objective of this work is to prevent the generation of outputs containing undesired features from a pre-trained Generative Adversarial Network (GAN) where the underlying training data set is inaccessible. Our approach is inspired by the observation that the parameter space of GANs exhibits meaningful directions that can be leveraged to suppress specific undesired features. However, such directions usually result in the degradation of the quality of generated samples. Our proposed two-stage method, known as 'Adapt-then-Unlearn,' excels at unlearning such undesirable features while also maintaining the quality of generated samples. In the initial stage, we adapt a pre-trained GAN on a set of negative samples (containing undesired features) provided by the user. Subsequently, we train the original pre-trained GAN using positive samples, along with a repulsion regularizer. This regularizer encourages the learned model parameters to move away from the parameters of the adapted model (first stage) while not degrading the generation quality. We provide theoretical insights into the proposed method. To the best of our knowledge, our approach stands as the first method addressing unlearning within the realm of high-fidelity GANs (such as StyleGAN). We validate the effectiveness of our method through comprehensive experiments, encompassing both class-level unlearning on the MNIST and AFHQ dataset and feature-level unlearning tasks on the CelebA-HQ dataset. Our code and implementation is available at: https://github.com/atriguha/Adapt_Unlearn.

In this paper, we tackle the problem of discovering new classes in unlabeled visual data given labeled data from disjoint classes. Existing methods typically first pre-train a model with labeled data, and then identify new classes in unlabeled data via unsupervised clustering. However, the labeled data that provide essential knowledge are often underexplored in the second step. The challenge is that the labeled and unlabeled examples are from non-overlapping classes, which makes it difficult to build the learning relationship between them. In this work, we introduce OpenMix to mix the unlabeled examples from an open set and the labeled examples from known classes, where their non-overlapping labels and pseudo-labels are simultaneously mixed into a joint label distribution. OpenMix dynamically compounds examples in two ways. First, we produce mixed training images by incorporating labeled examples with unlabeled examples. With the benefits of unique prior knowledge in novel class discovery, the generated pseudo-labels will be more credible than the original unlabeled predictions. As a result, OpenMix helps to prevent the model from overfitting on unlabeled samples that may be assigned with wrong pseudo-labels. Second, the first way encourages the unlabeled examples with high class-probabilities to have considerable accuracy. We introduce these examples as reliable anchors and further integrate them with unlabeled samples. This enables us to generate more combinations in unlabeled examples and exploit finer object relations among the new classes. Experiments on three classification datasets demonstrate the effectiveness of the proposed OpenMix, which is superior to state-of-the-art methods in novel class discovery.

Constructing prediction sets with coverage guarantees for unobserved outcomes is a core problem in modern statistics. Methods for predictive inference have been developed for a wide range of settings, but usually only consider test data points one at a time. Here we study the problem of distribution-free predictive inference for a batch of multiple test points, aiming to construct prediction sets for functions -- such as the mean or median -- of any number of unobserved test datapoints. This setting includes constructing simultaneous prediction sets with a high probability of coverage, and selecting datapoints satisfying a specified condition while controlling the number of false claims. For the general task of predictive inference on a function of a batch of test points, we introduce a methodology called batch predictive inference (batch PI), and provide a distribution-free coverage guarantee under exchangeability of the calibration and test data. Batch PI requires the quantiles of a rank ordering function defined on certain subsets of ranks. While computing these quantiles is NP-hard in general, we show that it can be done efficiently in many cases of interest, most notably for batch score functions with a compositional structure -- which includes examples of interest such as the mean -- via a dynamic programming algorithm that we develop. Batch PI has advantages over naive approaches (such as partitioning the calibration data or directly extending conformal prediction) in many settings, as it can deliver informative prediction sets even using small calibration sample sizes. We illustrate that our procedures provide informative inference across the use cases mentioned above, through experiments on both simulated data and a drug-target interaction dataset.

User data spread across multiple modalities has popularized multi-modal recommender systems (MMRS). They recommend diverse content such as products, social media posts, TikTok reels, etc., based on a user-item interaction graph. With rising data privacy demands, recent methods propose unlearning private user data from uni-modal recommender systems (RS). However, methods for unlearning item data related to outdated user preferences, revoked licenses, and legally requested removals are still largely unexplored. Previous RS unlearning methods are unsuitable for MMRS due to the incompatibility of their matrix-based representation with the multi-modal user-item interaction graph. Moreover, their data partitioning step degrades performance on each shard due to poor data heterogeneity and requires costly performance aggregation across shards. This paper introduces MMRecUn, the first approach known to us for unlearning in MMRS and unlearning item data. Given a trained RS model, MMRecUn employs a novel Reverse Bayesian Personalized Ranking (BPR) objective to enable the model to forget marked data. The reverse BPR attenuates the impact of user-item interactions within the forget set, while the forward BPR reinforces the significance of user-item interactions within the retain set. Our experiments demonstrate that MMRecUn outperforms baseline methods across various unlearning requests when evaluated on benchmark MMRS datasets. MMRecUn achieves recall performance improvements of up to 49.85% compared to baseline methods and is up to 1.3x faster than the Gold model, which is trained on retain set from scratch. MMRecUn offers significant advantages, including superiority in removing target interactions, preserving retained interactions, and zero overhead costs compared to previous methods. Code: https://github.com/MachineUnlearn/MMRecUN Extended version: arXiv:2405.15328

The training of contemporary deep learning models heavily relies on publicly available data, posing a risk of unauthorized access to online data and raising concerns about data privacy. Current approaches to creating unlearnable data involve incorporating small, specially designed noises, but these methods strictly limit data usability, overlooking its potential usage in authorized scenarios. In this paper, we extend the concept of unlearnable data to conditional data learnability and introduce UnGeneralizable Examples (UGEs). UGEs exhibit learnability for authorized users while maintaining unlearnability for potential hackers. The protector defines the authorized network and optimizes UGEs to match the gradients of the original data and its ungeneralizable version, ensuring learnability. To prevent unauthorized learning, UGEs are trained by maximizing a designated distance loss in a common feature space. Additionally, to further safeguard the authorized side from potential attacks, we introduce additional undistillation optimization. Experimental results on multiple datasets and various networks demonstrate that the proposed UGEs framework preserves data usability while reducing training performance on hacker networks, even under different types of attacks.

We study the problem of learning in zero-sum matrix games with repeated play and bandit feedback. Specifically, we focus on developing uncoupled algorithms that guarantee, without communication between players, the convergence of the last-iterate to a Nash equilibrium. Although the non-bandit case has been studied extensively, this setting has only been explored recently, with a bound of O(T^{-1/8}) on the exploitability gap. We show that, for uncoupled algorithms, guaranteeing convergence of the policy profiles to a Nash equilibrium is detrimental to the performance, with the best attainable rate being Ω(T^{-1/4}) in contrast to the usual Ω(T^{-1/2}) rate for convergence of the average iterates. We then propose two algorithms that achieve this optimal rate up to constant and logarithmic factors. The first algorithm leverages a straightforward trade-off between exploration and exploitation, while the second employs a regularization technique based on a two-step mirror descent approach.

We study improving social conversational agents by learning from natural dialogue between users and a deployed model, without extra annotations. To implicitly measure the quality of a machine-generated utterance, we leverage signals like user response length, sentiment and reaction of the future human utterances in the collected dialogue episodes. Our experiments use the publicly released deployment data from BlenderBot (Xu et al., 2023). Human evaluation indicates improvements in our new models over baseline responses; however, we find that some proxy signals can lead to more generations with undesirable properties as well. For example, optimizing for conversation length can lead to more controversial or unfriendly generations compared to the baseline, whereas optimizing for positive sentiment or reaction can decrease these behaviors.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

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.

Recent studies show that graph neural networks (GNNs) are prevalent to model high-order relationships for collaborative filtering (CF). Towards this research line, graph contrastive learning (GCL) has exhibited powerful performance in addressing the supervision label shortage issue by learning augmented user and item representations. While many of them show their effectiveness, two key questions still remain unexplored: i) Most existing GCL-based CF models are still limited by ignoring the fact that user-item interaction behaviors are often driven by diverse latent intent factors (e.g., shopping for family party, preferred color or brand of products); ii) Their introduced non-adaptive augmentation techniques are vulnerable to noisy information, which raises concerns about the model's robustness and the risk of incorporating misleading self-supervised signals. In light of these limitations, we propose a Disentangled Contrastive Collaborative Filtering framework (DCCF) to realize intent disentanglement with self-supervised augmentation in an adaptive fashion. With the learned disentangled representations with global context, our DCCF is able to not only distill finer-grained latent factors from the entangled self-supervision signals but also alleviate the augmentation-induced noise. Finally, the cross-view contrastive learning task is introduced to enable adaptive augmentation with our parameterized interaction mask generator. Experiments on various public datasets demonstrate the superiority of our method compared to existing solutions. Our model implementation is released at the link https://github.com/HKUDS/DCCF.

Large Language Models (LLMs) often provide chain-of-thought (CoT) reasoning traces that appear plausible, but may hide internal biases. We call these *unverbalized biases*. Monitoring models via their stated reasoning is therefore unreliable, and existing bias evaluations typically require predefined categories and hand-crafted datasets. In this work, we introduce a fully automated, black-box pipeline for detecting task-specific unverbalized biases. Given a task dataset, the pipeline uses LLM autoraters to generate candidate bias concepts. It then tests each concept on progressively larger input samples by generating positive and negative variations, and applies statistical techniques for multiple testing and early stopping. A concept is flagged as an unverbalized bias if it yields statistically significant performance differences while not being cited as justification in the model's CoTs. We evaluate our pipeline across six LLMs on three decision tasks (hiring, loan approval, and university admissions). Our technique automatically discovers previously unknown biases in these models (e.g., Spanish fluency, English proficiency, writing formality). In the same run, the pipeline also validates biases that were manually identified by prior work (gender, race, religion, ethnicity). More broadly, our proposed approach provides a practical, scalable path to automatic task-specific bias discovery.

Machine learning-based unfolding has enabled unbinned and high-dimensional differential cross section measurements. Two main approaches have emerged in this research area: one based on discriminative models and one based on generative models. The main advantage of discriminative models is that they learn a small correction to a starting simulation while generative models scale better to regions of phase space with little data. We propose to use Schroedinger Bridges and diffusion models to create SBUnfold, an unfolding approach that combines the strengths of both discriminative and generative models. The key feature of SBUnfold is that its generative model maps one set of events into another without having to go through a known probability density as is the case for normalizing flows and standard diffusion models. We show that SBUnfold achieves excellent performance compared to state of the art methods on a synthetic Z+jets dataset.

Large language models are being widely used across industries to generate content that contributes directly to key performance metrics, such as conversion rates. Pretrained models, however, often fall short when it comes to aligning with human preferences or optimizing for business objectives. As a result, fine-tuning with good-quality labeled data is essential to guide models to generate content that achieves better results. Controlled experiments, like A/B tests, can provide such data, but they are often expensive and come with significant engineering and logistical challenges. Meanwhile, companies have access to a vast amount of historical (observational) data that remains underutilized. In this work, we study the challenges and opportunities of fine-tuning LLMs using observational data. We show that while observational outcomes can provide valuable supervision, directly fine-tuning models on such data can lead them to learn spurious correlations. We present empirical evidence of this issue using various real-world datasets and propose DeconfoundLM, a method that explicitly removes the effect of known confounders from reward signals. Using simulation experiments, we demonstrate that DeconfoundLM improves the recovery of causal relationships and mitigates failure modes found in fine-tuning methods that ignore or naively incorporate confounding variables. Our findings highlight that while observational data presents risks, with the right causal corrections, it can be a powerful source of signal for LLM alignment. Please refer to the project page for code and related resources.

Recent advances in large-scale text-to-image diffusion models have heightened concerns about their potential misuse, especially in generating harmful or misleading content. This underscores the urgent need for effective machine unlearning, i.e., removing specific knowledge or concepts from pretrained models without compromising overall performance. One possible approach is Low-Rank Adaptation (LoRA), which offers an efficient means to fine-tune models for targeted unlearning. However, LoRA often inadvertently alters unrelated content, leading to diminished image fidelity and realism. To address this limitation, we introduce UnGuide -- a novel approach which incorporates UnGuidance, a dynamic inference mechanism that leverages Classifier-Free Guidance (CFG) to exert precise control over the unlearning process. UnGuide modulates the guidance scale based on the stability of a few first steps of denoising processes, enabling selective unlearning by LoRA adapter. For prompts containing the erased concept, the LoRA module predominates and is counterbalanced by the base model; for unrelated prompts, the base model governs generation, preserving content fidelity. Empirical results demonstrate that UnGuide achieves controlled concept removal and retains the expressive power of diffusion models, outperforming existing LoRA-based methods in both object erasure and explicit content removal tasks.

The assumption that response and predictor belong to the same statistical unit may be violated in practice. Unbiased estimation and recovery of true label ordering based on unlabeled data are challenging tasks and have attracted increasing attentions in the recent literature. In this paper, we present a relatively complete analysis of label permutation problem for the generalized linear model with multivariate responses. The theory is established under different scenarios, with knowledge of true parameters, with partial knowledge of underlying label permutation matrix and without any knowledge. Our results remove the stringent conditions required by the current literature and are further extended to the missing observation setting which has never been considered in the field of label permutation problem. On computational side, we propose two methods, "maximum likelihood estimation" algorithm and "two-step estimation" algorithm, to accommodate for different settings. When the proportion of permuted labels is moderate, both methods work effectively. Multiple numerical experiments are provided and corroborate our theoretical findings.

Training modern large language models (LLMs) has become a veritable smorgasbord of algorithms and datasets designed to elicit particular behaviors, making it critical to develop techniques to understand the effects of datasets on the model's properties. This is exacerbated by recent experiments that show datasets can transmit signals that are not directly observable from individual datapoints, posing a conceptual challenge for dataset-centric understandings of LLM training and suggesting a missing fundamental account of such phenomena. Towards understanding such effects, inspired by recent work on the linear structure of LLMs, we uncover a general mechanism through which hidden subtexts can arise in generic datasets. We introduce Logit-Linear-Selection (LLS), a method that prescribes how to select subsets of a generic preference dataset to elicit a wide range of hidden effects. We apply LLS to discover subsets of real-world datasets so that models trained on them exhibit behaviors ranging from having specific preferences, to responding to prompts in a different language not present in the dataset, to taking on a different persona. Crucially, the effect persists for the selected subset, across models with varying architectures, supporting its generality and universality.

An unintended consequence of the vast pretraining of Large Language Models (LLMs) is the verbatim memorization of fragments of their training data, which may contain sensitive or copyrighted information. In recent years, unlearning has emerged as a solution to effectively remove sensitive knowledge from models after training. Yet, recent work has shown that supposedly deleted information can still be extracted by malicious actors through various attacks. Still, current attacks retrieve sets of possible candidate generations and are unable to pinpoint the output that contains the actual target information. We propose activation steering as a method for exact information retrieval from unlearned LLMs. We introduce a novel approach to generating steering vectors, named Anonymized Activation Steering. Additionally, we develop a simple word frequency method to pinpoint the correct answer among a set of candidates when retrieving unlearned information. Our evaluation across multiple unlearning techniques and datasets demonstrates that activation steering successfully recovers general knowledge (e.g., widely known fictional characters) while revealing limitations in retrieving specific information (e.g., details about non-public individuals). Overall, our results demonstrate that exact information retrieval from unlearned models is possible, highlighting a severe vulnerability of current unlearning techniques.

Causal disentanglement seeks a representation of data involving latent variables that relate to one another via a causal model. A representation is identifiable if both the latent model and the transformation from latent to observed variables are unique. In this paper, we study observed variables that are a linear transformation of a linear latent causal model. Data from interventions are necessary for identifiability: if one latent variable is missing an intervention, we show that there exist distinct models that cannot be distinguished. Conversely, we show that a single intervention on each latent variable is sufficient for identifiability. Our proof uses a generalization of the RQ decomposition of a matrix that replaces the usual orthogonal and upper triangular conditions with analogues depending on a partial order on the rows of the matrix, with partial order determined by a latent causal model. We corroborate our theoretical results with a method for causal disentanglement that accurately recovers a latent causal model.

While implicit feedback is foundational to modern recommender systems, factors such as human error, uncertainty, and ambiguity in user behavior inevitably introduce significant noise into this feedback, adversely affecting the accuracy and robustness of recommendations. To address this issue, existing methods typically aim to reduce the training weight of noisy feedback or discard it entirely, based on the observation that noisy interactions often exhibit higher losses in the overall loss distribution. However, we identify two key issues: (1) there is a significant overlap between normal and noisy interactions in the overall loss distribution, and (2) this overlap becomes even more pronounced when transitioning from pointwise loss functions (e.g., BCE loss) to pairwise loss functions (e.g., BPR loss). This overlap leads traditional methods to misclassify noisy interactions as normal, and vice versa. To tackle these challenges, we further investigate the loss overlap and find that for a given user, there is a clear distinction between normal and noisy interactions in the user's personal loss distribution. Based on this insight, we propose a resampling strategy to Denoise using the user's Personal Loss distribution, named PLD, which reduces the probability of noisy interactions being optimized. Specifically, during each optimization iteration, we create a candidate item pool for each user and resample the items from this pool based on the user's personal loss distribution, prioritizing normal interactions. Additionally, we conduct a theoretical analysis to validate PLD's effectiveness and suggest ways to further enhance its performance. Extensive experiments conducted on three datasets with varying noise ratios demonstrate PLD's efficacy and robustness.

Machine unlearning aims to remove sensitive or undesired data from large language models. However, recent studies suggest that unlearning is often shallow, claiming that removed knowledge can easily be recovered. In this work, we critically examine standard unlearning evaluation practices and uncover key limitations that shake our trust in those findings. First, we show that some evaluations introduce substantial new information into the model, potentially masking true unlearning performance by re-teaching the model during testing. Second, we demonstrate that evaluation outcomes vary significantly across tasks, undermining the generalizability of current evaluation routines. Finally, we find that many evaluations rely on spurious correlations, making their results difficult to trust and interpret. Taken together, these issues suggest that current evaluation protocols may both overstate and understate unlearning success. To address this, we propose two principles for future unlearning evaluations: minimal information injection and downstream task awareness. We validate these principles through a series of targeted experiments, showing how violations of each can lead to misleading conclusions.

Networks capture our intuition about relationships in the world. They describe the friendships between Facebook users, interactions in financial markets, and synapses connecting neurons in the brain. These networks are richly structured with cliques of friends, sectors of stocks, and a smorgasbord of cell types that govern how neurons connect. Some networks, like social network friendships, can be directly observed, but in many cases we only have an indirect view of the network through the actions of its constituents and an understanding of how the network mediates that activity. In this work, we focus on the problem of latent network discovery in the case where the observable activity takes the form of a mutually-excitatory point process known as a Hawkes process. We build on previous work that has taken a Bayesian approach to this problem, specifying prior distributions over the latent network structure and a likelihood of observed activity given this network. We extend this work by proposing a discrete-time formulation and developing a computationally efficient stochastic variational inference (SVI) algorithm that allows us to scale the approach to long sequences of observations. We demonstrate our algorithm on the calcium imaging data used in the Chalearn neural connectomics challenge.

Fine-tuning-based unlearning methods prevail for preventing targeted harmful, sensitive, or copyrighted information within large language models while preserving overall capabilities. However, the true effectiveness of these methods is unclear. In this work, we delve into the limitations of fine-tuning-based unlearning through activation patching and parameter restoration experiments. Our findings reveal that these methods alter the model's knowledge retrieval process, providing further evidence that they do not genuinely erase the problematic knowledge embedded in the model parameters. Instead, the coefficients generated by the MLP components in the model's final layer are the primary contributors to these seemingly positive unlearning effects, playing a crucial role in controlling the model's behaviors. Furthermore, behavioral tests demonstrate that this unlearning mechanism inevitably impacts the global behavior of the models, affecting unrelated knowledge or capabilities. The code is released at https://github.com/yihuaihong/Dissecting-FT-Unlearning.

Recent advancements in natural language processing, especially the emergence of Large Language Models (LLMs), have opened exciting possibilities for constructing computational simulations designed to replicate human behavior accurately. However, LLMs are complex statistical learners without straightforward deductive rules, making them prone to unexpected behaviors. In this study, we highlight the limitations of LLMs in simulating human interactions, particularly focusing on LLMs' ability to simulate political debates. Our findings indicate a tendency for LLM agents to conform to the model's inherent social biases despite being directed to debate from certain political perspectives. This tendency results in behavioral patterns that seem to deviate from well-established social dynamics among humans. We reinforce these observations using an automatic self-fine-tuning method, which enables us to manipulate the biases within the LLM and demonstrate that agents subsequently align with the altered biases. These results underscore the need for further research to develop methods that help agents overcome these biases, a critical step toward creating more realistic simulations.