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Optimization · Everything Else

Igor Smit, Yaoxin Wu, Pavel Troubil, Yingqian Zhang, Wim P.M. Nuijten

Neural combinatorial optimization (NCO) has made significant advances in applying deep learning techniques to efficiently and effectively solve single-objective flexible job shop scheduling problems (FJSPs). However, the more practical multi-objective FJSPs (MOFJSPs) remain underexplored, limiting the applicability of NCO in multi-criteria decision-making scenarios. In this paper, we propose a decomposition-based NCO method to solve MOFJSPs. We present the dual conditional attention network (DCAN), a neural network architecture that takes the objective preferences along with the problem instance, aiming to learn adaptable policies over the preferences. By decomposing an MOFJSP into a set of subproblems with different preferences, the learned DCAN policies generate a set of solutions that reflect the corresponding trade-offs. We customize the Proximal Policy Optimization algorithm based on decomposition to effectively train the policy network for multiple objectives and define the state and reward based on combinations of different objectives. Extensive results showcase that our approach outperforms traditional multi-objective optimization methods and generalizes well across diverse types of problem instances.

Deep Learning · Algorithms

Aayush Karan, Yilun Du

Frontier reasoning models have exhibited incredible capabilities across a wide array of disciplines, driven by posttraining large language models (LLMs) with reinforcement learning (RL). However, despite the widespread success of this paradigm, much of the literature has been devoted to disentangling truly novel behaviors that emerge during RL but are not present in the base models. In our work, we approach this question from a different angle, instead asking whether comparable reasoning capabilities can be elicited from base models at inference time by pure sampling, without any additional training. Inspired by Markov chain Monte Carlo (MCMC) techniques for sampling from sharpened distributions, we propose a simple iterative sampling algorithm leveraging the base models' own likelihoods. Over different base models, we show that our algorithm offers substantial boosts in reasoning that nearly match and even outperform those from RL on a wide variety of single-shot tasks, including MATH500, HumanEval, and GPQA. Moreover, our sampler avoids the collapse in diversity over multiple samples that is characteristic of RL-posttraining. Crucially, our method does not require training, curated datasets, or a verifier, suggesting broad applicability beyond easily verifiable domains.

Neil Kale, Chen Bo Calvin Zhang, Kevin Zhu, Ankit Aich, Paula Rodriguez, Christina Knight, Zifan Wang

We stress test monitoring systems for detecting covert misbehavior in LLM agents (e.g., secretly exfiltrating data). We propose a monitor red teaming (MRT) workflow that varies agent and monitor awareness, adversarial evasion strategies, and evaluation across tool-calling (SHADE-Arena) and computer-use (CUA-SHADE-Arena) environments. We benchmark standard monitor scaffoldings and introduce a hybrid hierarchical--sequential design. Our experiments yield three findings. First, agent awareness dominates monitor awareness: agents that know they are monitored substantially degrade detection, while increasing monitor awareness helps less than expected. Second, monitor scaffolding matters: our hybrid design consistently outperforms baselines and enables weaker monitors to oversee stronger agents (a weak-to-strong effect). Third, targeted human oversight is key: escalating only pre-flagged cases improves TPR by 15% at FPR=0.01. Our work positions MRT as a standard workflow for stress-testing oversight, revealing robustness gaps in both LLM- and human-based monitoring. We release code, data, and logs to support further research.

General Machine Learning · Representation Learning

Xiangjian Jiang, Nikola Simidjievski, Mateja Jamnik

Evaluating tabular generators remains a challenging problem, as the unique causal structural prior of heterogeneous tabular data does not lend itself to intuitive human inspection. Recent work has introduced structural fidelity as a tabular-specific evaluation dimension to assess whether synthetic data complies with the causal structures of real data. However, existing benchmarks often neglect the interplay between structural fidelity and conventional evaluation dimensions, thus failing to provide a holistic understanding of model performance. Moreover, they are typically limited to toy datasets, as quantifying existing structural fidelity metrics requires access to ground-truth causal structures, which are rarely available for real-world datasets. In this paper, we propose a novel evaluation framework that jointly considers structural fidelity and conventional evaluation dimensions. We introduce a new evaluation metric, global utility, which enables the assessment of structural fidelity even in the absence of ground-truth causal structures. In addition, we present TabStruct, a comprehensive evaluation benchmark offering large-scale quantitative analysis on 13 tabular generators from nine distinct categories, across 29 datasets. Our results demonstrate that global utility provides a task-independent, domain-agnostic lens for tabular generator performance. We release the TabStruct benchmark suite, including all datasets, evaluation pipelines, and raw results. Code is available at https://github.com/SilenceX12138/TabStruct.

Xiangjun Tang, Biao Zhang, Peter Wonka

Realistic human geometry generation is an important yet challenging task, requiring both the preservation of fine clothing details and the accurate modeling of clothing-body interactions. To tackle this challenge, we build upon Geometry distributions—a recently proposed representation that can model a single human geometry with high fidelity using a flow matching model. However, extending a single-geometry distribution to a dataset is non-trivial and inefficient for large-scale learning. To address this, we propose a new geometry distribution model by two key techniques: (1) encoding distributions as 2D feature maps rather than network parameters, and (2) using SMPL models as the domain instead of Gaussian and refining the associated flow velocity field. We then design a generative framework adopting a two-staged training paradigm analogous to state-of-the-art image and 3D generative models. In the first stage, we compress geometry distributions into a latent space using a diffusion flow model; the second stage trains another flow model on this latent space. We validate our approach on two key tasks: pose-conditioned random avatar generation and avatar-consistent novel pose synthesis. Experimental results demonstrate that our method outperforms existing state-of-the-art methods, achieving a 57% improvement in geometry quality.

Applications · Language, Speech and Dialog

Zhiheng Xi, Jixuan Huang, Chenyang Liao, Baodai Huang, Jiaqi Liu, Honglin Guo, yajie yang, Rui Zheng, Junjie Ye, Jiazheng Zhang 等

Training LLM agents for complex multi-turn decision-making tasks requires extensive exploration within their environment, with reinforcement learning (RL) as a natural way. However, the open-source community currently lacks a unified RL framework capable of training agents from scratch across diverse and realistic environments. To bridge this gap, we introduce AgentGym-RL, a modular and decoupled framework specifically designed for RL-based agent in multi-turn decision-making tasks. It offers high flexibility and extensibility, supports mainstream RL algorithms, and spans a broad range of real-world scenarios. To effectively train agents for challenging tasks, we argue that they are required to expand external interactions with the environment, rather than relying solely on internal reasoning. Nevertheless, training agents for long-horizon interaction with vanilla methods often faces challenges like training instability. To this end, we propose ScalingInter-RL, a staged training approach for stable long-horizon RL training. It starts with short-horizon interaction to establish foundational policies and progressively expands them to encourage deeper exploration. Extensive experiments show that agents trained with our method achieve performance on par with—or even surpass—commercial counterparts like OpenAI o3 and Gemini-2.5-Pro across 27 tasks in diverse environments. We share key insights and release the full framework, including code and datasets, to empower the community in building the next generation of intelligent agents. Our framework is available at https://github.com/WooooDyy/AgentGym-RL.

Computer Vision · Vision Models & Multimodal

Haochen Zhou, Guofeng Ding, Mouxing Yang, Peng Hu, Yijie Lin, Xi Peng

Multi-view clustering (MVC) aims to group unlabeled data into semantically meaningful clusters by leveraging cross-view consistency. However, real-world datasets collected from the web often suffer from noisy correspondence (NC), which breaks the consistency prior and results in unreliable alignments. In this paper, we identify two critical forms of NC that particularly harm clustering: i) category-level mismatch, where semantically consistent samples from the same class are mistakenly treated as negatives; and ii) sample-level mismatch, where collected cross-view pairs are misaligned and some samples may even lack any valid counterpart. To address these challenges, we propose \textbf{CorreGen}, a generative framework that formulates noisy correspondence learning in MVC as maximum likelihood estimation over underlying cross-view correspondences. The objective is elegantly solved via an Expectation–Maximization algorithm: in the E-step, soft correspondence distributions are inferred across views, capturing class-level relations while adaptively down-weighting noisy or unalignable samples through GMM-guided marginals; in the M-step, the embedding network is updated to maximize the expected log-likelihood. Extensive experiments on both synthetic and real-world noisy datasets demonstrate that our method significantly improves clustering robustness. The code is available at [https://github.com/XLearning-SCU/2026-ICLR-CorreGen](https://github.com/XLearning-SCU/2026-ICLR-CorreGen).

Applications · Neuroscience, Cognitive Science

Grant McConachie, Emily Duniec, Florence Guerina, Meg Younger, Brian DePasquale

Featurizing odorants to enable robust prediction of their properties is difficult due to the complex activation patterns that odorants evoke in the olfactory system. Structurally similar odorants can elicit distinct activation patterns in both the sensory periphery (i.e., at the receptor level) and downstream brain circuits (i.e., at a perceptual level). Despite efforts to design odorant features to better predict how they interact with the olfactory system, there is still no universally accepted approach to this problem. We demonstrate that feature-based approaches that rely on pre-trained foundation models to generate odorant representations $\textit{do not}$ significantly outperform classical hand-designed features on odorant-receptor binding tasks. Instead, we show that it is necessary to fine-tune these features to increase predictive performance. To show this, we introduce a new model that creates olfaction-specific representations: $\textbf{L}$oRA-based $\textbf{O}$dorant-$\textbf{R}$eceptor $\textbf{A}$ffinity prediction with $\textbf{CROSS}$-attention ($\textbf{LORAX}$). We compare existing chemical foundation model representations to hand-designed physicochemical descriptors using feature-based methods and identify large information overlap between these representations, highlighting the necessity of fine-tuning to generate novel and superior odorant representations. We show that LORAX produces a feature space more closely aligned with olfactory neural representation, enabling it to outperform existing models on predictive tasks.

General Machine Learning · Causality

Haoyue Dai, Immanuel Albrecht, Peter Spirtes, Kun Zhang

Causal discovery with latent variables is a fundamental task. Yet most existing methods rely on strong structural assumptions, such as enforcing specific indicator patterns for latents or restricting how they can interact with others. We argue that a core obstacle to a general, structural-assumption-free approach is the lack of an equivalence characterization: without knowing what can be identified, one generally cannot design methods for how to identify it. In this work, we aim to close this gap for linear non-Gaussian models. We establish the graphical criterion for when two graphs with arbitrary latent structure and cycles are distributionally equivalent, that is, they induce the same observed distribution set. Key to our approach is a new tool, edge rank constraints, which fills a missing piece in the toolbox for latent-variable causal discovery in even broader settings. We further provide a procedure to traverse the whole equivalence class and develop an algorithm to recover models from data up to such equivalence. To our knowledge, this is the first equivalence characterization with latent variables in any parametric setting without structural assumptions, and hence the first structural-assumption-free discovery method. Code and an interactive demo are available at https://equiv.cc.

Applications · Climate

Juan Duque, Razvan Ciuca, Ayoub Echchahed, Hugo Larochelle, Aaron Courville

Addressing climate change requires global coordination, yet rational economic actors often prioritize immediate gains over collective welfare, resulting in social dilemmas. InvestESG is a recently proposed multi-agent simulation that captures the dynamic interplay between investors and companies under climate risk. We provide a formal characterization of the conditions under which InvestESG exhibits an intertemporal social dilemma, deriving theoretical thresholds at which individual incentives diverge from collective welfare. Building on this, we apply Advantage Alignment, a scalable opponent shaping algorithm shown to be effective in general-sum games, to influence agent learning in InvestESG. We offer theoretical insights into why Advantage Alignment systematically favors socially beneficial equilibria by biasing learning dynamics toward cooperative outcomes. Our results demonstrate that strategically shaping the learning processes of economic agents can result in better outcomes that could inform policy mechanisms to better align market incentives with long-term sustainability goals.

Applications · Robotics

Utkarsh Mishra, David He, Yongxin Chen, Danfei Xu

Generative models have emerged as powerful tools for planning, with compositional approaches offering particular promise for modeling long-horizon task distributions by composing together local, modular generative models. This compositional paradigm spans diverse domains, from multi-step manipulation planning to panoramic image synthesis to long video generation. However, compositional generative models face a critical challenge: when local distributions are multimodal, existing composition methods average incompatible modes, producing plans that are neither locally feasible nor globally coherent. We propose Compositional Diffusion with Guided Search (CDGS), which addresses this \emph{mode averaging} problem by embedding search directly within the diffusion denoising process. Our method explores diverse combinations of local modes through population-based sampling, prunes infeasible candidates using likelihood-based filtering, and enforces global consistency through iterative resampling between overlapping segments. CDGS matches oracle performance on seven robot manipulation tasks, outperforming baselines that lack compositionality or require long-horizon training data. The approach generalizes across domains, enabling coherent text-guided panoramic images and long videos through effective local-to-global message passing. More details: https://cdgsearch.github.io/

General Machine Learning · Probabilistic Methods

Mykyta Ielanskyi, Kajetan Schweighofer, Lukas Aichberger, Sepp Hochreiter

Hallucinations are a common issue that undermine the reliability of large language models (LLMs). Recent studies have identified a specific subset of hallucinations, known as confabulations, which arise due to predictive uncertainty of LLMs. To detect confabulations, various methods for estimating predictive uncertainty in natural language generation (NLG) have been developed. These methods are typically evaluated by correlating uncertainty estimates with the correctness of generated text, with question-answering (QA) datasets serving as the standard benchmark. However, commonly used approximate correctness functions have substantial disagreement between each other and, consequently, in the ranking of the uncertainty estimation methods. This allows one to inflate the apparent performance of uncertainty estimation methods. We propose using several alternative risk indicators for risk correlation experiments that improve robustness of empirical assessment of UE algorithms for NLG. For QA tasks, we show that marginalizing over multiple LLM-as-a-judge variants leads to reducing the evaluation biases. Furthermore, we explore structured tasks as well as out of distribution and perturbation detection tasks which provide robust and controllable risk indicators. Finally, we propose to use an Elo rating of uncertainty estimation methods to give an objective summarization over extensive evaluation settings.

Xuan Ju, Tianyu Wang, Yuqian Zhou, HE Zhang, Qing Liu, Cherry Zhao, Zhifei Zhang, Yijun Li, Yuanhao Cai, Shaoteng Liu 等

Recent advances in foundation models highlight a clear trend toward unification and scaling, showing emergent capabilities across diverse domains. While image generation and editing have rapidly transitioned from task-specific to unified frameworks, video generation and editing remain fragmented due to architectural limitations and data scarcity. In this work, we introduce EditVerse, a unified framework for image and video generation and editing within a single model. By representing all modalities, i.e., text, image, and video, as a unified token sequence, EditVerse leverages self-attention to achieve robust in-context learning, natural cross-modal knowledge transfer, and flexible handling of inputs and outputs with arbitrary resolutions and durations. To address the lack of video editing training data, we design a scalable data pipeline that curates 232K video editing samples and combines them with large-scale image and video datasets for joint training. Furthermore, we present EditVerseBench, the first benchmark for instruction-based video editing covering diverse tasks and resolutions. Extensive experiments and user studies demonstrate that EditVerse achieves state-of-the-art performance, surpassing existing open-source and commercial models, while exhibiting emergent editing and generation abilities across modalities.

Usha Bhalla, Alex Oesterling, Claudio Mayrink Verdun, Hima Lakkaraju, Flavio Calmon

Translating the internal representations and computations of models into concepts that humans can understand is a key goal of interpretability. While recent dictionary learning methods such as Sparse Autoencoders (SAEs) provide a promising route to discover human-interpretable features, they often only recover token-specific, noisy, or highly local concepts. We argue that this limitation stems from neglecting the temporal structure of language, where semantic content typically evolves smoothly over sequences. Building on this insight, we introduce Temporal Sparse Autoencoders (T-SAEs), which incorporate a novel contrastive loss encouraging consistent activations of high-level features over adjacent tokens. This simple yet powerful modification enables SAEs to disentangle semantic from syntactic features in a self-supervised manner. Across multiple datasets and models, T-SAEs recover smoother, more coherent semantic concepts without sacrificing reconstruction quality. Strikingly, they exhibit clear semantic structure despite being trained without explicit semantic signal, offering a new pathway for unsupervised interpretability in language models.

Theory · Optimization

Ning Yang, Hai Lin, Yibo Liu, Baoliang Tian, Guoqing Liu, Haijun Zhang

Aligning Large Language Models (LLMs) with human preferences is crucial for safe and effective AI interactions. While popular methods like Direct Preference Optimization (DPO) have simplified alignment, they remain sensitive to data noise and overlook the differential importance of individual tokens. Existing token-level approaches often rely on probability prediction or simplistic weighting schemes to obtain token importance, which still cannot fully address these issues. To solve this problem, we propose the Token-Importance Guided Direct Preference Optimization (TI-DPO), a framework that achieves fine-grained semantic control through two synergistic innovations. First, we propose a novel hybrid weighting mechanism that combines gradient attribution with a Gaussian prior, ensuring both the accuracy and robustness of token importance scores. Second, we employ a triplet loss to provide structured guidance for the optimization, explicitly guiding model outputs to approach preferred responses and diverge from non-preferred ones. Experimental results show that TI-DPO achieves higher accuracy and stronger generative diversity, providing more stable and computationally efficient solutions compared with DPO and other RLHF methods.

Theory · Probabilistic Methods

Lukas Aichberger, Kajetan Schweighofer, Sepp Hochreiter

Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Leading uncertainty estimation methods generate and analyze multiple output sequences, which is computationally expensive and impractical at scale. In this work, we inspect the theoretical foundations of these methods and explore new directions to enhance computational efficiency. Building on the framework of proper scoring rules, we find that the negative log-likelihood of the most likely output sequence constitutes a theoretically principled uncertainty measure. To approximate this alternative measure, we propose G-NLL, obtained using a single output sequence from greedy decoding. This approach streamlines uncertainty estimation while preserving theoretical rigor. Empirical results demonstrate that G-NLL achieves state-of-the-art performance across various scenarios. Our work lays the theoretical foundation for efficient and reliable uncertainty estimation in natural language generation, challenging the necessity of the prevalent methods that are more complex and resource-intensive.

General Machine Learning · Everything Else

Satchel Grant, Simon Jerome Han, Alexa Tartaglini, Christopher Potts

A common approach to mechanistic interpretability is to causally manipulate model representations via targeted interventions in order to understand what those representations encode. Here we ask whether such interventions create out-of-distribution (divergent) representations, and whether this raises concerns about how faithful their resulting explanations are to the target model in its natural state. First, we demonstrate theoretically and empirically that common causal intervention techniques often do shift internal representations away from the natural distribution of the target model. Then, we provide a theoretical analysis of two cases of such divergences: "harmless" divergences that occur in the behavioral null-space of the layer(s) of interest, and "pernicious" divergences that activate hidden network pathways and cause dormant behavioral changes. Finally, in an effort to mitigate the pernicious cases, we apply and modify the Counterfactual Latent (CL) loss from Grant (2025) allowing representations from causal interventions to remain closer to the natural distribution, reducing the likelihood of harmful divergences while preserving the interpretive power of the interventions. Together, these results highlight a path towards more reliable interpretability methods.

Applications · Neuroscience, Cognitive Science

Ritik Raina, Abe Leite, Alexandros Graikos, Seoyoung Ahn, Dimitris Samaras, Gregory Zelinsky

Human vision combines low-resolution “gist” information from the visual periphery with sparse but high-resolution information from fixated locations to construct a coherent understanding of a visual scene. In this paper, we introduce MetamerGen, a tool for generating scenes that are aligned with latent human scene representations. MetamerGen is a latent diffusion model that combines peripherally obtained scene gist information with information obtained from scene-viewing fixations to generate image metamers for what humans understand after viewing a scene. Generating images from both high and low resolution (i.e. “foveated”) inputs constitutes a novel image-to-image synthesis problem, which we tackle by introducing a dual-stream representation of the foveated scenes consisting of DINOv2 tokens that fuse detailed features from fixated areas with peripherally degraded features capturing scene context. To evaluate the perceptual alignment of MetamerGen generated images to latent human scene representations, we conducted a same-different behavioral experiment where participants were asked for a “same” or “different” response between the generated and the original image. With that, we identify scene generations that are indeed metamers for the latent scene representations formed by the viewers. MetamerGen is a powerful tool for understanding scene understanding. Our proof-of-concept analyses uncovered specific features at multiple levels of visual processing that contributed to human judgments. While it can generate metamers even conditioned on random fixations, we find that high-level semantic alignment most strongly predicts metamerism when the generated scenes are conditioned on viewers’ own fixated regions.

Theory · Probabilistic Methods

Nikos Tsikouras, Yorgos Pantis, Ioannis Mitliagkas, Christos Tzamos

Understanding the dynamics of feature learning in neural networks (NNs) remains a significant challenge. The work of (Mousavi-Hosseini et al., 2023) analyzes a multiple index teacher-student setting and shows that a two-layer student attains a low-rank structure in its first-layer weights when trained with stochastic gradient descent (SGD) and a strong regularizer. This structural property is known to reduce sample complexity of generalization. Indeed, in a second step, the same authors establish algorithm-specific learning guarantees under additional assumptions. In this paper, we focus exclusively on the structure discovery aspect and study it under weaker assumptions, more specifically: we allow (a) NNs of arbitrary size and depth, (b) with all parameters trainable, (c) under any smooth loss function, (d) tiny regularization, and (e) trained by any method that attains a second-order stationary point (SOSP), e.g. perturbed gradient descent (PGD). At the core of our approach is a key $\textit{derandomization}$ lemma, which states that optimizing the function $E_{x} \left[g_{\theta}(Wx + b)\right]$ converges to a point where $W = 0$, under mild conditions. The fundamental nature of this lemma directly explains structure discovery and has immediate applications in other domains including an end-to-end approximation for MAXCUT, and computing Johnson-Lindenstrauss embeddings.

Social Aspects · Everything Else

Tejal Patwardhan, Rachel Dias, Elizabeth Proehl, Grace Kim, Michele Wang, Olivia Watkins, Simon Fishman, Marwan Aljubeh, Phoebe Thacker, Laurance Fauconnet 等

We introduce GDPval, a benchmark evaluating AI model capabilities on real-world economically valuable knowledge-work tasks. GDPval covers the majority of Department of Labor O*NET Work Activities for 44 occupations across the top 9 sectors contributing to U.S. GDP (Gross Domestic Product). Tasks are constructed from the representative work of industry professionals with an average of 14 years of experience. We find that frontier model performance on GDPval is improving roughly linearly over time, and that the current best frontier models are approaching industry experts in deliverable quality. We analyze the potential for frontier models, when paired with human oversight, to perform GDPval tasks cheaper and faster than unaided experts. We also demonstrate that increased reasoning effort, increased task context, and increased scaffolding improves model performance on GDPval. Finally, we open-source a gold subset of 220 tasks and provide a public automated grading service to facilitate future research in understanding real-world model capabilities.