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General Machine Learning · Everything Else

Kevin Tirta Wijaya, Michael Sun, Minghao Guo, Hans-peter Seidel, Wojciech Matusik, Vahid Babaei

Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy deteriorates in data-scarce regimes. We introduce RankRefine, a model-agnostic, plug-and-play post-hoc refinement technique that injects expert knowledge through pairwise rankings. Given a query item and a small reference set with known properties, RankRefine combines the base regressor’s output with a rank-based estimate via inverse-variance weighting, requiring no retraining. In molecular property prediction task, RankRefine achieves up to 10\% relative reduction in mean absolute error using only 20 pairwise comparisons obtained through a general-purpose large language model (LLM) with no finetuning. As rankings provided by human experts or general-purpose LLMs are sufficient for improving regression across diverse domains, RankRefine offers practicality and broad applicability, especially in low-data settings.

Applications · Language, Speech and Dialog

Jiacong Zhou, Jiaxu Miao, xianyun wang, Jun Yu

Large Language Models (LLMs) have shown the promising planning capabilities for robotic manipulation, which advances the development of embodied intelligence significantly. However, existing LLM-driven robotic manipulation approaches excel at simple pick-and-place tasks but are insufficient for complex manipulation tasks due to inaccurate procedural knowledge. Besides, for embodied intelligence, equipping a large scale LLM is energy-consuming and inefficient, which affects its real-world application. To address the above problems, we propose Hierarchical Procedural Knowledge Graphs (\textbf{HP-KG}) to enhance LLMs for complex robotic planning while significantly reducing the demand for LLM scale in robotic manipulation. Considering that the complex real-world tasks require multiple steps, and each step is composed of robotic-understandable atomic actions, we design a hierarchical knowledge graph structure to model the relationships between tasks, steps, and actions. This design bridges the gap between human instructions and robotic manipulation actions. To construct HP-KG, we develop an automatic knowledge graph construction framework powered by LLM-based multi-agents, which eliminates costly manual efforts while maintaining high-quality graph structures. The resulting HP-KG encompasses over 40k activity steps across more than 6k household tasks, spanning diverse everyday scenarios. Extensive experiments demonstrate that small scale LLMs (7B) enhanced by our HP-KG significantly improve the planning capabilities, which are stronger than 72B LLMs only. Encouragingly, our approach remains effective on the most powerful GPT-4o model.

Theory · Reinforcement Learning and Planning

Shinji Ito, Kevin Jamieson, Haipeng Luo, Arnab Maiti, Taira Tsuchiya

We study online learning in finite-horizon episodic Markov decision processes (MDPs) under the challenging \textit{aggregate bandit feedback} model, where the learner observes only the cumulative loss incurred in each episode, rather than individual losses at each state-action pair. While prior work in this setting has focused exclusively on worst-case analysis, we initiate the study of \textit{best-of-both-worlds} (BOBW) algorithms that achieve low regret in both stochastic and adversarial environments. We propose the first BOBW algorithms for episodic tabular MDPs with aggregate bandit feedback. In the case of known transitions, our algorithms achieve $O(\log T)$ regret in stochastic settings and ${O}(\sqrt{T})$ regret in adversarial ones. Importantly, we also establish matching lower bounds, showing the optimality of our algorithms in this setting. We further extend our approach to unknown-transition settings by incorporating confidence-based techniques. Our results rely on a combination of FTRL over occupancy measures, self-bounding techniques, and new loss estimators inspired by recent advances in online shortest path problems. Along the way, we also provide the first individual-gap-dependent lower bounds and demonstrate near-optimal BOBW algorithms for shortest path problems with bandit feedback.

Computer Vision · Vision Models & Multimodal

Weihao Xuan, Junjue Wang, Heli Qi, Zihang Chen, Zhuo Zheng, Yanfei Zhong, Junshi Xia, Naoto YOKOYA

Multimodal large language models (MLLMs) have demonstrated remarkable capabilities in visual understanding, but their application to long-term Earth observation analysis remains limited, primarily focusing on single-temporal or bi-temporal imagery. To address this gap, we introduce **DVL-Suite**, a comprehensive framework for analyzing long-term urban dynamics through remote sensing imagery. Our suite comprises 14,871 high-resolution (1.0m) multi-temporal images spanning 42 major cities in the U.S. from 2005 to 2023, organized into two components: **DVL-Bench** and **DVL-Instruct**. The *DVL-Bench* includes six urban understanding tasks, from fundamental change detection (*pixel-level*) to quantitative analyses (*regional-level*) and comprehensive urban narratives (*scene-level*), capturing diverse urban dynamics including expansion/transformation patterns, disaster assessment, and environmental challenges. We evaluate 18 state-of-the-art MLLMs and reveal their limitations in long-term temporal understanding and quantitative analysis. These challenges motivate the creation of *DVL-Instruct*, a specialized instruction-tuning dataset designed to enhance models' capabilities in multi-temporal Earth observation. Building upon this dataset, we develop **DVLChat**, a baseline model capable of both image-level question-answering and pixel-level segmentation, facilitating a comprehensive understanding of city dynamics through language interactions. Project: [https://github.com/weihao1115/dynamicvl](https://github.com/weihao1115/dynamicvl).

Computer Vision · Vision Models & Multimodal

Junjue Wang, Weihao Xuan, Heli Qi, Zhihao Liu, Kunyi Liu, Yuhan Wu, Hongruixuan Chen, JIAN SONG, Junshi Xia, Zhuo Zheng 等

Large vision-language models (VLMs) have made great achievements in Earth vision. However, complex disaster scenes with diverse disaster types, geographic regions, and satellite sensors have posed new challenges for VLM applications. To fill this gap, we curate the first remote sensing vision-language dataset (DisasterM3) for global-scale disaster assessment and response. DisasterM3 includes 26,988 bi-temporal satellite images and 123k instruction pairs across 5 continents, with three characteristics: **1) Multi-hazard**: DisasterM3 involves 36 historical disaster events with significant impacts, which are categorized into 10 common natural and man-made disasters. **2) Multi-sensor**: Extreme weather during disasters often hinders optical sensor imaging, making it necessary to combine Synthetic Aperture Radar (SAR) imagery for post-disaster scenes. **3) Multi-task**: Based on real-world scenarios, DisasterM3 includes 9 disaster-related visual perception and reasoning tasks, harnessing the full potential of VLM's reasoning ability with progressing from disaster-bearing body recognition to structural damage assessment and object relational reasoning, culminating in the generation of long-form disaster reports. We extensively evaluated 14 generic and remote sensing VLMs on our benchmark, revealing that state-of-the-art models struggle with the disaster tasks, largely due to the lack of a disaster-specific corpus, cross-sensor gap, and damage object counting insensitivity. Focusing on these issues, we fine-tune four VLMs using our dataset and achieve stable improvements (up to 10.4\%$\uparrow$QA, 2.1$\uparrow$Report, 40.8\%$\uparrow$Referring Seg.) with robust cross-sensor and cross-disaster generalization capabilities. Project: https://github.com/Junjue-Wang/DisasterM3.

Theory · Learning Theory

Pierre-François Massiani, Christian Fiedler, Lukas Haverbeck, Friedrich Solowjow, Sebastian Trimpe

We propose a framework for hypothesis testing on conditional probability distributions, which we then use to construct *statistical tests of functionals of conditional distributions*. These tests identify the inputs where the functionals differ with high probability, and include tests of conditional moments or two-sample tests. Our key idea is to transform confidence bounds of a learning method into a test of conditional expectations. We instantiate this principle for kernel ridge regression (KRR) with subgaussian noise. An intermediate data embedding then enables more general tests — including *conditional two-sample tests* — via kernel mean embeddings of distributions. To have guarantees in this setting, we generalize existing pointwise-in-time or time-uniform confidence bounds for KRR to previously-inaccessible yet essential cases such as infinite-dimensional outputs with non-trace-class kernels. These bounds also circumvent the need for independent data, allowing for instance online sampling. To make our tests readily applicable in practice, we introduce bootstrapping schemes leveraging the parametric form of testing thresholds identified in theory to avoid tuning inaccessible parameters. We illustrate the tests on examples, including one in process monitoring and comparison of dynamical systems. Overall, our results establish a comprehensive foundation for conditional testing on functionals, from theoretical guarantees to an algorithmic implementation, and advance the state of the art on confidence bounds for vector-valued least squares estimation.

Probabilistic Methods · Monte Carlo and Sampling Methods

Joseph Rowan, Truong Buu Phan, Ashish Khisti

We study a relaxation of the problem of coupling probability distributions — a list of samples is generated from one distribution and an *accept* is declared if any one of these samples is identical to the sample generated from the other distribution. We propose a novel method for generating samples, which extends the Gumbel-max sampling suggested in Daliri et al. (2025) for coupling probability distributions. We also establish a corresponding lower bound on the acceptance probability, which we call the \emph{list matching lemma}. We next discuss two applications of our setup. First, we develop a new mechanism for multi-draft speculative sampling that is simple to implement and achieves performance competitive with baselines such as SpecTr and SpecInfer across a range of language tasks. Our method also guarantees a certain degree of *drafter invariance* with respect to the output tokens which is not supported by existing schemes. We also provide a theoretical lower bound on the token level acceptance probability. As our second application, we consider distributed lossy compression with side information in a setting where a source sample is compressed and available to multiple decoders, each with independent side information. We propose a compression technique that is based on our generalization of Gumbel-max sampling and show that it provides significant gains in experiments involving synthetic Gaussian sources and the MNIST image dataset.

Probabilistic Methods

Truong Buu Phan, Ashish Khisti

We study channel simulation and distributed matching, two fundamental problems with several applications to machine learning, using a recently introduced generalization of the standard rejection sampling (RS) algorithm known as Ensemble Rejection Sampling (ERS). For channel simulation, we propose a new coding scheme based on ERS that achieves a near-optimal coding rate. In this process, we demonstrate that standard RS can also achieve a near-optimal coding rate and generalize the result of Braverman and Garg (2014) to the continuous alphabet setting. Next, as our main contribution, we present a distributed matching lemma for ERS, which serves as the rejection sampling counterpart to the Poisson Matching Lemma (PML) introduced by Li and Anantharam (2021). Our result also generalizes a recent work on importance matching lemma (Phan et al, 2024) and, to our knowledge, is the first result on distributed matching in the family of rejection sampling schemes where the matching probability is close to PML. We demonstrate the practical significance of our approach over prior works by applying it to distributed compression. The effectiveness of our proposed scheme is validated through experiments involving synthetic Gaussian sources and distributed image compression using the MNIST dataset.

Computer Vision · Vision Models & Multimodal

Philip Schroeder, Ondrej Biza, Thomas Weng, Hongyin Luo, Jim Glass

Vision-language models (VLMs) have exhibited impressive capabilities across diverse image understanding tasks, but still struggle in settings that require reasoning over extended sequences of camera frames from a video. This limits their utility in embodied settings, which require reasoning over long frame sequences from a continuous stream of visual input at each moment of a task attempt. To address this limitation, we propose ROVER (Reasoning Over VidEo Recursively), a framework that enables the model to recursively decompose long-horizon video trajectories into segments corresponding to shorter subtasks within the trajectory. In doing so, ROVER facilitates more focused and accurate reasoning over temporally localized frame sequences without losing global context. We evaluate ROVER, implemented using an in-context learning approach, on diverse OpenX Embodiment videos and on a new dataset derived from RoboCasa that consists of 543 videos showing both expert and perturbed non-expert trajectories across 27 manipulation tasks. ROVER outperforms strong baselines across three video reasoning tasks: task progress estimation, frame-level natural language reasoning, and video question answering. We observe that, by reducing the number of frames the model reasons over at each timestep, ROVER mitigates model hallucinations, especially during unexpected or non-optimal moments of a trajectory. In addition, by enabling the implementation of a subtask-specific sliding context window, ROVER's time complexity scales linearly with video length, an asymptotic improvement over baselines.

Reinforcement Learning · Deep RL

Yurun Yuan, Fan Chen, Zeyu Jia, Alexander Rakhlin, Tengyang Xie

Policy-based methods currently dominate reinforcement learning (RL) pipelines for large language model (LLM) reasoning, leaving value-based approaches largely unexplored. We revisit the classical paradigm of Bellman Residual Minimization and introduce Trajectory Bellman Residual Minimization (TBRM), an algorithm that naturally adapts this idea to LLMs, yielding a simple yet effective off-policy algorithm that optimizes a single trajectory-level Bellman objective using the model's own logits as $Q$-values. TBRM removes the need for critics, importance-sampling ratios, or clipping, and can operate with only one rollout per prompt. We prove convergence to the near-optimal KL-regularized policy from arbitrary off-policy data via an improved change-of-trajectory-measure analysis. Experiments on standard mathematical-reasoning benchmarks show that TBRM matches or surpasses policy-based baselines, like PPO and GRPO, with comparable or lower computational and memory overhead. Our results indicate that value-based RL might be a principled and efficient alternative for enhancing reasoning capabilities in LLMs. The codebase for TBRM is publicly available at [https://github.com/rlx-lab/TBRM](https://github.com/rlx-lab/TBRM).

Reinforcement Learning · Batch Offline

Carlo Alfano, Silvia Sapora, Jakob Foerster, Patrick Rebeschini, Yee Whye Teh

Evaluating preference optimization (PO) algorithms on LLM alignment is a challenging task that presents prohibitive costs, noise, and several variables like model size and hyper-parameters. In this work, we show that it is possible to gain insights on the efficacy of PO algorithm on much simpler benchmarks. We design a diagnostic suite of MuJoCo tasks and datasets, which we use to systematically evaluate PO algorithms, establishing a more controlled and cheaper benchmark. We then propose a novel family of PO algorithms based on mirror descent, which we call Mirror Preference Optimization (MPO). Through evolutionary strategies, we search this class to discover algorithms specialized to specific properties of preference datasets, such as mixed-quality or noisy data. We demonstrate that our discovered PO algorithms outperform all known algorithms in the targeted MuJoCo settings. Finally, based on the insights gained from our MuJoCo experiments, we design a novel PO algorithm that significantly outperforms existing baselines in an LLM alignment task.

Reinforcement Learning · Everything Else

Valentina Pyatkin, Saumya Malik, Victoria Graf, Hamish Ivison, Shengyi Huang, Pradeep Dasigi, Nathan Lambert, Hanna Hajishirzi

A crucial factor for successful human and AI interaction is the ability of language models or chatbots to follow human instructions precisely. A common feature of instructions are output constraints like ``only answer with yes or no" or ``mention the word `abracadabra' at least 3 times" that the user adds to craft a more useful answer.Even today's strongest models struggle with fulfilling such constraints. We find that most models strongly overfit on a small set of verifiable constraints from the benchmarks that test these abilities, a skill called precise instruction following, and are not able to generalize well to unseen output constraints. We introduce a new benchmark, IFBench, to evaluate precise instruction following generalization on 58 new, diverse, and challenging verifiable out-of-domain constraints. In addition, we perform an extensive analysis of how and on what data models can be trained to improve precise instruction following generalization. Specifically, we carefully design constraint verification modules and show that reinforcement learning with verifiable rewards (RLVR) significantly improves instruction following. In addition to IFBench, we release 29 additional new hand-annotated training constraints and verification functions, RLVR training prompts, and code.

Applications · Chemistry and Drug Discovery

Rachapun Rotrattanadumrong, Carlo De Donno

Oligonucleotide therapeutics offer great potential to address previously undruggable targets and enable personalized medicine. However, their progress is often hindered by insufficient safety and efficacy profiles. Predictive modeling and machine learning could significantly accelerate oligonucleotide drug discovery by identifying suboptimal compounds early on, but their application in this area lags behind other modalities. A key obstacle to the adoption of machine learning in the field is the scarcity of readily accessible and standardized datasets for model development, as data are often scattered across diverse experiments with inconsistent molecular representations. To overcome this challenge, we introduce OligoGym, a curated collection of standardized, machine learning-ready datasets encompassing various oligonucleotide therapeutic modalities and endpoints. We used OligoGym to benchmark diverse classical and deep learning methods, establishing performance baselines for each dataset across different featurization techniques, model configurations, and splitting strategies. Our work represents a crucial first step in creating a more unified framework for oligonucleotide therapeutic dataset generation and model training.

Applications · Time Series

Sangho Lee, Kyeongseo Min, Youngdoo Son, Hyungrok Do

Time series are often irregularly sampled with uneven time intervals. In multivariate cases, such irregularities may lead to misaligned observations across variables and varying observation counts, making it difficult to extract intrinsic patterns and degrading the classification performance of deep learning models. In this study, we propose an adaptive time encoding approach to address the challenge of irregular sampling in multivariate time-series classification. Our approach generates latent representations at learnable reference points that capture missingness patterns in irregular sequences, enhancing classification performance. We also introduce consistency regularization techniques to incorporate intricate temporal and intervariable information into the learned representations. Extensive experiments demonstrate that our method achieves state-of-the-art performance with high computational efficiency in irregular multivariate time-series classification tasks.

Optimization

Gonzalo E. Constante, Hao Chen, Can Li

Deep learning models are increasingly deployed in safety-critical tasks where predictions must satisfy hard constraints, such as physical laws, fairness requirements, or safety limits. However, standard architectures lack built-in mechanisms to enforce such constraints, and existing approaches based on regularization or projection are often limited to simple constraints, computationally expensive, or lack feasibility guarantees. This paper proposes a model-agnostic framework for enforcing input-dependent linear equality and inequality constraints on neural network outputs. The architecture combines a task network trained for prediction accuracy with a safe network trained using decision rules from the stochastic and robust optimization literature to ensure feasibility across the entire input space. The final prediction is a convex combination of the two subnetworks, guaranteeing constraint satisfaction during both training and inference without iterative procedures or runtime optimization. We prove that the architecture is a universal approximator of constrained functions and derive computationally tractable formulations based on linear decision rules. Empirical results on benchmark regression tasks show that our method consistently satisfies constraints while maintaining competitive accuracy and low inference latency.

Optimization · Everything Else

Chengyu Lu, Zhenhua Li, Xi Lin, Ji Cheng, Qingfu Zhang

Multi-objective optimization problems (MOPs) are prevalent in numerous real-world applications. Recently, Pareto Set Learning (PSL) has emerged as a powerful paradigm for solving MOPs. PSL can produce a neural network for modeling the set of all Pareto optimal solutions. However, applying PSL to black-box objectives, particularly those exhibiting non-separability, high dimensionality, and/or other complex properties, remains very challenging. To address this issue, we propose leveraging evolution strategies (ESs), a class of specialized black-box optimization algorithms, within the PSL paradigm. Traditional ESs capture the complex dimensional dependencies less efficiently, which can significantly hinder their performance in PSL. To tackle this issue, we suggest encapsulating the dependencies within a neural network, which is then trained using a novel gradient estimation method. The proposed method, termed Neural-ES, is evaluated using a bespoke benchmark suite for black-box PSL. Experimental comparisons with other methods demonstrate the efficiency of Neural-ES, underscoring its ability to learn the Pareto sets of challenging black-box MOPs.

Bilgehan Sel, Vaishakh Keshava, Phillip Wallis, Lukas Rutishauser, Ming Jin, Dingcheng Li

Addressing the critical need for robust safety in Large Language Models (LLMs), particularly against adversarial attacks and in-distribution errors, we introduce Reinforcement Learning with Backtracking Feedback (RLBF). This framework advances upon prior methods, such as BSAFE, by primarily leveraging a Reinforcement Learning (RL) stage where models learn to dynamically correct their own generation errors. Through RL with critic feedback on the model's live outputs, LLMs are trained to identify and recover from their actual, emergent safety violations by emitting an efficient "backtrack by x tokens" signal, then continuing generation autoregressively. This RL process is crucial for instilling resilience against sophisticated adversarial strategies, including middle filling, Greedy Coordinate Gradient (GCG) attacks, and decoding parameter manipulations. To further support the acquisition of this backtracking capability, we also propose an enhanced Supervised Fine-Tuning (SFT) data generation strategy (BSAFE+). This method improves upon previous data creation techniques by injecting violations into coherent, originally safe text, providing more effective initial training for the backtracking mechanism. Comprehensive empirical evaluations demonstrate that RLBF significantly reduces attack success rates across diverse benchmarks and model scales, achieving superior safety outcomes while critically preserving foundational model utility.

Social Aspects · Trustworthy Machine Learning

Myeongseob Ko, Hoang Anh Just, Charles Fleming, Ming Jin, Ruoxi Jia

Machine unlearning has emerged as a prevalent technical solution for selectively removing unwanted knowledge absorbed during pre-training, without requiring full retraining. While recent unlearning techniques can effectively remove undesirable content without severely compromising performance on standard benchmarks, we find that they may inadvertently create ``knowledge holes''---unintended losses of benign knowledge that standard benchmarks fail to capture. To probe where unlearned models reveal knowledge holes, we propose a test case generation framework that explores both immediate neighbors of unlearned content and broader areas of potential failures. Our evaluation demonstrates significant hidden costs of unlearning: up to 98.7\% of the test cases yield irrelevant or nonsensical responses from unlearned models, despite being answerable by the pretrained model. These findings necessitate rethinking the conventional approach to evaluating knowledge preservation in unlearning, moving beyond standard, static benchmarks.

Applications · Language, Speech and Dialog

Xianzhe Fan, Xuhui Zhou, Chuanyang Jin, Kolby Nottingham, Hao Zhu, Maarten Sap

Humans continuously infer the states, goals, and behaviors of others by perceiving their surroundings in dynamic, real-world social interactions. However, most Theory of Mind (ToM) benchmarks only evaluate static, text-based scenarios, which have a significant gap compared to real interactions. We propose the SoMi-ToM benchmark, designed to evaluate multi-perspective ToM in embodied multi-agent complex social interactions. This benchmark is based on rich multimodal interaction data generated by the interaction environment SoMi, covering diverse crafting goals and social relationships. Our framework supports multi-level evaluation: (1) first-person evaluation provides multimodal (visual, dialogue, action, etc.) input from a first-person perspective during a task for real-time state inference, (2) third-person evaluation provides complete third-person perspective video and text records after a task for goal and behavior inference. This evaluation method allows for a more comprehensive examination of a model's ToM capabilities from both the subjective immediate experience and the objective global observation. We constructed a challenging dataset containing 35 third-person perspective videos, 363 first-person perspective images, and 1225 expert-annotated multiple-choice questions (three options). On this dataset, we systematically evaluated the performance of human subjects and several state-of-the-art large vision-language models (LVLMs). The results show that LVLMs perform significantly worse than humans on SoMi-ToM: the average accuracy gap between humans and models is 40.1% in first-person evaluation and 26.4% in third-person evaluation. This indicates that future LVLMs need to further improve their ToM capabilities in embodied, complex social interactions.

Social Aspects · Trustworthy Machine Learning

Chenlong Zhang, Zhuoran Jin, Hongbang Yuan, Jiaheng Wei, Tong Zhou, Kang Liu, Jun Zhao, Yubo Chen

The widespread deployment of Large Language Models (LLMs) trained on massive, uncurated corpora has raised growing concerns about the inclusion of sensitive, copyrighted, or illegal content. This has led to increasing interest in LLM unlearning: the task of selectively removing specific information from a model without retraining from scratch or degrading overall utility. However, existing methods often rely on large-scale forget and retain datasets, and suffer from unnatural responses, poor generalization, or catastrophic utility loss. In this work, we propose $\textbf{R}$einforcement $\textbf{U}$n$\textbf{LE}$arning ($\textbf{RULE}$), an efficient framework that formulates unlearning as a refusal boundary optimization problem. RULE is trained with a small portion of forget set and synthesized boundary queries, using a verifiable reward function that encourages safe refusal on forget-related queries while preserving helpful responses on permissible inputs. We provide both theoretical and empirical evidence demonstrating the effectiveness of RULE in achieving targeted unlearning without compromising model utility. Experimental results show that, with only 12\% forget set and 8\% synthesized boundary data, RULE outperforms existing baselines by up to $17.4\%$ forget quality and $16.3\%$ naturalness response while maintaining general utility, achieving $\textit{forget-retain Pareto Optimality}$. Remarkably, we further observe that RULE improves the $\textit{naturalness}$ of model outputs, enhances training $\textit{efficiency}$, and exhibits strong $\textit{generalization ability}$, generalizing refusal behavior to semantically related but unseen queries.