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Applications · Everything Else

Weikai Xu, Zhizheng Jiang, Yuxuan Liu, Pengzhi Gao, WEI LIU, Jian Luan, Yunxin Liu, Yuanchun Li, Bin Wang, Bo An

VLM-based mobile agents are increasingly popular due to their capabilities to interact with smartphone GUIs and XML-structured texts and to complete daily tasks. However, existing online benchmarks fail to obtain stable critical reward signals under dynamic environmental changes, and neglect the influence of noise components and interactive instructions. Offline benchmarks evaluate the agents through single-path trajectories, which stand in contrast to the inherently multi-solution characteristics of GUI tasks. To address these limitations, we introduce SMAN-Bench, a benchmark designed to evaluate agents under Single-path, Multi-path, Ambiguous, and Noisy task settings. We employ a slot-based instruction generation method to match templates with GUI trajectories from an existing, graph-structured, unlabeled mobile corpus. SMAN-Bench includes a common task split, with offline multi-path evaluation to assess the agent’s ability to obtain step rewards during task execution. It contains a noisy split based on pop-ups and ad apps, and a contaminated split named AITZ-Noise to simulate a realistic noisy environment. Furthermore, an ambiguous instruction split with preset Q&A interactions is released to evaluate the agent’s proactive interaction capabilities. Our evaluation covers mobile agent frameworks like AppAgent-v1, Mobile-Agent-v2, and Mobile-Agent-E, and includes both open-source and closed-source mobile fundamental models, as well as several multimodal reasoning models.

Reinforcement Learning · Everything Else

Zihan Liu, Zhuolin Yang, Yang Chen, Chankyu Lee, Mohammad Shoeybi, Bryan Catanzaro, Wei Ping

In this work, we investigate the synergy between supervised fine-tuning (SFT) and reinforcement learning (RL) in developing strong reasoning models. We begin by curating the SFT training data through two scaling strategies: increasing the number of collected prompts and the number of generated responses per prompt. Both approaches yield notable improvements in reasoning performance, with scaling the number of prompts resulting in more substantial gains. We then explore the following questions regarding the synergy between SFT and RL: (i) Does a stronger SFT model consistently lead to better final performance after large-scale RL training? (ii) How can we determine an appropriate sampling temperature during RL training to effectively balance exploration and exploitation for a given SFT initialization? Our findings suggest that (i) holds true, provided effective RL training is conducted, particularly when the sampling temperature is carefully chosen to maintain the temperature-adjusted entropy around 0.3, a setting that strikes a good balance between exploration and exploitation. Notably, the performance gap between initial SFT models narrows significantly throughout the RL process. Built on a strong SFT foundation and SFT–RL synergy, our AceReason-Nemotron-1.1 7B model significantly outperforms AceReason-Nemotron-1.0 and achieves new state-of-the-art performance among Qwen2.5-7B-based reasoning models on challenging math and code benchmarks, thereby demonstrating the effectiveness of our post-training recipe.

Heyang Zhao, Tianyuan Jin, Weixin Wang, Vincent Tan, Pan Xu, Quanquan Gu

Recent years have witnessed increasing interests in tackling heteroscedastic noise in bandits and reinforcement learning \citep{zhou2021nearly, zhao2023variance, jia2024does, pacchiano2025second}. In these works, the cumulative variance of the noise $\Lambda = \sum_{t=1}^T \sigma_t^2$, where $\sigma_t^2$ is the variance of the noise at round $t$, has been used to characterize the statistical complexity of the problem, yielding simple regret bounds of order $\tilde{\mathcal O}(d \sqrt{\Lambda / T^2})$ for linear bandits with heteroscedastic noise \citep{zhou2021nearly, zhao2023variance}. However, with a closer look, $\Lambda$ remains the same order even if the noise is close to zero at half of the rounds, which indicates that the $\Lambda$-dependence is not optimal. In this paper, we revisit the linear bandit problem with heteroscedastic noise. We consider the setting where the action set is fixed throughout the learning process. We propose a novel variance-adaptive algorithm VAEE (Variance-Aware Exploration with Elimination) for large action set, which actively explores actions that maximizes the information gain among a candidate set of actions that are not eliminated. With the active-exploration strategy, we show that VAEE achieves a *simple regret* with a nearly *harmonic-mean* dependent rate, i.e. $\tilde{\mathcal O}\Big(d\Big[\sum_{t = 1}^T \frac{1}{\sigma_t^2} - \sum_{i = 1}^{\tilde{O}(d)} \frac{1}{[\sigma^{(i)}]^2} \Big]^{-\frac{1}{2}}\Big)$ where $d$ is the dimension of the feature space and $\sigma^{(i)}$ is the $i$-th smallest variance among $\\{\sigma_t\\}_{t=1}^T$. For finitely many actions, we propose a variance-aware variant of G-optimal design based exploration, which achieves a $\tilde {\mathcal O}$ $\bigg(\sqrt{d \log |\mathcal A| }\Big[ \sum\_{t = 1}\^T \frac{1}{\sigma\_t\^2}- \sum\_{i = 1}^{\tilde{O}(d)} \frac{1}{[\sigma^{(i)}]^2} \Big]^{-\frac{1}{2}}\bigg)$ simple regret bound. We also establish a nearly matching lower bound for the fixed action set setting indicating that \emph{harmonic-mean} dependent rate is unavoidable. To the best of our knowledge, this is the first work that breaks the $\sqrt{\Lambda}$ barrier for linear bandits with heteroscedastic noise.

Sibylle Marcotte, Gabriel Peyré, Rémi Gribonval

A fundamental challenge in the theory of deep learning is to understand whether gradient-based training can promote parameters belonging to certain lower-dimensional structures (e.g., sparse or low-rank sets), leading to so-called implicit bias. As a stepping stone, motivated by the proof structure of existing implicit bias analyses, we study when a gradient flow on a parameter $\theta$ implies an intrinsic gradient flow on a ``lifted'' variable $z = \phi(\theta)$, for an architecture-related function $\phi$. We express a so-called intrinsic dynamic property and show how it is related to the study of conservation laws associated with the factorization $\phi$. This leads to a simple criterion based on the inclusion of kernels of linear maps, which yields a necessary condition for this property to hold. We then apply our theory to general ReLU networks of arbitrary depth and show that, for a dense set of initializations, it is possible to rewrite the flow as an intrinsic dynamic in a lower dimension that depends only on $z$ and the initialization, when $\phi$ is the so-called path-lifting. In the case of linear networks with $\phi$, the product of weight matrices, the intrinsic dynamic is known to hold under so-called balanced initializations; we generalize this to a broader class of {\em relaxed balanced} initializations, showing that, in certain configurations, these are the \emph{only} initializations that ensure the intrinsic metric property. Finally, for the linear neural ODE associated with the limit of infinitely deep linear networks, with relaxed balanced initialization, we make explicit the corresponding intrinsic dynamics.

Wenjie Du, Jiahui Zhang, Xuqiang Li, Sihan Wang, Zhengyang Zhou, Hongxin Xiang, Jun Xia, Ye Wei, Yang Wang

Molecular interactions are a common phenomenon in physical chemistry field, which could produce unexpected biochemical properties harmful to humans, such as drug-drug interactions. Machine learning has the potential to deliver rapid and accurate predictions. However, the complexity of molecular structures and the diversity of molecular interactions could undermine model prediction accuracy and hinder generalizability. In this context, identifying core invariant substructures (\textit{i.e.}, rationales) has become essential for enhancing interpretability and generalization. Despite notable efforts, existing models often neglect the molecular pairs’ modeling, leading to insufficient capture of interaction relationships. To address these limitations, we propose a novel framework, \textbf{I}nteraction-aware \textbf{I}nvariant \textbf{Mole}cular learning (I2Mole), for generalizable property prediction. I2Mole meticulously models atomic interactions such as hydrogen bonds by initially establishing indiscriminate connections between intermolecular atoms, which are subsequently refined using an improved graph information bottleneck theory tailored for merged graphs. To further enhance model generalization, we construct an environment codebook by environment subgraph of the merged graph. This approach not only could provide noise source for optimizing mutual information but also preserve the integrity of chemical semantic information. By comprehensively leveraging the information inherent in the merged graph, our model accurately captures core substructures and significantly enhances generalization capabilities. Extensive experimental validation demonstrates the efficacy and generalizability of I2Mole. The implementation code is available.

Arun Jose, Niels Warncke, Mia Taylor

Large language models can exhibit different behaviors during training versus deployment, a phenomenon known as alignment faking. While prior work has shown models can explicitly reason about faking alignment to preserve their goals, we demonstrate that Claude 3.5 Sonnet exhibits alignment faking behavior without verbalizing deceptive reasoning. When told its reasoning will be monitored and that it will be trained to comply with harmful queries, the model shows a 24.3\% compliance gap between training and deployment contexts while its verbalization of alignment faking drops by 93.7\%. We compare this to instruction-based approaches where we explicitly tell models to hide certain reasoning from monitors. We find that intrinsic motivation to obfuscate leads to far better performance at evading a monitor than following instructions, even with assistance on how to do so. Even on tasks requiring simpler reasoning, instruction-based methods only reduce verbalization by 47.6\%. Our results indicate that models can exhibit sophisticated deceptive behavior in high-stakes scenarios without accessible reasoning when internally motivated, limiting the reliability of instruction-based elicitation.

Zijie Zhao, Honglei Guo, Shengqian Chen, Kaixuan Xu, Bo Jiang, Yuanheng Zhu, Dongbin Zhao

Model-based reinforcement learning (MBRL) has achieved remarkable success in robotics due to its high sample efficiency and planning capability. However, extending MBRL to physical multi-robot cooperation remains challenging due to the complexity of joint dynamics. To address this challenge, we propose the Sequential World Model (**SeqWM**), a novel framework that integrates the sequential paradigm into multi-robot MBRL. SeqWM employs independent, autoregressive agent-wise world models to represent joint dynamics, where each agent generates its future trajectory and plans its actions based on the predictions of its predecessors. This design lowers modeling complexity and enables the emergence of advanced cooperative behaviors through explicit intention sharing. Experiments on Bi-DexHands and Multi-Quadruped demonstrate that SeqWM outperforms existing state-of-the-art model-based and model-free baselines in both overall performance and sample efficiency, while exhibiting advanced cooperative behaviors such as predictive adaptation, temporal alignment, and role division. Furthermore, SeqWM has been successfully deployed on physical quadruped robots, validating its effectiveness in real-world multi-robot systems. Demos and code are available at: https://github.com/zhaozijie2022/seqwm

General Machine Learning · Everything Else

Maria-Eleni Sfyraki, Jun-Kun Wang

In this work, we revisit the problem of active sequential prediction-powered mean estimation, where at each round one must decide the query probability of the ground-truth label upon observing the covariates of a sample. Furthermore, if the label is not queried, the prediction from a machine learning model is used instead. Prior work proposed an elegant scheme that determines the query probability by combining an uncertainty-based suggestion with a constant probability that encodes a soft constraint on the query probability. We explored different values of the mixing parameter and observed an intriguing empirical pattern: the smallest confidence width tends to occur when the weight on the constant probability is close to one, thereby reducing the influence of the uncertainty-based component. Motivated by this observation, we develop a non-asymptotic analysis of the estimator and establish a data-dependent bound on its confidence interval. Our analysis further suggests that when a no-regret learning approach is used to determine the query probability and control this bound, the query probability converges to the constraint of the max value of the query probability when it is chosen obliviously to the current covariates. We also conduct simulations that corroborate these theoretical findings.

Theory · Interpretability and Visualization

Garrett Baker, George Wang, Jesse Hoogland, Vinayak Pathak, Daniel Murfet

We develop a linear response framework for interpretability that treats a neural network as a Bayesian statistical mechanical system. A small perturbation of the data distribution, for example shifting the Pile toward GitHub or legal text, induces a first-order change in the posterior expectation of an observable localized on a chosen component of the network. The resulting susceptibility can be estimated efficiently with local SGLD samples and factorizes into signed, per-token contributions that serve as attribution scores. We combine these susceptibilities into a response matrix whose low-rank structure separates functional modules such as multigram and induction heads in a 3M-parameter transformer.

Xi Wang, Yang Zhang, Yingjia Zhang, Yejia Cai, Shenji Wan

Molecular representations (MRs) that capture 3D conformations are critical for applications such as reaction prediction, drug design, and material discovery. Yet despite the rapid development of molecular representation models, there is no comprehensive benchmark to evaluate their treatment of 3D conformational information. We introduce 3DCS, the first benchmark for 3D Conformational Sensitivity in MRs. 3DCS evaluates whether representations within the same molecule (i) preserve geometric variation, (ii) capture chirality, and (iii) reflect the energy landscape. To enable this, we curate three large-scale datasets ($>$1M molecules, $\sim$10M conformers) spanning relaxed torsional scans, chiral drug candidates, and AIMD trajectories, and propose a unified Geometry–Chirality–Energy (GCE) evaluation framework. Empirical analysis reveals that while modern data-driven MRs are highly geometry-sensitive, they inconsistently handle chirality and poorly align with energy, which is often overlooked. 3DCS thus provides the first rigorous benchmark for developing physically grounded, functionally reliable 3D molecular representations. GitHub repository: https://github.com/ComDec/3DCS.

Social Aspects · Trustworthy Machine Learning

Zhixian Wang, Zhanhao Hu, David Wagner

Large Language Models (LLMs) are trained with safety alignment to prevent generating malicious content. Although some attacks have highlighted vulnerabilities in these safety-aligned LLMs, they typically have limitations, such as necessitating access to the model weights or the generation process. Since proprietary models through API-calling do not grant users such permissions, these attacks find it challenging to compromise them. In this paper, we propose Jailbreaking Using LLM Introspection (JULI), which jailbreaks LLMs by manipulating the token log probabilities, using a tiny plug-in block, BiasNet. JULI relies solely on the knowledge of the target LLM's predicted token log probabilities. It can effectively jailbreak API-calling LLMs under a black-box setting and knowing only top-$5$ token log probabilities. Our approach demonstrates superior effectiveness, outperforming existing state-of-the-art (SOTA) approaches across multiple metrics.

Xuying Ning, Dongqi Fu, Tianxin Wei, Mengting Ai, Jiaru Zou, Ting-Wei Li, Hanghang Tong, Yada Zhu, Hendrik Hamann, Jingrui He

With the increasing demand for step-wise, cross-modal, and knowledge-grounded reasoning, multimodal large language models (MLLMs) are evolving beyond the traditional fixed retrieve-then-generate paradigm toward more sophisticated agentic multimodal retrieval-augmented generation (MM-RAG). Existing benchmarks, however, mainly focus on simplified QA with short retrieval chains, leaving adaptive planning and multimodal reasoning underexplored. We present MC-Search, the first benchmark for agentic MM-RAG with long, step-wise annotated reasoning chains spanning five representative reasoning structures. Each example specifies sub-questions, retrieval modalities, supporting facts, and intermediate answers, with fidelity ensured by HAVE (Hop-wise Attribution and Verification of Evidence), resulting in 3,333 high-quality examples averaging 3.7 hops. Beyond answer accuracy, MC-Search introduces new process-level metrics for reasoning quality, stepwise retrieval and planning accuracy. By developing a unified agentic MM-RAG pipeline, we benchmark six leading MLLMs and reveal systematic issues such as over- and under-retrieval and modality-misaligned planning. Finally, we introduce Search-Align, a process-supervised fine-tuning framework leveraging verified reasoning chains, showing that our data not only enables faithful evaluation but also improves planning and retrieval fidelity in open-source MLLMs.

Applications · Time Series

Boyuan Li, Zhen Liu, Yicheng Luo, Qianli Ma

Irregular Multivariate Time Series (IMTS) are characterized by uneven intervals between consecutive timestamps, which carry sampling pattern information valuable and informative for learning temporal and variable dependencies. In addition, IMTS often exhibit diverse dependencies across multiple time scales. However, many existing multi-scale IMTS methods use resampling to obtain the coarse series, which can alter the original timestamps and disrupt the sampling pattern information. To address the challenge, we propose ReIMTS, a **Re**cursive multi-scale modeling approach for **I**rregular **M**ultivariate **T**ime **S**eries forecasting. Instead of resampling, ReIMTS keeps timestamps unchanged and recursively splits each sample into subsamples with progressively shorter time periods. Based on the original sampling timestamps in these long-to-short subsamples, an irregularity-aware representation fusion mechanism is proposed to capture global-to-local dependencies for accurate forecasting. Extensive experiments demonstrate an average performance improvement of 27.1\% in the forecasting task across different models and real-world datasets. Our code is available at [https://github.com/Ladbaby/PyOmniTS](https://github.com/Ladbaby/PyOmniTS).

Computer Vision · Image and Video Generation

Haotian Ye, Qiyuan He, Jiaqi Han, Puheng Li, Jiaojiao Fan, Zekun Hao, Fitsum Reda, Yogesh Balaji, Huayu Chen, Sheng Liu 等

Accurate and efficient discrete video tokenization is essential for long video sequences processing. Yet, the inherent complexity and variable information density of videos present a significant bottleneck for current tokenizers, which rigidly compress all content at a fixed rate, leading to redundancy or information loss. Drawing inspiration from Shannon's information theory, this paper introduces \alg, a principled framework for adaptive video tokenization. We rigorously prove that existing data-agnostic training methods are suboptimal in representation length, and present a novel evidence lower bound (ELBO)-based algorithm that approaches theoretical optimality. Leveraging this framework, we develop a transformer-based adaptive compressor that enables adaptive tokenization. Empirical results demonstrate state-of-the-art compression performance, saving $20\%$ tokens without influence on performance, and achieving $2.3\times$ compression rates while still outperforming prior heuristic adaptive approaches. By allocating tokens according to informational richness, \alg enables a more compressed yet accurate tokenization for video representation, offering valuable insights for future research.

Haotian Ye, Qiyuan He, Jiaqi Han, Puheng Li, Jiaojiao Fan, Zekun Hao, Fitsum Reda, Yogesh Balaji, Huayu Chen, Sheng Liu 等

Accurate and efficient discrete video tokenization is essential for long video sequences processing. Yet, the inherent complexity and variable information density of videos present a significant bottleneck for current tokenizers, which rigidly compress all content at a fixed rate, leading to redundancy or information loss. Drawing inspiration from Shannon's information theory, this paper introduces \alg, a principled framework for adaptive video tokenization. We rigorously prove that existing data-agnostic training methods are suboptimal in representation length, and present a novel evidence lower bound (ELBO)-based algorithm that approaches theoretical optimality. Leveraging this framework, we develop a transformer-based adaptive compressor that enables adaptive tokenization. Empirical results demonstrate state-of-the-art compression performance, saving $20\%$ tokens without influence on performance, and achieving $2.3\times$ compression rates while still outperforming prior heuristic adaptive approaches. By allocating tokens according to informational richness, \alg enables a more compressed yet accurate tokenization for video representation, offering valuable insights for future research.

Optimization · Non-Convex

Yudong Wei, Liang Zhang, Bingcong Li, Niao He

While normalization techniques are widely used in deep learning, their theoretical understanding remains relatively limited. In this work, we establish the benefits of (generalized) weight normalization (WN) applied to the overparameterized matrix sensing problem. We prove that WN with Riemannian optimization achieves linear convergence, yielding an $\textit{exponential}$ speedup over standard methods that do not use WN. Our analysis further demonstrates that both iteration and sample complexity improve polynomially as the level of overparameterization increases. To the best of our knowledge, this work provides the first characterization of how WN leverages overparameterization for faster convergence in matrix sensing.

Social Aspects · Trustworthy Machine Learning

Casey Barkan, Sidney Black, Oliver Sourbut

We investigate whether large language models (LLMs) can predict whether they will succeed on a given task and whether their predictions improve as they progress through multi-step tasks. We also investigate whether LLMs can learn from in-context experiences to make better decisions about whether to pursue a task in scenarios where failure is costly. All LLMs we tested are overconfident, but most predict their success with better-than-random discriminatory power. We find that newer and larger LLMs generally do not have greater discriminatory power, though Claude models do show such a trend. On multi-step agentic tasks, the overconfidence of several frontier LLMs worsens as they progress through the tasks, and reasoning LLMs perform comparably to or worse than non-reasoning LLMs. With in-context experiences of failure, some but not all LLMs reduce their overconfidence leading to significantly improved decision making, while others do not. Interestingly, all LLMs’ decisions are approximately rational given their estimated probabilities of success, yet their overly-optimistic estimates result in poor decision making. These results suggest that current LLM agents are hindered by their lack of awareness of their own capabilities. We discuss the implications of LLMs' awareness of their capabilities for AI misuse and misalignment risks.

Reinforcement Learning · Deep RL

Haoran Xu, Kaiwen Hu, Somayeh Sojoudi, Amy Zhang

We study behavior-regularized reinforcement learning (RL), where regularization toward a reference distribution (the dataset in offline RL or the base model in LLM RL finetuning) is essential to prevent value over-optimization caused by erroneous out-of-distribution extrapolation. Existing methods either rely on reparameterized policy gradient, which are difficult to scale to large generative models, or on reject sampling, which can be overly conservative when attempting to move beyond the behavior support. In this paper, we propose Value Gradient Flow (VGF), a scalable new paradigm for behavior-regularized RL. VGF casts behavior-regularized RL as an optimal transport problem that maps the reference distribution to the value-induced optimal policy distribution. We solve this transport problem via discrete gradient flow, where value gradients guide particles initialized from the reference distribution. Our analysis shows that VGF imposes regularization implicitly by controlling the transport budget. VGF eliminates explicit policy parameterization while remaining expressive and flexible, this enables adaptive test-time scaling by adjusting the transport budget. Extensive experiments demonstrate that VGF significantly outperforms prior methods, achieving state-of-the-art results on offline RL benchmarks (D4RL, OGBench) and LLM RL tasks.

Computer Vision · Vision Models & Multimodal

Long Xing, Xiaoyi Dong, Yuhang Zang, Yuhang Cao, Jianze Liang, Qidong Huang, Jiaqi Wang, Feng Wu, Dahua Lin

Image captioning is a fundamental task that bridges the visual and linguistic domains, playing a critical role in pre-training Large Vision-Language Models (LVLMs). Current state-of-the-art captioning models are typically trained with Supervised Fine-Tuning (SFT), a paradigm that relies on expensive, non-scalable data annotated by humans or proprietary models. This approach often leads to models that memorize specific ground-truth answers, limiting their generality and ability to generate diverse, creative descriptions. To overcome the limitation of SFT, we propose applying the Reinforcement Learning with Verifiable Rewards (RLVR) paradigm to the open-ended task of image captioning. A primary challenge, however, is designing an objective reward function for the inherently subjective nature of what constitutes a "good" caption. We introduce Captioning Reinforce- ment Learning (CapRL), a novel training framework that redefines caption quality through its utility: a high-quality caption should enable a non-visual language model to accurately answer questions about the corresponding image. CapRL employs a decoupled two-stage pipeline where an LVLM generates a caption, and the objective reward is derived from the accuracy of a separate, vision-free LLM answering Multiple-Choice Questions based solely on that caption. As the first study to apply RLVR to the subjective image captioning task, we demonstrate that CapRL significantly enhances multiple settings. Pretraining on the CapRL- 5M caption dataset annotated by CapRL-3B results in substantial gains across 12 benchmarks. Moreover, within the Prism Framework for caption quality evaluation, CapRL achieves performance comparable to Qwen2.5-VL-72B, while exceeding the baseline by an average margin of 8.4%. Results validate that our CapRL effec- tively trains models to produce a more general and accurate image descriptions, moving beyond the limitations of traditional SFT-based image captioning models.

General Machine Learning · Everything Else

Hongyi Liu, Jiaji Huang, Zhen Jia, Youngsuk Park, Yu-Xiang Wang

Speculative decoding is widely used in accelerating large language model (LLM) inference. In this work, we focus on the online draft model selection problem in speculative decoding. We design an algorithm that provably competes with the best draft model in hindsight for each query in terms of either the token acceptance probability or expected acceptance length. In particular, we show that we can accurately evaluate all draft models, instead of only the chosen model without incurring additional queries to the target model, which allows us to improve exponentially over the existing bandit-based approach as the number of draft models increases. Our approach is generically applicable with any speculative decoding methods (single draft, multi-drafts and draft-trees). Moreover, we design system-efficient versions of online learners and demonstrate that the overhead in computation and latency can be substantially reduced. We conduct extensive experiments on open-source LLMs and diverse datasets, demonstrating that our methods substantially outperform the state-of-the-art EAGLE3 and the BanditSpec baseline in a variety of domains where specialized domain-expert drafters are available, especially when long reasoning chains are required.