arXiv subjects

Jiayu Yao

Publications and source records attributed to Jiayu Yao.

At least 19 recordsLinked to original sources

arXiv2026

OpenAI4S: Code as Action, Science as Sessions

AI co-scientists could accelerate computational research, but over a long-running study the workflow also has to stay inspectable, resumable and reproducible, which requires persistent computational state and provenance. Here we present OpenAI4S, an open-source scientific research agent built around the principle of \emph{Code as Action, Science as Sessions}. OpenAI4S combines a persistent computing runtime with research-session management: orchestration is handled through structured tool calls, while scientific actions are represented as complete code cells executed in persistent Python and R kernels. An append-only Action Ledger, per-cell execution records, versioned artifacts, environment records, and workspace checkpoints preserve how results were produced and support session recovery, branching, and extension. Configurable sandboxing, permission controls, and code and trajectory screening provide complementary safeguards. We evaluate OpenAI4S on 36 research scenarios spanning retrosynthesis, molecular dynamics, protein binder design, protein mutation, catalyst screening, and mineral spectroscopy, measuring scientific task accuracy, workflow completeness, and reproducibility of the resulting repositories. OpenAI4S achieves an overall score of 7.83, compared with 5.7--6.4 for a general-purpose coding harness evaluated with three frontier models, with the largest gains on long-horizon and computation-intensive workflows. These results suggest that integrating persistent execution with session-level provenance can improve the reliability of AI-assisted scientific workflows. Environment specification and full rerunnability remain weak for every evaluated system, ours included, so reproducibility is still an open problem for scientific agents. The system is available under the MIT license at \href{https://github.com/PKU-YuanGroup/OpenAI4S}{github.com/PKU-YuanGroup/OpenAI4S}.

cs.AI↗

arXiv2026

Focusing by Contrastive Attention: Enhancing VLMs' Visual Reasoning

Vision-Language Models (VLMs) have demonstrated remarkable success across diverse visual tasks, yet their performance degrades in complex visual environments. While existing enhancement approaches require additional training, rely on external segmentation tools, or operate at coarse-grained levels, they overlook the innate ability within VLMs. To bridge this gap, we investigate VLMs' attention patterns and discover that: (1) visual complexity strongly correlates with attention entropy, negatively impacting reasoning performance; (2) attention progressively refines from global scanning in shallow layers to focused convergence in deeper layers, with convergence degree determined by visual complexity. (3) Theoretically, we prove that the contrast of attention maps between general queries and task-specific queries enables the decomposition of visual signal into semantic signals and visual noise components. Building on these insights, we propose Contrastive Attention Refinement for Visual Enhancement (CARVE), a training-free method that extracts task-relevant visual signals through attention contrasting at the pixel level. Extensive experiments demonstrate that CARVE consistently enhances performance, achieving up to 75% improvement on open-source models. Our work provides critical insights into the interplay between visual complexity and attention mechanisms, offering an efficient pathway for improving visual reasoning with contrasting attention.

cs.CV↗

arXiv2026

PRISM-$Δ$: Differential Subspace Steering for Prompt Highlighting in Large Language Models

Prompt highlighting steers a large language model to prioritize user-specified text spans during generation. A key challenge of existing Key-editing approaches is extracting steering directions that capture the difference between relevant and irrelevant contexts, rather than shared structural patterns common to both. We propose PRISM-$Δ$ (Projection-based Relevance-Informed Steering Method), which decomposes the difference between positive and negative cross-covariance matrices to maximize discriminative energy while eliminating shared directions. Each attention head receives a continuous softplus importance weight, letting weak-but-useful heads contribute at reduced strength. The framework extends naturally to Value representations, capturing content-channel signal that Key-only methods leave unused. Across four benchmarks and five models, our methods match or exceed the best existing method on 19 of 20 configurations, with relative gains up to +13.0%, while halving the fluency cost of steering. Our methods also scale to long-context retrieval, outperforming the best existing method by up to +5.1% relative gain. PRISM-$Δ$ is compatible with FlashAttention and adds negligible memory overhead.

cs.CL↗

arXiv2026

Multimodal Reward Hacking in Reinforcement Learning

Reinforcement learning (RL) is increasingly used to align multimodal large language models (MLLMs), but higher rewards do not always imply better task performance. This risk is amplified when visual evidence is evaluated by text-only or weakly grounded rewards. We study reward hacking in MLLM RL across safety VQA, chart VQA, and stress-test settings, varying reward design, data ambiguity, model scale (2B-32B), and RL algorithm (GRPO, RLOO, DAPO). We introduce Newly Rewarded Failure Rate (NRFR), which measures failures among samples whose proxy reward improves over the SFT baseline. Outcome-only rewards cause severe hacking, reaching 48.1% Reward Hacking Rate (RHR), while NRFR exceeding RHR shows that RL creates new failures rather than merely inheriting them. Scaling reduces but does not eliminate hacking: even the 32B model retains a 54.9% worse rate under outcome-only rewards, whereas answer-aware rewards improve the oracle trend at every scale. Robustness is also algorithm- and scale-dependent: GRPO is consistently most resistant, RLOO remains vulnerable, and DAPO improves substantially from 2B to 8B. Visual-evidence rewards help only with reliable verification: keyword-based checks increase hacking, while VLM-as-judge semantic verification reduces it. Overall, multimodal reward hacking is a systematic result of optimizing imperfect rewards, and robust alignment requires rewards and verifiers that remain reliable under optimization pressure.

cs.AI↗

arXiv2026

SAFARI: Scaling Long Horizon Agentic Fault Attribution via Active Investigation

As autonomous agents tackle increasingly complex multi-step, multi-agent tasks, their execution trajectories have scaled beyond the constraints of even the largest context windows. Current methods for effectively diagnosing agent failures load the full trajectory into an LLM's context window, which suffers from attention dilution and fails when agentic traces inevitably exceed context limits. To address this, we introduce SAFARI (Scaling long-horizon Agentic Fault AttRibution via active Investigation), a framework that replaces linear context loading with a tool-augmented diagnostic loop. By equipping LLMs with a specialized toolbox to read and search trajectory segments alongside a persistent Short-Term Memory (STM) for cross-turn reasoning, SAFARI effectively decouples diagnostic accuracy from architectural context limits. Our experiments demonstrate that SAFARI outperforms state-of-the-art results by 20% on the Who&When dataset within a 1M token budget, and by 19% on TRAIL GAIA subset on a 25K token budget. Most significantly, SAFARI maintains a 0.58 precision even when the target fault resides 5x beyond the model's native context window, a scenario where traditional evaluators fail entirely.

cs.AI↗

arXiv2026

AsFT: Anchoring Safety During LLM Fine-Tuning Within Narrow Safety Basin

Fine-tuning large language models (LLMs) improves performance but introduces critical safety vulnerabilities: even minimal harmful data can severely compromise safety measures. We observe that perturbations orthogonal to the alignment direction - defined by weight differences between aligned (safe) and unaligned models - rapidly compromise model safety. In contrast, updates along the alignment direction largely preserve it, revealing the parameter space as a "narrow safety basin". To address this, we propose AsFT (Anchoring Safety in Fine-Tuning) to maintain safety by explicitly constraining update directions during fine-tuning. By penalizing updates orthogonal to the alignment direction, AsFT effectively constrains the model within the "narrow safety basin," thus preserving its inherent safety. Extensive experiments on multiple datasets and models show that AsFT reduces harmful behaviors by up to 7.60%, improves task performance by 3.44%, and consistently outperforms existing methods across multiple tasks.

cs.LG↗

arXiv2026

Learning-To-Measure: In-Context Active Feature Acquisition

Active feature acquisition (AFA) is a sequential decision-making problem where the goal is to improve model performance for test instances by adaptively selecting which features to acquire. In practice, AFA methods often learn from retrospective data with systematic missingness in the features and limited task-specific labels. Most prior work addresses acquisition for a single predetermined task, limiting scalability. To address this limitation, we formalize the meta-AFA problem, where the goal is to learn acquisition policies across various tasks. We introduce Learning-to-Measure (L2M), which consists of i) reliable uncertainty quantification over unseen tasks, and ii) an uncertainty-guided greedy feature acquisition agent that maximizes conditional mutual information. We demonstrate a sequence-modeling or autoregressive pre-training approach that underpins reliable uncertainty quantification for tasks with arbitrary missingness. L2M operates directly on datasets with retrospective missingness and performs the meta-AFA task in-context, eliminating per-task retraining. Across synthetic and real-world tabular benchmarks, L2M matches or surpasses task-specific baselines, particularly under scarce labels and high missingness.

cs.LG↗

arXiv2026

CANDOR: Counterfactual ANnotated DOubly Robust Off-Policy Evaluation

Off-policy evaluation (OPE) is critical for applying contextual bandit algorithms to high-stakes decision-making settings such as healthcare, where new treatment policies must be evaluated prior to deployment. Unfortunately, OPE techniques are inherently limited by the breadth of the available data, which may not be sufficient to evaluate the performance of a new policy. Recent work attempts to improve dataset coverage by adding expert-annotated counterfactual samples. However, such annotations are often imperfect and can lead to worse estimator performance than using no annotations at all. To better leverage imperfect annotations, we propose a family of OPE estimators grounded in the doubly robust (DR) framework, which combines importance sampling (IS) with a reward model (direct method, DM) for better statistical guarantees. We study three ways of incorporating counterfactual annotations. Under mild assumptions, we prove that using annotations within just the DM component yields the most desirable theoretical results. Experiments on multiple healthcare tasks, including real-world electronic health records (EHR) data, show that this strategy is most robust under misspecified reward models and inaccurate annotations. By addressing the challenges posed by imperfect annotations, this work broadens the applicability of OPE methods and facilitates safer deployment of decision-making policies in healthcare.

cs.LG↗

arXiv2026

HighlightBench: Benchmarking Markup-Driven Table Reasoning in Scientific Documents

Visual markups such as highlights, underlines, and bold text are common in table-centric documents. Although multimodal large language models (MLLMs) have made substantial progress in document understanding, their ability to treat such cues as explicit logical directives remains under-explored. More importantly, existing evaluations cannot distinguish whether a model fails to see the markup or fails to reason with it. This creates a key blind spot in assessing markup-conditioned behavior over tables. To address this gap, we introduce HighlightBench, a diagnostic benchmark for markup-driven table understanding that decomposes evaluation into five task families: Markup Grounding, Constrained Retrieval, Local Relations, Aggregation \& Comparison, and Consistency \& Missingness. We further provide a reference pipeline that makes intermediate decisions explicit, enabling reproducible baselines and finer-grained attribution of errors along the perception-to-execution chain. Experiments show that even strong models remain unstable when visual cues must be consistently aligned with symbolic reasoning under structured output constraints.

cs.CV↗

arXiv2026

AudioMotionBench: Evaluating Auditory Motion Perception in Audio LLMs

Large Audio-Language Models (LALMs) have recently shown impressive progress in speech recognition, audio captioning, and auditory question answering. Yet, whether these models can perceive spatial dynamics, particularly the motion of sound sources, remains unclear. In this work, we uncover a systematic motion perception deficit in current ALLMs. To investigate this issue, we introduce AudioMotionBench, the first benchmark explicitly designed to evaluate auditory motion understanding. AudioMotionBench introduces a controlled question-answering benchmark designed to evaluate whether Audio-Language Models (LALMs) can infer the direction and trajectory of moving sound sources from binaural audio. Comprehensive quantitative and qualitative analyses reveal that current models struggle to reliably recognize motion cues or distinguish directional patterns. The average accuracy remains below 50\%, underscoring a fundamental limitation in auditory spatial reasoning. Our study highlights a fundamental gap between human and model auditory spatial reasoning, providing both a diagnostic tool and new insight for enhancing spatial cognition in future Audio-Language Models.

cs.SD↗

arXiv2026

Gated Differentiable Working Memory for Long-Context Language Modeling

Long contexts challenge transformers: attention scores dilute across thousands of tokens, critical information is often lost in the middle, and models struggle to adapt to novel patterns at inference time. Recent work on test-time adaptation addresses this by maintaining a form of working memory -- transient parameters updated on the current context -- but existing approaches rely on uniform write policies that waste computation on low-utility regions and suffer from high gradient variance across semantically heterogeneous contexts. In this work, we reframe test-time adaptation as a budget-constrained memory consolidation problem, focusing on which parts of the context should be consolidated into working memory under limited computation. We propose Gdwm (Gated Differentiable Working Memory), a framework that introduces a write controller to gate the consolidation process. The controller estimates Contextual Utility, an information-theoretic measure of long-range contextual dependence, and allocates gradient steps accordingly while maintaining global coverage. Experiments on ZeroSCROLLS and LongBench v2 demonstrate that Gdwm achieves comparable or superior performance with 4$\times$ fewer gradient steps than uniform baselines, establishing a new efficiency-performance Pareto frontier for test-time adaptation.

cs.CL↗

arXiv2025

A Survey of Vibe Coding with Large Language Models

The advancement of large language models (LLMs) has catalyzed a paradigm shift from code generation assistance to autonomous coding agents, enabling a novel development methodology termed "Vibe Coding" where developers validate AI-generated implementations through outcome observation rather than line-by-line code comprehension. Despite its transformative potential, the effectiveness of this emergent paradigm remains under-explored, with empirical evidence revealing unexpected productivity losses and fundamental challenges in human-AI collaboration. To address this gap, this survey provides the first comprehensive and systematic review of Vibe Coding with large language models, establishing both theoretical foundations and practical frameworks for this transformative development approach. Drawing from systematic analysis of over 1000 research papers, we survey the entire vibe coding ecosystem, examining critical infrastructure components including LLMs for coding, LLM-based coding agent, development environment of coding agent, and feedback mechanisms. We first introduce Vibe Coding as a formal discipline by formalizing it through a Constrained Markov Decision Process that captures the dynamic triadic relationship among human developers, software projects, and coding agents. Building upon this theoretical foundation, we then synthesize existing practices into five distinct development models: Unconstrained Automation, Iterative Conversational Collaboration, Planning-Driven, Test-Driven, and Context-Enhanced Models, thus providing the first comprehensive taxonomy in this domain. Critically, our analysis reveals that successful Vibe Coding depends not merely on agent capabilities but on systematic context engineering, well-established development environments, and human-agent collaborative development models.

cs.AI↗

arXiv2025

Not in Sync: Unveiling Temporal Bias in Audio Chat Models

Large Audio Language Models (LALMs) are increasingly applied to audio understanding and multimodal reasoning, yet their ability to locate when events occur remains underexplored. We present the first systematic study of temporal bias in LALMs, revealing a key limitation in their timestamp prediction. For example, when asked "At which second does the lecturer introduce the key formula?", models often predict timestamps that are consistently earlier or later than the ground truth. Through controlled experiments on timestamped datasets, we find that temporal bias (i) is prevalent across datasets and models, (ii) increases with audio length - even accumulating to tens of seconds in extended recordings, and (iii) varies across event types and positions. We quantify this effect with the Temporal Bias Index (TBI), measuring systematic misalignment in predicted event timings, and complement it with a visualization framework. Our findings highlight a fundamental limitation in current LALMs and call for the development of temporally robust architectures.

cs.CL↗

arXiv2025

A Survey of Context Engineering for Large Language Models

The performance of Large Language Models (LLMs) is fundamentally determined by the contextual information provided during inference. This survey introduces Context Engineering, a formal discipline that transcends simple prompt design to encompass the systematic optimization of information payloads for LLMs. We present a comprehensive taxonomy decomposing Context Engineering into its foundational components and the sophisticated implementations that integrate them into intelligent systems. We first examine the foundational components: context retrieval and generation, context processing and context management. We then explore how these components are architecturally integrated to create sophisticated system implementations: retrieval-augmented generation (RAG), memory systems and tool-integrated reasoning, and multi-agent systems. Through this systematic analysis of over 1400 research papers, our survey not only establishes a technical roadmap for the field but also reveals a critical research gap: a fundamental asymmetry exists between model capabilities. While current models, augmented by advanced context engineering, demonstrate remarkable proficiency in understanding complex contexts, they exhibit pronounced limitations in generating equally sophisticated, long-form outputs. Addressing this gap is a defining priority for future research. Ultimately, this survey provides a unified framework for both researchers and engineers advancing context-aware AI.

cs.CL↗

arXiv2025

Kernel Density Bayesian Inverse Reinforcement Learning

Inverse reinforcement learning (IRL) methods infer an agent's reward function using demonstrations of expert behavior. A Bayesian IRL approach models a distribution over candidate reward functions, capturing a degree of uncertainty in the inferred reward function. This is critical in some applications, such as those involving clinical data. Typically, Bayesian IRL algorithms require large demonstration datasets, which may not be available in practice. In this work, we incorporate existing domain-specific data to achieve better posterior concentration rates. We study a common setting in clinical and biological applications where we have access to expert demonstrations and known reward functions for a set of training tasks. Our aim is to learn the reward function of a new test task given limited expert demonstrations. Existing Bayesian IRL methods impose restrictions on the form of input data, thus limiting the incorporation of training task data. To better leverage information from training tasks, we introduce kernel density Bayesian inverse reinforcement learning (KD-BIRL). Our approach employs a conditional kernel density estimator, which uses the known reward functions of the training tasks to improve the likelihood estimation across a range of reward functions and demonstration samples. Our empirical results highlight KD-BIRL's faster concentration rate in comparison to baselines, particularly in low test task expert demonstration data regimes. Additionally, we are the first to provide theoretical guarantees of posterior concentration for a Bayesian IRL algorithm. Taken together, this work introduces a principled and theoretically grounded framework that enables Bayesian IRL to be applied across a variety of domains.

cs.LG↗

arXiv2025

Who is in the Spotlight: The Hidden Bias Undermining Multimodal Retrieval-Augmented Generation

Multimodal Retrieval-Augmented Generation (RAG) systems have become essential in knowledge-intensive and open-domain tasks. As retrieval complexity increases, ensuring the robustness of these systems is critical. However, current RAG models are highly sensitive to the order in which evidence is presented, often resulting in unstable performance and biased reasoning, particularly as the number of retrieved items or modality diversity grows. This raises a central question: How does the position of retrieved evidence affect multimodal RAG performance? To answer this, we present the first comprehensive study of position bias in multimodal RAG systems. Through controlled experiments across text-only, image-only, and mixed-modality tasks, we observe a consistent U-shaped accuracy curve with respect to evidence position. To quantify this bias, we introduce the Position Sensitivity Index ($PSI_p$) and develop a visualization framework to trace attention allocation patterns across decoder layers. Our results reveal that multimodal interactions intensify position bias compared to unimodal settings, and that this bias increases logarithmically with retrieval range. These findings offer both theoretical and empirical foundations for position-aware analysis in RAG, highlighting the need for evidence reordering or debiasing strategies to build more reliable and equitable generation systems.

cs.CL↗

arXiv2024

Inverse Reinforcement Learning with Multiple Planning Horizons

In this work, we study an inverse reinforcement learning (IRL) problem where the experts are planning under a shared reward function but with different, unknown planning horizons. Without the knowledge of discount factors, the reward function has a larger feasible solution set, which makes it harder for existing IRL approaches to identify a reward function. To overcome this challenge, we develop algorithms that can learn a global multi-agent reward function with agent-specific discount factors that reconstruct the expert policies. We characterize the feasible solution space of the reward function and discount factors for both algorithms and demonstrate the generalizability of the learned reward function across multiple domains.

cs.LG↗

arXiv2024

Compositional Q-learning for electrolyte repletion with imbalanced patient sub-populations

Reinforcement learning (RL) is an effective framework for solving sequential decision-making tasks. However, applying RL methods in medical care settings is challenging in part due to heterogeneity in treatment response among patients. Some patients can be treated with standard protocols whereas others, such as those with chronic diseases, need personalized treatment planning. Traditional RL methods often fail to account for this heterogeneity, because they assume that all patients respond to the treatment in the same way (i.e., transition dynamics are shared). We introduce Compositional Fitted $Q$-iteration (CFQI), which uses a compositional task structure to represent heterogeneous treatment responses in medical care settings. A compositional task consists of several variations of the same task, each progressing in difficulty; solving simpler variants of the task can enable efficient solving of harder variants. CFQI uses a compositional $Q$-value function with separate modules for each task variant, allowing it to take advantage of shared knowledge while learning distinct policies for each variant. We validate CFQI's performance using a Cartpole environment and use CFQI to recommend electrolyte repletion for patients with and without renal disease. Our results demonstrate that CFQI is robust even in the presence of class imbalance, enabling effective information usage across patient sub-populations. CFQI exhibits great promise for clinical applications in scenarios characterized by known compositional structures.

cs.LG↗