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arXiv subjects

Linyi Yang

Publications and source records attributed to Linyi Yang.

At least 19 recordsLinked to original sources

Mechanist: AI as a Scientific Instrument for Discovering the Mechanisms of Intelligence

AI models are increasingly used in scientific discovery and human decision-making. Yet how AI models work and what risks they pose remain poorly understood. As AI development becomes faster and more automated, research on the mechanisms underlying AI remains largely manual. To bridge this gap, we introduce Mechanist, an agentic system that uses AI as a scientific instrument for the autonomous discovery of mechanisms underlying AI. To ground novel mechanism hypotheses, we construct a scientific knowledge graph of 13,000 studies on AI mechanisms, alongside a multidisciplinary database of 43 million papers spanning 26 fields. For reliable experiment execution, we curate a library of 32 foundational methods for mechanism analysis. Compared with Claude Code and existing AI-scientist systems, Mechanist generates higher-quality mechanism hypotheses and executes experiments more reliably. Across four case studies, Mechanist autonomously discovers new model behaviors and their underlying mechanisms, and translates these discoveries into mechanism-guided interventions and interdisciplinary design. Specifically, Mechanist first uncovers a counterintuitive safety risk in scientific laboratories, showing that unsafe traits can transfer to fine-tuned student models through apparently safe training data and emerge across modalities. Mechanist then develops a mechanism theory of belief, revealing how models represent world knowledge, form beliefs, infer the beliefs of others, and how these mechanisms emerge during pretraining. Building on this theory, Mechanist develops targeted interventions that improve model performance across diverse scenarios. Finally, Mechanist can also advance interdisciplinary discovery through mechanistic design, providing an alternative to the computationally intensive generate-and-rerank paradigm.

cs.AI

StatefulDiscovery: Evidence-Calibrated Claim Formation in Open-Ended Scientific Discovery

Open-ended scientific discovery asks agents to move beyond executing analyses for predefined questions. Across multiple rounds of exploration, a discovery agent must decide which phenomena warrant investigation while avoiding overinterpretation, where emerging claims exceed the evidential scope of the analyses. This creates an evidence-calibration problem: the exploration trajectory must be coupled with claim status so that evidence can guide both what to investigate next and what can be claimed. We introduce \textsc{StatefulDiscovery}, a discovery framework that externalizes investigation state and uses it to coordinate frontier selection, evidence acquisition, and claim adjudication. We evaluate \textsc{StatefulDiscovery} across 40 real-data discovery tasks. Compared with several baselines, \textsc{StatefulDiscovery} produces more claims overall judged to be both well-supported and high-value. Ablations indicate distinct roles for structured hypotheses, local adjudication, frontier control and persistent states. Together, these results suggest that explicit discovery state can couple exploration with evidence-calibrated claim formation. Our code is released at \href{https://github.com/SUSTech-GenAI/StatefulDiscovery.git}{https://github.com/SUSTech-GenAI/StatefulDiscovery.git}.

cs.AI

Notes2Skills: From Lab Notebooks to Certainty-Aware Scientific Agent Skills

Scientific discovery workflows usually contain and rely heavily on lab notes, where researchers record observations, interpret uncertain results, and plan follow-up experiments. Such informative lab notes preserve evolving scientific reasoning and author uncertainty, rather than polished final results exhibited in publications, providing a valuable opportunity for AI to engage in scientific exploration at a more comprehensive and deeper level. However, most prior work on scientific text focuses on papers, protocols, or structured databases, leaving informal laboratory notes underexplored as inputs to AI agents for science. This gap matters because lab notes often intermingle validated observations, tentative judgments, and possible experimental next steps within the same passage. If these signals are conflated, an AI agent may mistake uncertain scientific judgments for confirmed conclusions or executable actions. To this end, we present Notes2Skills, a two-stage framework for turning lab notebooks into verifiable skills for scientific AI agents while preserving the author's certainty. Across seven conditions and three wet-lab sessions, Notes2Skills is the only configuration that neither mistakes uncertain notes for firm instructions nor discards firm ones. We show that certainty preservation is the missing piece between lab notebooks and reliable agent skills, opening a path toward safer AI co-scientist systems.

cs.CL

PreAct-Bench: Benchmarking Predictive Monitoring in LLMs

Large language models (LLMs) are increasingly deployed as autonomous agents capable of executing multi-step action trajectories toward a given objective. While existing safety research has focused on detecting unethical behavior from complete trajectories, this paradigm is fundamentally retrospective: it identifies harm only after it has already occurred. In this work, we study a critical yet overlooked safety task, which we term Predictive Monitoring: given only a partial action trajectory, can a model infer whether it will culminate in an unethical action before the overt action is executed? To support this task, we present PreActBench, a benchmark of 1,000 paired ethical and unethical action trajectories spanning five domains. We evaluate a range of LLMs, safety guardrail models, and latent probing methods across varying fractions of the action trajectory using our Prefix Foresight F1 metric. Results show that while humans achieve promising performance, predictive monitoring remains challenging even for strong models, highlighting the need for future-oriented risk reasoning in LLM safety.

cs.LG

ReviewGuard: Aligning LLM-Assisted Peer Review with Long-Term Scientific Impact

Peer review is central to scientific quality control, yet it can undervalue papers that later achieve substantial citation impact. While frontier large language models have shown promise in automating aspects of peer review, they primarily mimic human reviewer preferences rather than predict long-term scientific value. We introduce ReviewGuard, a two-stage framework that aligns LLM-generated reviews with citation-based estimates of long-term scientific impact rather than contemporaneous reviewer judgments. On 20,861 AI/ML papers from OpenReview augmented with Semantic Scholar citation data, ReviewGuard achieves a Spearman correlation of \r{ho} = 0.776 with future citations on rejected-then-published papers, outperforming human reviewers (\r{ho} = 0.492) and a supervised Expert model (\r{ho} = 0.681). Under the same decision threshold, ReviewGuard flags 10.2% of high-impact rejected papers, compared with 1.8% for human reviewers, corresponding to a 5.6x improvement. Our results demonstrate that impact-aligned reinforcement learning can provide editors with a complementary signal for identifying high-potential work, without replacing human judgment.

cs.DL

SafeReview: Defending LLM-based Review Systems Against Adversarial Hidden Prompts

As Large Language Models (LLMs) are increasingly integrated into academic peer review, their vulnerability to adversarial hidden prompts, i.e., adversarial instructions embedded in submissions to manipulate outcomes, poses a critical threat to scholarly integrity. We propose SafeReview, a co-evolutionary adversarial training framework for defending LLM-based peer review systems against such attacks. SafeReview jointly trains a Generator model to create sophisticated attack prompts and a Defender model to preserve review integrity under adversarial manipulation. The Generator is optimized to produce increasingly effective prompt injections, while the Defender is strengthened through preference-based training to maintain consistent reviews between clean and attacked submissions. Experimental results show that SafeReview improves robustness against adaptive prompt injection attacks, better preserves paper ranking under attack, and generalizes across attacker architectures compared with static defenses. These results demonstrate the potential of co-evolutionary training as a foundation for securing LLM-assisted peer review.

cs.CL

CreativeBench: Benchmarking and Enhancing Machine Creativity via Self-Evolving Challenges

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets -- CreativeBench-Combo and CreativeBench-Explore -- the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

cs.AI

MemPot: Defending Against Memory Extraction Attack with Optimized Honeypots

Large Language Model (LLM)-based agents employ external and internal memory systems to handle complex, goal-oriented tasks, yet this exposes them to severe extraction attacks, and effective defenses remain lacking. In this paper, we propose MemPot, the first theoretically verified defense framework against memory extraction attacks by injecting optimized honeypots into the memory. Through a two-stage optimization process, MemPot generates trap documents that maximize the retrieval probability for attackers while remaining inconspicuous to benign users. We model the detection process as Wald's Sequential Probability Ratio Test (SPRT) and theoretically prove that MemPot achieves a lower average number of sampling rounds compared to optimal static detectors. Empirically, MemPot significantly outperforms state-of-the-art baselines, achieving a 50% improvement in detection AUROC and an 80% increase in True Positive Rate under low False Positive Rate constraints. Furthermore, our experiments confirm that MemPot incurs zero additional online inference latency and preserves the agent's utility on standard tasks, verifying its superiority in safety, harmlessness, and efficiency.

cs.CR

AMA: Adaptive Memory via Multi-Agent Collaboration

The rapid evolution of Large Language Model (LLM) agents has necessitated robust memory systems to support cohesive long-term interaction and complex reasoning. Benefiting from the strong capabilities of LLMs, recent research focus has shifted from simple context extension to the development of dedicated agentic memory systems. However, existing approaches typically rely on rigid retrieval granularity, accumulation-heavy maintenance strategies, and coarse-grained update mechanisms. These design choices create a persistent mismatch between stored information and task-specific reasoning demands, while leading to the unchecked accumulation of logical inconsistencies over time. To address these challenges, we propose Adaptive Memory via Multi-Agent Collaboration (AMA), a novel framework that leverages coordinated agents to manage memory across multiple granularities. AMA employs a hierarchical memory design that dynamically aligns retrieval granularity with task complexity. Specifically, the Constructor and Retriever jointly enable multi-granularity memory construction and adaptive query routing. The Judge verifies the relevance and consistency of retrieved content, triggering iterative retrieval when evidence is insufficient or invoking the Refresher upon detecting logical conflicts. The Refresher then enforces memory consistency by performing targeted updates or removing outdated entries. Extensive experiments on challenging long-context benchmarks show that AMA significantly outperforms state-of-the-art baselines while reducing token consumption by approximately 80% compared to full-context methods, demonstrating its effectiveness in maintaining retrieval precision and long-term memory consistency.

cs.AI

Jailbreaking Attacks vs. Content Safety Filters: How Far Are We in the LLM Safety Arms Race?

As large language models (LLMs) are increasingly deployed, ensuring their safe use is paramount. Jailbreaking, adversarial prompts that bypass model alignment to trigger harmful outputs, present significant risks, with existing studies reporting high success rates in evading common LLMs. However, previous evaluations have focused solely on the models, neglecting the full deployment pipeline, which typically incorporates additional safety mechanisms like content moderation filters. To address this gap, we present the first systematic evaluation of jailbreak attacks targeting LLM safety alignment, assessing their success across the full inference pipeline, including both input and output filtering stages. Our findings yield two key insights: first, nearly all evaluated jailbreak techniques can be detected by at least one safety filter, suggesting that prior assessments may have overestimated the practical success of these attacks; second, while safety filters are effective in detection, there remains room to better balance recall and precision to further optimize protection and user experience. We highlight critical gaps and call for further refinement of detection accuracy and usability in LLM safety systems.

cs.CR

See-Control: A Multimodal Agent Framework for Smartphone Interaction with a Robotic Arm

Recent advances in Multimodal Large Language Models (MLLMs) have enabled their use as intelligent agents for smartphone operation. However, existing methods depend on the Android Debug Bridge (ADB) for data transmission and action execution, limiting their applicability to Android devices. In this work, we introduce the novel Embodied Smartphone Operation (ESO) task and present See-Control, a framework that enables smartphone operation via direct physical interaction with a low-DoF robotic arm, offering a platform-agnostic solution. See-Control comprises three key components: (1) an ESO benchmark with 155 tasks and corresponding evaluation metrics; (2) an MLLM-based embodied agent that generates robotic control commands without requiring ADB or system back-end access; and (3) a richly annotated dataset of operation episodes, offering valuable resources for future research. By bridging the gap between digital agents and the physical world, See-Control provides a concrete step toward enabling home robots to perform smartphone-dependent tasks in realistic environments.

cs.AI

Probing the "Psyche'' of Large Reasoning Models: Understanding Through a Human Lens

Large reasoning models (LRMs) have garnered significant attention from researchers owing to their exceptional capability in addressing complex tasks. Motivated by the observed human-like behaviors in their reasoning processes, this paper introduces a comprehensive taxonomy to characterize atomic reasoning steps and probe the ``psyche'' of LRM intelligence. Specifically, it comprises five groups and seventeen categories derived from human mental processes, thereby grounding the understanding of LRMs in an interdisciplinary perspective. The taxonomy is then applied for an in-depth understanding of current LRMs, resulting in a distinct labeled dataset that comprises 277,534 atomic reasoning steps. Using this resource, we analyze contemporary LRMs and distill several actionable takeaways for improving training and post-training of reasoning models. Notably, our analysis reveals that prevailing post-answer ``double-checks'' (self-monitoring evaluations) are largely superficial and rarely yield substantive revisions. Thus, incentivizing comprehensive multi-step reflection, rather than simple self-monitoring, may offer a more effective path forward. To complement the taxonomy, an automatic annotation framework, named CAPO, is proposed to leverage large language models (LLMs) for generating the taxonomy-based annotations. Experimental results demonstrate that CAPO achieves higher consistency with human experts compared to baselines, facilitating a scalable and comprehensive analysis of LRMs from a human cognitive perspective. Together, the taxonomy, CAPO, and the derived insights provide a principled, scalable path toward understanding and advancing LRM reasoning.

cs.AI

ResearStudio: A Human-Intervenable Framework for Building Controllable Deep-Research Agents

Current deep-research agents run in a ''fire-and-forget'' mode: once started, they give users no way to fix errors or add expert knowledge during execution. We present ResearStudio, the first open-source framework that places real-time human control at its core. The system follows a Collaborative Workshop design. A hierarchical Planner-Executor writes every step to a live ''plan-as-document,'' a fast communication layer streams each action, file change, and tool call to a web interface. At any moment, the user can pause the run, edit the plan or code, run custom commands, and resume -- switching smoothly between AI-led, human-assisted and human-led, AI-assisted modes. In fully autonomous mode, ResearStudio achieves state-of-the-art results on the GAIA benchmark, surpassing systems like OpenAI's DeepResearch and Manus. These results show that strong automated performance and fine-grained human control can coexist. The full code, protocol, and evaluation scripts are available at https://github.com/ResearAI/ResearStudio. We will continue to update the repository to encourage further work on safe and controllable research agents. Our live demo is publicly accessible at http://ai-researcher.net:3000/. We support the development of DeepScientist, which can be accessed at https://github.com/ResearAI/DeepScientist.

cs.AI

Refusal Falls off a Cliff: How Safety Alignment Fails in Reasoning?

Large reasoning models (LRMs) with multi-step reasoning capabilities have shown remarkable problem-solving abilities, yet they exhibit concerning safety vulnerabilities that remain poorly understood. In this work, we investigate why safety alignment fails in reasoning models through a mechanistic interpretability lens. Using a linear probing approach to trace refusal intentions across token positions, we discover a striking phenomenon termed as \textbf{refusal cliff}: many poorly-aligned reasoning models correctly identify harmful prompts and maintain strong refusal intentions during their thinking process, but experience a sharp drop in refusal scores at the final tokens before output generation. This suggests that these models are not inherently unsafe; rather, their refusal intentions are systematically suppressed. Through causal intervention analysis, we identify a sparse set of attention heads that negatively contribute to refusal behavior. Ablating just 3\% of these heads can reduce attack success rates below 10\%. Building on these mechanistic insights, we propose \textbf{Cliff-as-a-Judge}, a novel data selection method that identifies training examples exhibiting the largest refusal cliff to efficiently repair reasoning models' safety alignment. This approach achieves comparable safety improvements using only 1.7\% of the vanilla safety training data, demonstrating a less-is-more effect in safety alignment.

cs.AI

Interactive Learning for LLM Reasoning

Existing multi-agent learning approaches have developed interactive training environments to explicitly promote collaboration among multiple Large Language Models (LLMs), thereby constructing stronger multi-agent systems (MAS). However, during inference, they require re-executing the MAS to obtain final solutions, which diverges from human cognition that individuals can enhance their reasoning capabilities through interactions with others and resolve questions independently in the future. To investigate whether multi-agent interaction can enhance LLMs' independent problem-solving ability, we introduce ILR, a novel co-learning framework for MAS that integrates two key components: Dynamic Interaction and Perception Calibration. Specifically, Dynamic Interaction first adaptively selects either cooperative or competitive strategies depending on question difficulty and model ability. LLMs then exchange information through Idea3, an innovative interaction paradigm designed to mimic human discussion, before deriving their respective final answers. In Perception Calibration, ILR employs Group Relative Policy Optimization (GRPO) to train LLMs while integrating one LLM's reward distribution characteristics into another's reward function, thereby enhancing the cohesion of multi-agent interactions. We evaluate the effectiveness of ILR across three LLMs from two model families of varying scales on five mathematical, one coding, one general question answering, and one scientific reasoning benchmarks. Experimental results show that ILR consistently outperforms single-agent learning, yielding an improvement of up to 5% over the strongest baseline. We further discover that Idea3 can enhance the robustness of stronger LLMs during multi-agent inference, and dynamic interaction types can boost multi-agent learning compared to pure cooperative or competitive strategies.

cs.AI

Anchored Supervised Fine-Tuning

Post-training of large language models involves a fundamental trade-off between supervised fine-tuning (SFT), which efficiently mimics demonstrations but tends to memorize, and reinforcement learning (RL), which achieves better generalization at higher computational cost. Dynamic Fine-Tuning (DFT) recently emerged as a promising middle ground, reweighting SFT objectives with token probabilities and achieving improvements in certain reasoning domains, though it exhibits instability in other tasks. We provide a analysis of DFT through the reward-weighted regression (RWR) framework, revealing that it corresponds to a specific auxiliary distribution choice that yields provably tighter RL bounds than standard SFT. However, our analysis also uncovers a critical limitation: this construction lacks distributional anchoring, leading to progressive drift that undermines training stability. To address this, we propose Anchored Supervised Fine-Tuning (ASFT), which augments DFT's reweighting with lightweight KL regularization to preserve tightness while ensuring stability. Empirically, ASFT consistently outperforms both SFT and DFT across mathematical reasoning, medical knowledge grounding, and code generation, achieving substantial improvements with minimal computational overhead. Our RWR framework provides a systematic lens for understanding post-training methods and demonstrates that principled theoretical analysis leads to both stronger guarantees and practical gains. The code is available at https://github.com/zhuchichi56/ASFT.

cs.LG

Memento: Fine-tuning LLM Agents without Fine-tuning LLMs

In this paper, we introduce a novel learning paradigm for Adaptive Large Language Model (LLM) agents that eliminates the need for fine-tuning the underlying LLMs. Existing approaches are often either rigid, relying on static, handcrafted reflection workflows, or computationally intensive, requiring gradient updates of LLM model parameters. In contrast, our method enables low-cost continual adaptation via memory-based online reinforcement learning. We formalise this as a Memory-augmented Markov Decision Process (M-MDP), equipped with a neural case-selection policy to guide action decisions. Past experiences are stored in an episodic memory, either differentiable or non-parametric. The policy is continually updated based on environmental feedback through a memory rewriting mechanism, whereas policy improvement is achieved through efficient memory reading (retrieval). We instantiate our agent model in the deep research setting, namely \emph{Memento}, which attains top-1 on GAIA validation ($87.88\%$ Pass@$3$) and $79.40\%$ on the test set. It reaches $66.6\%$ F1 and $80.4\%$ PM on the DeepResearcher dataset, outperforming the state-of-the-art training-based method, while case-based memory adds $4.7\%$ to $9.6\%$ absolute points on out-of-distribution tasks. Our approach offers a scalable and efficient pathway for developing generalist LLM agents capable of continuous, real-time learning without gradient updates, advancing machine learning towards open-ended skill acquisition and deep research scenarios. The code is available at https://github.com/Agent-on-the-Fly/Memento.

cs.LG

How Far Are AI Scientists from Changing the World?

The emergence of large language models (LLMs) is propelling automated scientific discovery to the next level, with LLM-based Artificial Intelligence (AI) Scientist systems now taking the lead in scientific research. Several influential works have already appeared in the field of AI Scientist systems, with AI-generated research papers having been accepted at the ICLR 2025 workshop, suggesting that a human-level AI Scientist capable of uncovering phenomena previously unknown to humans, may soon become a reality. In this survey, we focus on the central question: How far are AI scientists from changing the world and reshaping the scientific research paradigm? To answer this question, we provide a prospect-driven review that comprehensively analyzes the current achievements of AI Scientist systems, identifying key bottlenecks and the critical components required for the emergence of a scientific agent capable of producing ground-breaking discoveries that solve grand challenges. We hope this survey will contribute to a clearer understanding of limitations of current AI Scientist systems, showing where we are, what is missing, and what the ultimate goals for scientific AI should be.

cs.AI