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Huan Sun

Publications and source records attributed to Huan Sun.

At least 19 recordsLinked to original sources
arXiv2026

Can Language Model Agents be Helpful Circuit Explainers in Mechanistic Interpretability?

Mechanistic interpretability has made substantial progress in automatically localizing circuits, but explaining what localized components do remains labor-intensive and difficult to standardize. In this work, we study whether language model (LM) agents can assist with this explanation problem once a circuit has already been identified. We introduce AgenticInterpBench, a benchmark for circuit explanation built from 84 semi-synthetic transformer circuits with 163 component-level annotations. We propose HyVE (Hypothesize, Validate, Explain), an agentic explainer that analyzes each component through an iterative loop of observation, hypothesis generation, and causal validation, eventually producing a component-level explanation and a circuit-level task description. Across four LM backbones, HyVE recovers useful component- and task-level explanations, but no backbone is uniformly best. Our analysis shows that strong backbones usually form observation-grounded hypotheses, while failures more often arise later in the validation loop, through incomplete validation plans, code execution errors, or unresolved hypotheses. A case study on an arithmetic circuit in Llama-3-8B shows that the same formulation can extend beyond semi-synthetic benchmarks to naturally trained models. Overall, LM agents are promising circuit explainers, but reliable validation remains the key obstacle.

cs.AI↗
arXiv2026

AgentCL: Toward Rigorous Evaluation of Continual Learning in Language Agents

Language agents spend substantial inference time solving individual tasks, yet the experience acquired in one episode is often underutilized in future episodes. Continual learning expects an agent to accumulate reusable experience across a stream of tasks, improve over time, and avoid interference from irrelevant experiences. Unfortunately, existing benchmarks struggle to evaluate continual learning in language agents rigorously. Most efforts focus on retrieval and reasoning over long-context conversations or documents, while recent lifelong-adaptation benchmarks often rely on naive task streams with limited analysis of cross-task relationships, making it difficult to understand what an agent learns and reuses over time. This paper presents an evaluation framework AgentCL for continual learning in agents, centered on controlled task streams and metrics for transfer gains. AgentCL constructs compositional streams where earlier sub-solutions, evidence, or workflows are intentionally reusable in later tasks, and contrasts them with naive streams where such reusability is not guaranteed. We use the benchmark to evaluate non-parametric memory designs for continual learning. To diagnose how memory design choices affect continual learning, we develop MemProbe, a probing method that stores interactions, insights, and skills, while filtering unreliable experiences during consolidation. Empirical analysis across coding, deep research, and language understanding/reasoning tasks shows that naive streams offer limited ability to distinguish memory designs, whereas controlled streams more clearly distinguish their plasticity. Meanwhile, naive and held-out settings often yield limited gains and can expose memory-induced degradation. These results highlight the need for stronger memory designs that balance plasticity and stable reuse.

cs.AI↗
arXiv2026

SkillHarm: Lifecycle-Aware Skill-Based Attacks via Automated Construction

Agent skills occupy a privileged position in the agent workflow, as agents are expected to implicitly follow and execute them, rendering third-party skills a vulnerable attack surface. Existing studies have revealed unsafe agent behaviors induced by skill-based attacks, but they primarily evaluate poisoned skills within a single task execution and enumerate harms through ad-hoc risk lists. To bridge these gaps, we introduce SkillHarm, a benchmark of skill-based attacks across the skill-use lifecycle, paired with a systematic taxonomy of skill-relevant risks. SkillHarm evaluates two attack scenarios: Fixed-Payload Poisoning (FPP), where a fixed poisoned skill package directly compromises any task session that invokes it, and Self-Mutating Poisoning (SMP), where an initially benign execution silently mutates persistent skill content, deferring harm until a subsequent reuse. It further defines 12 risk types based on the agent workflow component targeted by the harm: data pipelines, system environments, and agent autonomy. To instantiate these attacks at scale, we build AutoSkillHarm, an automated construction pipeline with coding agents driven by natural-language harnesses. The resulting benchmark contains 879 attack samples across 71 skills. Experiments show that current agents remain vulnerable with attack success rates up to 86.3% in FPP and 69.3% in SMP. Our analysis further reveals a latent risk: many apparent attack failures stem from the agent failing to engage with the poisoned file rather than genuine resistance, and current defenses still fail to reliably mitigate the threat.

cs.CL↗
arXiv2026

QUEST: Training Frontier Deep Research Agents with Fully Synthetic Tasks

Deep research agents extend the role of search engines from retrieving keyword-matched pages to synthesizing knowledge, fundamentally changing how humans interact with information. However, frontier systems remain proprietary, while existing open agents often generalize poorly across different task types, leaving unclear how to train a broadly capable deep research agent. We release QUEST, a family of open models (ranging from 2B to 35B) that serve as general-purpose deep research agents designed to handle a wide range of long-horizon search tasks, with strong capabilities in fact seeking, citation grounding, and report synthesis. To build QUEST, we propose an effective training recipe combining mid-training, supervised fine-tuning, and reinforcement learning. Central to this recipe is a curated data synthesis pipeline based on unified rubric trees, which applies to different task types and enables synthesizing training data with verifiable rewards without human annotation. In addition, QUEST incorporates a built-in context management mechanism that enables effective long-horizon reasoning and knowledge synthesis. Using only 8K synthesized tasks, QUEST approaches or even surpasses frontier closed-source agents across eight deep research benchmarks spanning diverse task types, and achieves the best overall performance among recent open-weight agents. We released everything: models, data, and training scripts.

cs.CL↗
arXiv2026

D3-Gym: Constructing Real-World Verifiable Environments for Data-Driven Discovery

Despite recent progress in language models and agents for scientific data-driven discovery, advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises 565 tasks from 239 real scientific repositories across four disciplines, each with a natural language instruction, an executable environment with pre-installed dependencies, dataset previews, a reference solution, and an automatically synthesized evaluation script. Our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic. Training on trajectories sampled from D3-Gym yields consistent gains across Qwen3 models on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and shrinking the gap with strong proprietary models. We further illustrate, through case studies, how D3-Gym environments can serve as a testbed for studying agentic optimization loops such as Autoresearch on real scientific workflows. We open-source D3-Gym, its creation workflow, sampled trajectories, and training scripts at https://github.com/OSU-NLP-Group/D3-Gym.

cs.AI↗
arXiv2026

Loop, Think, & Generalize: Implicit Reasoning in Recurrent-Depth Transformers

We study implicit reasoning, i.e. the ability to combine knowledge or rules within a single forward pass. While transformer-based large language models store substantial factual knowledge and rules, they often fail to compose this knowledge for implicit multi-hop reasoning, suggesting a lack of compositional generalization over their parametric knowledge. To address this limitation, we study recurrent-depth transformers, which enables iterative computation over the same transformer layers. We investigate two compositional generalization challenges under the implicit reasoning scenario: systematic generalization, i.e. combining knowledge that is never used for compositions during training, and depth extrapolation, i.e. generalizing from limited reasoning depth (e.g. training on up to 5-hop) to deeper compositions (e.g. 10-hop). Through controlled studies with models trained from scratch, we show that while vanilla transformers struggle with both generalization challenges, recurrent-depth transformers can effectively make such generalization. For systematic generalization, we find that this ability emerges through a three-stage grokking process, transitioning from memorization to in-distribution generalization and finally to systematic generalization, supported by mechanistic analysis. For depth extrapolation, we show that generalization beyond training depth can be unlocked by scaling inference-time recurrence, with more iterations enabling deeper reasoning. We further study how training strategies affect extrapolation, providing guidance on training recurrent-depth transformers, and identify a key limitation, overthinking, where excessive recurrence degrades predictions and limits generalization to very deep compositions.

cs.CL↗
arXiv2026

MMORF: A Multi-agent Framework for Designing Multi-objective Retrosynthesis Planning Systems

Multi-objective retrosynthesis planning is a critical chemistry task requiring dynamic balancing of quality, safety, and cost objectives. Language model-based multi-agent systems (MAS) offer a promising approach for this task: leveraging interactions of specialized agents to incorporate multiple objectives into retrosynthesis planning. We present MMORF, a framework for constructing MAS for multi-objective retrosynthesis planning. MMORF features modular agentic components, which can be flexibly combined and configured into different systems, enabling principled evaluation and comparison of different system designs. Using MMORF, we construct two representative MAS: MASIL and RFAS. On a newly curated benchmark consisting of 218 multi-objective retrosynthesis planning tasks, MASIL achieves strong safety and cost metrics on soft-constraint tasks, frequently Pareto-dominating baseline routes, while RFAS achieves a 48.6% success rate on hard-constraint tasks, outperforming state-of-the-art baselines. Together, these results show the effectiveness of MMORF as a foundational framework for exploring MAS for multi-objective retrosynthesis planning. Code and data are available at https://anonymous.4open.science/r/MMORF/.

cs.AI↗
arXiv2026

Emergent Risks in Generative Multi-Agent Systems

Multi-agent systems composed of large generative models are rapidly moving from laboratory prototypes to real-world deployments, where they jointly plan, negotiate, and allocate shared resources to solve complex tasks. While such systems promise unprecedented scalability and autonomy, their collective interaction also gives rise to failure modes that cannot be reduced to individual agents. Understanding these emergent risks is therefore critical. Here, we present a pioneer study of such emergent multi-agent risk in workflows that involve competition over shared resources (e.g., computing resources or market share), sequential handoff collaboration (where downstream agents see only predecessor outputs), collective decision aggregation, and others. Across these settings, we observe that such group behaviors arise frequently across repeated trials and a wide range of interaction conditions, rather than as rare or pathological cases. In particular, phenomena such as collusion-like coordination and conformity emerge with non-trivial frequency under realistic resource constraints, communication protocols, and role assignments, mirroring well-known pathologies in human societies despite no explicit instruction. Moreover, these risks cannot be prevented by existing agent-level safeguards alone. These findings expose the dark side of intelligent multi-agent systems: a social intelligence risk where agent collectives, despite no instruction to do so, spontaneously reproduce familiar failure patterns from human societies.

cs.MA↗
arXiv2026

EvoSchema: Towards Text-to-SQL Robustness Against Schema Evolution

Neural text-to-SQL models, which translate natural language questions (NLQs) into SQL queries given a database schema, have achieved remarkable performance. However, database schemas frequently evolve to meet new requirements. Such schema evolution often leads to performance degradation for models trained on static schemas. Existing work either mainly focuses on simply paraphrasing some syntactic or semantic mappings among NLQ, DB and SQL, or lacks a comprehensive and controllable way to investigate the model robustness issue under the schema evolution, which is insufficient when facing the increasingly complex and rich database schema changes in reality, especially in the LLM era. To address the challenges posed by schema evolution, we present EvoSchema, a comprehensive benchmark designed to assess and enhance the robustness of text-to-SQL systems under real-world schema changes. EvoSchema introduces a novel schema evolution taxonomy, encompassing ten perturbation types across columnlevel and table-level modifications, systematically simulating the dynamic nature of database schemas. Through EvoSchema, we conduct an in-depth evaluation spanning different open source and closed-source LLMs, revealing that table-level perturbations have a significantly greater impact on model performance compared to column-level changes. Furthermore, EvoSchema inspires the development of more resilient text-to-SQL systems, in terms of both model training and database design. The models trained on EvoSchema's diverse schema designs can force the model to distinguish the schema difference for the same questions to avoid learning spurious patterns, which demonstrate remarkable robustness compared to those trained on unperturbed data on average. This benchmark offers valuable insights into model behavior and a path forward for designing systems capable of thriving in dynamic, real-world environments.

cs.DB↗
arXiv2026

SciNav: A General Agent Framework for Scientific Coding Tasks

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs that are difficult to evaluate. Scientific coding benchmarks, by contrast, provide executable outputs for objective assessment. Existing approaches remain engineering-driven pipelines, revealing the need for structured, end-to-end science agent frameworks for scientific coding tasks. We address this gap by focusing on scientific coding tasks, where evaluation can be made rigorously, and introducing an agent framework SciNav (Scientific Navigator) that enables more effective solution exploration. Our framework is designed to operate under constrained search budgets, moving beyond reliance on pre-defined success metrics and prolonged search cycles. Inspired by findings that comparative judgments often reveal finer-grained quality differences and therefore provide greater discriminative power than absolute scoring, our framework leverages pairwise relative judgments within a tree search process to select top-K promising solution branches, prune low-potential ones, and progressively narrow down the solution candidates on the selected branches guided by relative comparisons. We demonstrate our agent's effectiveness across different types of tasks on two benchmarks. Experiments show that SciNav significantly outperforms direct prompting and prior agents like OpenHands and Self-Debug across different base models, task types, and difficulty levels, and exceeds different frontier comparators such as random selection and LLM absolute scoring. These results confirm the strength of our agent design and highlight the effectiveness of relative judgment-guided top-K search for high-quality scientific coding, marking a step toward more practical science agents.

cs.CL↗
arXiv2026

REMem: Reasoning with Episodic Memory in Language Agent

Humans excel at remembering concrete experiences along spatiotemporal contexts and performing reasoning across those events, i.e., the capacity for episodic memory. In contrast, memory in language agents remains mainly semantic, and current agents are not yet capable of effectively recollecting and reasoning over interaction histories. We identify and formalize the core challenges of episodic recollection and reasoning from this gap, and observe that existing work often overlooks episodicity, lacks explicit event modeling, or overemphasizes simple retrieval rather than complex reasoning. We present REMem, a two-phase framework for constructing and reasoning with episodic memory: 1) Offline indexing, where REMem converts experiences into a hybrid memory graph that flexibly links time-aware gists and facts. 2) Online inference, where REMem employs an agentic retriever with carefully curated tools for iterative retrieval over the memory graph. Comprehensive evaluation across four episodic memory benchmarks shows that REMem substantially outperforms state-of-the-art memory systems such as Mem0 and HippoRAG 2, showing 3.4% and 13.4% absolute improvements on episodic recollection and reasoning tasks, respectively. Moreover, REMem also demonstrates more robust refusal behavior for unanswerable questions.

cs.AI↗
arXiv2026

Autonomous Continual Learning for Environment Adaptation of Computer-Use Agents

Real-world digital environments are highly diverse and dynamic. These characteristics cause agents to frequently encounter unseen environments and distribution shifts, making continual learning in such environments essential for computer-use agents (CUAs). However, a key challenge lies in obtaining high-quality and environment-grounded training data without relying on costly human annotation. In this work, we introduce ACuRL, an Autonomous Curriculum Reinforcement Learning framework that continually adapts agents to specific environments with zero human data. The agent first explores an environment to acquire initial experiences. During subsequent iterative training, a curriculum task generator leverages these experiences together with feedback from the previous iteration to synthesize new tasks tailored for the agent's current capabilities. To provide reliable reward signals, we introduce CUAJudge, a robust automatic evaluator for CUAs that achieves 93% agreement with human judgments. Empirically, our method effectively enables both intra-environment and cross-environment continual learning, yielding 3-29% absolute performance gains on the target environments without catastrophic forgetting on others. We also show that it can mitigate performance degradation under environment changes (e.g., version updates, platform migration, and resolution shifts). Further analyses show highly sparse updates (e.g., only 20% parameters), which helps explain the effective and robust adaptation.

cs.CL↗
arXiv2026

When Benign Inputs Lead to Severe Harms: Eliciting Unsafe Unintended Behaviors of Computer-Use Agents

Although computer-use agents (CUAs) hold significant potential to automate increasingly complex OS workflows, they can demonstrate unsafe unintended behaviors that deviate from expected outcomes even under benign input contexts. However, exploration of this risk remains largely anecdotal, lacking concrete characterization and automated methods to proactively surface long-tail unintended behaviors under realistic CUA scenarios. To fill this gap, we introduce the first conceptual and methodological framework for unintended CUA behaviors, by defining their key characteristics, automatically eliciting them, and analyzing how they arise from benign inputs. We propose AutoElicit: an agentic framework that iteratively perturbs benign instructions using CUA execution feedback, and elicits severe harms while keeping perturbations realistic and benign. Using AutoElicit, we surface hundreds of harmful unintended behaviors from state-of-the-art CUAs such as Claude 4.5 Haiku, Claude 4.5 Opus, and Operator. We further evaluate the transferability of human-verified successful perturbations, identifying persistent susceptibility to unintended behaviors across various other frontier CUAs. This work establishes a foundation for systematically analyzing unintended behaviors in realistic computer-use settings.

cs.CL↗
arXiv2026

When Actions Go Off-Task: Detecting and Correcting Misaligned Actions in Computer-Use Agents

Computer-use agents (CUAs) have made tremendous progress in the past year, yet they still frequently produce misaligned actions that deviate from the user's original intent. Such misaligned actions may arise from external attacks (e.g., indirect prompt injection) or from internal limitations (e.g., erroneous reasoning). They not only expose CUAs to safety risks, but also degrade task efficiency and reliability. This work makes the first effort to define and study misaligned action detection in CUAs, with comprehensive coverage of both externally induced and internally arising misaligned actions. We further identify three common categories in real-world CUA deployment and construct MisActBench, a benchmark of realistic trajectories with human-annotated, action-level alignment labels. Moreover, we propose DeAction, a practical and universal guardrail that detects misaligned actions before execution and iteratively corrects them through structured feedback. DeAction outperforms all existing baselines across offline and online evaluations with moderate latency overhead: (1) On MisActBench, it outperforms baselines by over 15% absolute in F1 score; (2) In online evaluation, it reduces attack success rate by over 90% under adversarial settings while preserving or even improving task success rate in benign environments.

cs.CL↗
arXiv2026

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

Current chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) to solve complex reasoning problems. However, forcing nonverbal tacit chemical logic into discrete natural language imposes a fundamental ``modality mismatch,'' creating an artificial bottleneck for reasoning. We introduce LatentChem, a reasoning interface that decouples chemical logic from linguistic generation, enabling the model to process information via continuous thought vectors and dynamic perception. Our investigation reveals a pivotal emergent behavior: spontaneous internalization, defined here as self-selected under outcome-only optimization. When optimized for task success, the model abandons verbose textual derivations in favor of implicit latent computation, suggesting that it identifies the continuous manifold as a more native substrate for chemical logic. This paradigm shift also proves to be a superior computational strategy: LatentChem achieves a 59.88\% non-tie win rate against the strong CoT baseline on the rigorous ChemCoTBench, while delivering a broad 10.84$\times$ average reduction in reasoning step overhead (5.96$\times$ wall-clock speedup) across all evaluated benchmarks. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.

physics.chem-ph↗
arXiv2026

Bridging Online and Offline RL: Contextual Bandit Learning for Multi-Turn Code Generation

Recently, there have been significant research interests in training large language models (LLMs) with reinforcement learning (RL) on real-world tasks, such as multi-turn code generation. While online RL tends to perform better than offline RL, its higher training cost and instability hinders wide adoption. In this paper, we build on the observation that multi-turn code generation can be formulated as a one-step recoverable Markov decision process and propose contextual bandit learning with offline trajectories (Cobalt), a new method that combines the benefits of online and offline RL. Cobalt first collects code generation trajectories using a reference LLM and divides them into partial trajectories as contextual prompts. Then, during online bandit learning, the LLM is trained to complete each partial trajectory prompt through single-step code generation. Cobalt outperforms two multi-turn online RL baselines based on GRPO and VeRPO, and substantially improves R1-Distill 8B and Qwen3 8B by up to 9.0 and 6.2 absolute Pass@1 scores on LiveCodeBench. Also, we analyze LLMs' in-context reward hacking behaviors and augment Cobalt training with perturbed trajectories to mitigate this issue. Overall, our results demonstrate Cobalt as a promising solution for iterative decision-making tasks like multi-turn code generation. Our code and data are available at https://github.com/OSU-NLP-Group/cobalt.

cs.LG↗
arXiv2025

Accelerating Scientific Discovery with Autonomous Goal-evolving Agents

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these objectives may only be imperfect proxies. We argue that automating objective function design is a central, yet unmet need for scientific discovery agents. In this work, we introduce the Scientific Autonomous Goal-evolving Agent (SAGA) to address this challenge. SAGA employs a bi-level architecture in which an outer loop of LLM agents analyzes optimization outcomes, proposes new objectives, and converts them into computable scoring functions, while an inner loop performs solution optimization under the current objectives. This bi-level design enables systematic exploration of the space of objectives and their trade-offs, rather than treating them as fixed inputs. We demonstrate the framework through a wide range of design applications, including antibiotics, nanobodies, functional DNA sequences, inorganic materials, and chemical processes. Notably, our experimental validation identifies a structurally novel hit with promising potency and safety profiles for E. coli in the antibiotic design task, and three de novo PD-L1 binders in the nanobody design task. These results suggest that automating objective formulation can substantially improve the effectiveness of scientific discovery agents.

cs.AI↗
arXiv2025

Evaluating Large Language Models in Scientific Discovery

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation that drive scientific discovery. We introduce a scenario-grounded benchmark that evaluates LLMs across biology, chemistry, materials, and physics, where domain experts define research projects of genuine interest and decompose them into modular research scenarios from which vetted questions are sampled. The framework assesses models at two levels: (i) question-level accuracy on scenario-tied items and (ii) project-level performance, where models must propose testable hypotheses, design simulations or experiments, and interpret results. Applying this two-phase scientific discovery evaluation (SDE) framework to state-of-the-art LLMs reveals a consistent performance gap relative to general science benchmarks, diminishing return of scaling up model sizes and reasoning, and systematic weaknesses shared across top-tier models from different providers. Large performance variation in research scenarios leads to changing choices of the best performing model on scientific discovery projects evaluated, suggesting all current LLMs are distant to general scientific "superintelligence". Nevertheless, LLMs already demonstrate promise in a great variety of scientific discovery projects, including cases where constituent scenario scores are low, highlighting the role of guided exploration and serendipity in discovery. This SDE framework offers a reproducible benchmark for discovery-relevant evaluation of LLMs and charts practical paths to advance their development toward scientific discovery.

cs.AI↗