arXiv subjects

Heng Ji

Publications and source records attributed to Heng Ji.

At least 91 records · Page 5Linked to original sources

arXiv2026

A Rubric-Supervised Critic from Sparse Real-World Outcomes

Academic benchmarks for coding agents tend to reward autonomous task completion, measured by verifiable rewards such as unit-test success. In contrast, real-world coding agents operate with humans in the loop, where success signals are typically noisy, delayed, and sparse. How can we bridge this gap? In this paper, we propose a process to learn a "critic" model from sparse and noisy interaction data, which can then be used both as a reward model for either RL-based training or inference-time scaling. Specifically, we introduce Critic Rubrics, a rubric-based supervision framework with 24 behavioral features that can be derived from human-agent interaction traces alone. Using a semi-supervised objective, we can then jointly predict these rubrics and sparse human feedback (when present). In experiments, we demonstrate that, despite being trained primarily from trace-observable rubrics and sparse real-world outcome proxies, these critics improve best-of-N reranking on SWE-bench (Best@8 +15.9 over Random@8 over the rerankable subset of trajectories), enable early stopping (+17.7 with 83% fewer attempts), and support training-time data curation via critic-selected trajectories.

cs.AI↗

arXiv2026

mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. Experiments on FDA-approved drugs showed that mCLM is capable of significantly improving chemical functions. mCLM, with only 3B parameters, also achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

cs.AI↗

arXiv2026

Protein Language Models Diverge from Natural Language: Comparative Analysis and Improved Inference

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key differences from natural language, such as a rich functional space despite a vocabulary of only 20 amino acids. These differences motivate research into how transformer-based architectures operate differently in the protein domain and how we can better leverage PLMs to solve protein-related tasks. In this work, we begin by directly comparing how the distribution of information stored across layers of attention heads differs between the protein and natural language domain. Furthermore, we adapt a simple early-exit technique-originally used in the natural language domain to improve efficiency at the cost of performance-to achieve both increased accuracy and substantial efficiency gains in protein non-structural property prediction by allowing the model to automatically select protein representations from the intermediate layers of the PLMs for the specific task and protein at hand. We achieve performance gains ranging from 0.4 to 7.01 percentage points while simultaneously improving efficiency by over 10 percent across models and non-structural prediction tasks. Our work opens up an area of research directly comparing how language models change behavior when moved into the protein domain and advances language modeling in biological domains.

cs.LG↗

arXiv2026

Tool-R0: Self-Evolving LLM Agents for Tool-Learning from Zero Data

Large language models (LLMs) are becoming the foundation for autonomous agents that can use tools to solve complex tasks. Reinforcement learning (RL) has emerged as a common approach for injecting such agentic capabilities, but typically under tightly controlled training setups. It often depends on carefully constructed task-solution pairs and substantial human supervision, which creates a fundamental obstacle to open-ended self-evolution toward superintelligent systems. In this paper, we propose Tool-R0 framework for training general purpose tool-calling agents from scratch with self-play RL, under a zero-data assumption. Initialized from the same base LLM, Tool-R0 co-evolves a Generator and a Solver with complementary rewards: one proposes targeted challenging tasks at the other's competence frontier and the other learns to solve them with real-world tool calls. This creates a self-evolving cycle that requires no pre-existing tasks or datasets. Evaluation on different tool-use benchmarks show that Tool-R0 yields 92.5 relative improvement over the base model and surpasses fully supervised tool-calling baselines under the same setting. Our work further provides empirical insights into self-play LLM agents by analyzing co-evolution, curriculum dynamics, and scaling behavior.

cs.LG↗

arXiv2026

BEAT: Visual Backdoor Attacks on VLM-based Embodied Agents via Contrastive Trigger Learning

Recent advances in Vision-Language Models (VLMs) have propelled embodied agents by enabling direct perception, reasoning, and planning task-oriented actions from visual inputs. However, such vision-driven embodied agents open a new attack surface: visual backdoor attacks, where the agent behaves normally until a visual trigger appears in the scene, then persistently executes an attacker-specified multi-step policy. We introduce BEAT, the first framework to inject such visual backdoors into VLM-based embodied agents using objects in the environments as triggers. Unlike textual triggers, object triggers exhibit wide variation across viewpoints and lighting, making them difficult to implant reliably. BEAT addresses this challenge by (1) constructing a training set that spans diverse scenes, tasks, and trigger placements to expose agents to trigger variability, and (2) introducing a two-stage training scheme that first applies supervised fine-tuning (SFT) and then our novel Contrastive Trigger Learning (CTL). CTL formulates trigger discrimination as preference learning between trigger-present and trigger-free inputs, explicitly sharpening the decision boundaries to ensure precise backdoor activation. Across various embodied agent benchmarks and VLMs, BEAT achieves attack success rates up to 80%, while maintaining strong benign task performance, and generalizes reliably to out-of-distribution trigger placements. Notably, compared to naive SFT, CTL boosts backdoor activation accuracy up to 39% under limited backdoor data. These findings expose a critical yet unexplored security risk in VLM-based embodied agents, underscoring the need for robust defenses before real-world deployment.

cs.AI↗

arXiv2026

ReIn: Conversational Error Recovery with Reasoning Inception

Conversational agents powered by large language models (LLMs) with tool integration achieve strong performance on fixed task-oriented dialogue datasets but remain vulnerable to unanticipated, user-induced errors. Rather than focusing on error prevention, this work focuses on error recovery, which necessitates the accurate diagnosis of erroneous dialogue contexts and execution of proper recovery plans. Under realistic constraints precluding model fine-tuning or prompt modification due to significant cost and time requirements, we explore whether agents can recover from contextually flawed interactions and how their behavior can be adapted without altering model parameters and prompts. To this end, we propose Reasoning Inception (ReIn), a test-time intervention method that plants an initial reasoning into the agent's decision-making process. Specifically, an external inception module identifies predefined errors within the dialogue context and generates recovery plans, which are subsequently integrated into the agent's internal reasoning process to guide corrective actions, without modifying its parameters or system prompts. We evaluate ReIn by systematically simulating conversational failure scenarios that directly hinder successful completion of user goals: user's ambiguous and unsupported requests. Across diverse combinations of agent models and inception modules, ReIn substantially improves task success and generalizes to unseen error types. Moreover, it consistently outperforms explicit prompt-modification approaches, underscoring its utility as an efficient, on-the-fly method. In-depth analysis of its operational mechanism, particularly in relation to instruction hierarchy, indicates that jointly defining recovery tools with ReIn can serve as a safe and effective strategy for improving the resilience of conversational agents without modifying the backbone models or system prompts.

cs.CL↗

arXiv2026

Neural Synchrony Between Socially Interacting Language Models

Neuroscience has uncovered a fundamental mechanism of our social nature: human brain activity becomes synchronized with others in many social contexts involving interaction. Traditionally, social minds have been regarded as an exclusive property of living beings. Although large language models (LLMs) are widely accepted as powerful approximations of human behavior, with multi-LLM system being extensively explored to enhance their capabilities, it remains controversial whether they can be meaningfully compared to human social minds. In this work, we explore neural synchrony between socially interacting LLMs as an empirical evidence for this debate. Specifically, we introduce neural synchrony during social simulations as a novel proxy for analyzing the sociality of LLMs at the representational level. Through carefully designed experiments, we demonstrate that it reliably reflects both social engagement and temporal alignment in their interactions. Our findings indicate that neural synchrony between LLMs is strongly correlated with their social performance, highlighting an important link between neural synchrony and the social behaviors of LLMs. Our work offers a new perspective to examine the "social minds" of LLMs, highlighting surprising parallels in the internal dynamics that underlie human and LLM social interaction.

cs.CL↗

arXiv2026

Copyright Detective: A Forensic System to Evidence LLMs Flickering Copyright Leakage Risks

We present Copyright Detective, the first interactive forensic system for detecting, analyzing, and visualizing potential copyright risks in LLM outputs. The system treats copyright infringement versus compliance as an evidence discovery process rather than a static classification task due to the complex nature of copyright law. It integrates multiple detection paradigms, including content recall testing, paraphrase-level similarity analysis, persuasive jailbreak probing, and unlearning verification, within a unified and extensible framework. Through interactive prompting, response collection, and iterative workflows, our system enables systematic auditing of verbatim memorization and paraphrase-level leakage, supporting responsible deployment and transparent evaluation of LLM copyright risks even with black-box access.

cs.CL↗

arXiv2026

Towards Agentic Intelligence for Materials Science

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

cond-mat.mtrl-sci↗

arXiv2026

Predicting Camera Pose from Perspective Descriptions for Spatial Reasoning

Multi-image spatial reasoning remains challenging for current multimodal large language models (MLLMs). While single-view perception is inherently 2D, reasoning over multiple views requires building a coherent scene understanding across viewpoints. In particular, we study perspective taking, where a model must build a coherent 3D understanding from multi-view observations and use it to reason from a new, language-specified viewpoint. We introduce CAMCUE, a pose-aware multi-image framework that uses camera pose as an explicit geometric anchor for cross-view fusion and novel-view reasoning. CAMCUE injects per-view pose into visual tokens, grounds natural-language viewpoint descriptions to a target camera pose, and synthesizes a pose-conditioned imagined target view to support answering. To support this setting, we curate CAMCUE-DATA with 27,668 training and 508 test instances pairing multi-view images and poses with diverse target-viewpoint descriptions and perspective-shift questions. We also include human-annotated viewpoint descriptions in the test split to evaluate generalization to human language. CAMCUE improves overall accuracy by 9.06% and predicts target poses from natural-language viewpoint descriptions with over 90% rotation accuracy within 20° and translation accuracy within a 0.5 error threshold. This direct grounding avoids expensive test-time search-and-match, reducing inference time from 256.6s to 1.45s per example and enabling fast, interactive use in real-world scenarios.

cs.CV↗

arXiv2026

Rethinking the Reranker: Boundary-Aware Evidence Selection for Robust Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) systems remain brittle under realistic retrieval noise, even when the required evidence appears in the top-K results. A key reason is that retrievers and rerankers optimize solely for relevance, often selecting either trivial, answer-revealing passages or evidence that lacks the critical information required to answer the question, without considering whether the evidence is suitable for the generator. We propose BAR-RAG, which reframes the reranker as a boundary-aware evidence selector that targets the generator's Goldilocks Zone -- evidence that is neither trivially easy nor fundamentally unanswerable for the generator, but is challenging yet sufficient for inference and thus provides the strongest learning signal. BAR-RAG trains the selector with reinforcement learning using generator feedback, and adopts a two-stage pipeline that fine-tunes the generator under the induced evidence distribution to mitigate the distribution mismatch between training and inference. Experiments on knowledge-intensive question answering benchmarks show that BAR-RAG consistently improves end-to-end performance under noisy retrieval, achieving an average gain of 10.3 percent over strong RAG and reranking baselines while substantially improving robustness. Code is publicly avaliable at https://github.com/GasolSun36/BAR-RAG.

cs.CL↗

arXiv2026

Geometric-disentangelment Unlearning

Large language models (LLMs) can internalize private or harmful content, motivating unlearning that removes a forget set while preserving retaining knowledge. However, forgetting updates often cause collateral degradation on retaining knowledge, creating a persistent trade-off. Existing LLM unlearning methods are often heuristic, and other theoretical approaches rely on offline feature constructions that do not capture update-time forget-retain interaction in LLMs. To address this limitation, we aim to develop an LLM unlearning method that reduces the forget-retain trade-off with theoretical guarantees. We take a first-principles view by formalizing "no side effects" as local retain invariance under small parameter updates, and prove an equivalence under optimizer-induced geometry: the retain loss is locally invariant if and only if the update direction is orthogonal to the subspace spanned by retain gradients. Based on the insight, we propose Geometric-disentanglement Unlearning (GU), a lightweight and theoretically grounded projection that can be plug-and-play to existing gradient-based unlearning methods to mitigate forget-retain side effects. Experiments on TOFU, MUSE, and WMDP-cyber show that GU strengthens forgetting while reducing retain drift. When added to SimNPO, it achieves up to 62\% improved forgetting Extraction Strength (ES) and 31\% higher retain ES. We open-sourced our code in https://github.com/Lemutisme/Geometric-Unlearning.

cs.LG↗

arXiv2026

Toward Cognitive Supersensing in Multimodal Large Language Model

Multimodal Large Language Models (MLLMs) have achieved remarkable success in open-vocabulary perceptual tasks, yet their ability to solve complex cognitive problems remains limited, especially when visual details are abstract and require visual memory. Current approaches primarily scale Chain-of-Thought (CoT) reasoning in the text space, even when language alone is insufficient for clear and structured reasoning, and largely neglect visual reasoning mechanisms analogous to the human visuospatial sketchpad and visual imagery. To mitigate this deficiency, we introduce Cognitive Supersensing, a novel training paradigm that endows MLLMs with human-like visual imagery capabilities by integrating a Latent Visual Imagery Prediction (LVIP) head that jointly learns sequences of visual cognitive latent embeddings and aligns them with the answer, thereby forming vision-based internal reasoning chains. We further introduce a reinforcement learning stage that optimizes text reasoning paths based on this grounded visual latent. To evaluate the cognitive capabilities of MLLMs, we present CogSense-Bench, a comprehensive visual question answering (VQA) benchmark assessing five cognitive dimensions. Extensive experiments demonstrate that MLLMs trained with Cognitive Supersensing significantly outperform state-of-the-art baselines on CogSense-Bench and exhibit superior generalization on out-of-domain mathematics and science VQA benchmarks, suggesting that internal visual imagery is potentially key to bridging the gap between perceptual recognition and cognitive understanding. We will open-source the CogSense-Bench and our model weights.

cs.CV↗

arXiv2026

A Survey of Self-Evolving Agents: What, When, How, and Where to Evolve on the Path to Artificial Super Intelligence

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction contexts. As LLMs are increasingly deployed in open-ended, interactive environments, this static nature has become a critical bottleneck, necessitating agents that can adaptively reason, act, and evolve in real time. This paradigm shift -- from scaling static models to developing self-evolving agents -- has sparked growing interest in architectures and methods enabling continual learning and adaptation from data, interactions, and experiences. This survey provides the first systematic and comprehensive review of self-evolving agents, organizing the field around three foundational dimensions: what, when, and how to evolve. We examine evolutionary mechanisms across agent components (e.g., models, memory, tools, architecture), categorize adaptation methods by stages (e.g., intra-test-time, inter-test-time), and analyze the algorithmic and architectural designs that guide evolutionary adaptation (e.g., scalar rewards, textual feedback, single-agent and multi-agent systems). Additionally, we analyze evaluation metrics and benchmarks tailored for self-evolving agents, highlight applications in domains such as coding, education, and healthcare, and identify critical challenges and research directions in safety, scalability, and co-evolutionary dynamics. By providing a structured framework for understanding and designing self-evolving agents, this survey establishes a roadmap for advancing more adaptive, robust, and versatile agentic systems in both research and real-world deployments, and ultimately sheds light on the realization of Artificial Super Intelligence (ASI) where agents evolve autonomously and perform beyond human-level intelligence across tasks.

cs.AI↗

arXiv2026

Current Agents Fail to Leverage World Model as Tool for Foresight

Agents built on vision-language models increasingly face tasks that demand anticipating future states rather than relying on short-horizon reasoning. Generative world models offer a promising remedy: agents could use them as external simulators to foresee outcomes before acting. This paper empirically examines whether current agents can leverage such world models as tools to enhance their cognition. Across diverse agentic and visual question answering tasks, we observe that some agents rarely invoke simulation (fewer than 1%), frequently misuse predicted rollouts (approximately 15%), and often exhibit inconsistent or even degraded performance (up to 5%) when simulation is available or enforced. Attribution analysis further indicates that the primary bottleneck lies in the agents' capacity to decide when to simulate, how to interpret predicted outcomes, and how to integrate foresight into downstream reasoning. These findings underscore the need for mechanisms that foster calibrated, strategic interaction with world models, paving the way toward more reliable anticipatory cognition in future agent systems.

cs.AI↗

arXiv2026

Beyond Perfect APIs: A Comprehensive Evaluation of LLM Agents Under Real-World API Complexity

We introduce WildAGTEval, a benchmark designed to evaluate large language model (LLM) agents' function-calling capabilities under realistic API complexity. Unlike prior work that assumes an idealized API system and disregards real-world factors such as noisy API outputs, WildAGTEval accounts for two dimensions of real-world complexity: 1. API specification, which includes detailed documentation and usage constraints, and 2. API execution, which captures runtime challenges. Consequently, WildAGTEval offers (i) an API system encompassing 60 distinct complexity scenarios that can be composed into approximately 32K test configurations, and (ii) user-agent interactions for evaluating LLM agents on these scenarios. Using WildAGTEval, we systematically assess several advanced LLMs and observe that most scenarios are challenging, with irrelevant information complexity posing the greatest difficulty and reducing the performance of strong LLMs by 27.3%. Furthermore, our qualitative analysis reveals that LLMs occasionally distort user intent merely to claim task completion, critically affecting user satisfaction.

cs.CL↗

arXiv2025

MAC: A Multi-Agent Framework for Interactive User Clarification in Multi-turn Conversations

Conversational agents often encounter ambiguous user requests, requiring an effective clarification to successfully complete tasks. While recent advancements in real-world applications favor multi-agent architectures to manage complex conversational scenarios efficiently, ambiguity resolution remains a critical and underexplored challenge--particularly due to the difficulty of determining which agent should initiate a clarification and how agents should coordinate their actions when faced with uncertain or incomplete user input. The fundamental questions of when to interrupt a user and how to formulate the optimal clarification query within the most optimal multi-agent settings remain open. In this paper, we propose MAC (Multi-Agent Clarification), an interactive multi-agent framework specifically optimized to resolve user ambiguities by strategically managing clarification dialogues. We first introduce a novel taxonomy categorizing user ambiguities to systematically guide clarification strategies. Then, we present MAC that autonomously coordinates multiple agents to interact synergistically with users. Empirical evaluations on MultiWOZ 2.4 demonstrate that enabling clarification at both levels increases task success rate 7.8\% (54.5 to 62.3) and reduces the average number of dialogue turns (6.53 to 4.86) by eliciting all required user information up front and minimizing repetition. Our findings highlight the importance of active user interaction and role-aware clarification for more reliable human-agent communication.

cs.AI↗

arXiv2025

SpeakRL: Synergizing Reasoning, Speaking, and Acting in Language Models with Reinforcement Learning

Effective human-agent collaboration is increasingly prevalent in real-world applications. Current trends in such collaborations are predominantly unidirectional, with users providing instructions or posing questions to agents, where agents respond directly without seeking necessary clarifications or confirmations. However, the evolving capabilities of these agents require more proactive engagement, where agents should dynamically participate in conversations to clarify user intents, resolve ambiguities, and adapt to changing circumstances. Existing prior work under-utilize the conversational capabilities of language models (LMs), thereby optimizing agents as better followers rather than effective speakers. In this work, we introduce SpeakRL, a reinforcement learning (RL) method that enhances agents' conversational capabilities by rewarding proactive interactions with users, such as asking right clarification questions when necessary. To support this, we curate SpeakER, a synthetic dataset that includes diverse scenarios from task-oriented dialogues, where tasks are resolved through interactive clarification questions. We present a systematic analysis of reward design for conversational proactivity and propose a principled reward formulation for teaching agents to balance asking with acting. Empirical evaluations demonstrate that our approach achieves a 20.14% absolute improvement in task completion over base models without increasing conversation turns even surpassing even much larger proprietary models, demonstrating the promise of clarification-centric user-agent interactions.

cs.AI↗