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Shuhao Zhang

Shuhao Zhang contributes to research discovery and scholarly infrastructure.

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Artificial Intelligence Computation and Language Machine Learning Computer Vision Databases eess.SY Multiagent Systems Quantitative Methods Robotics Systems and Control

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preprint2026arXiv

ActiShade: Activating Overshadowed Knowledge to Guide Multi-Hop Reasoning in Large Language Models

In multi-hop reasoning, multi-round retrieval-augmented generation (RAG) methods typically rely on LLM-generated content as the retrieval query. However, these approaches are inherently vulnerable to knowledge overshadowing - a phenomenon where critical information is overshadowed during generation. As a result, the LLM-generated content may be incomplete or inaccurate, leading to irrelevant retrieval and causing error accumulation during the iteration process. To address this challenge, we propose ActiShade, which detects and activates overshadowed knowledge to guide large language models (LLMs) in multi-hop reasoning. Specifically, ActiShade iteratively detects the overshadowed keyphrase in the given query, retrieves documents relevant to both the query and the overshadowed keyphrase, and generates a new query based on the retrieved documents to guide the next-round iteration. By supplementing the overshadowed knowledge during the formulation of next-round queries while minimizing the introduction of irrelevant noise, ActiShade reduces the error accumulation caused by knowledge overshadowing. Extensive experiments show that ActiShade outperforms existing methods across multiple datasets and LLMs.

preprint2026arXiv

Can Agents Price a Reaction? Evaluating LLMs on Chemical Cost Reasoning

Large Language Models (LLMs) have become increasingly capable as tool-using agents, with benchmarks spanning diverse general agentic tasks. Yet rigorous evaluation of scientific tool use remains limited. In chemistry, recent agents can plan syntheses and invoke domain-specific tools, but evaluations often rely on curated demonstrations, expert assessment, or LLM-as-judge scoring rather than exact, judge-free ground truth. We address this gap with chemical procurement cost estimation, a practical task in which an agent must ground chemical identities, retrieve supplier quotes, select valid purchasable packs, normalize quantities, and compute cost from a reaction description. We introduce ChemCost, a benchmark of 1,427 evaluable reactions grounded to a frozen pricing snapshot covering 2,261 chemicals and 230,775 supplier quotes, supporting scalar scoring and stage-level diagnosis of grounding, retrieval, procurement, and arithmetic failures. To evaluate robustness, we further construct controlled noise-injected views that perturb chemical aliases, quantity expressions, missing fields, and input formatting. Experiments with frontier, open-weight, and chemistry-specialized LLM agents show that tool access is necessary but insufficient for solving the task. The strongest agents reach only 50.6% accuracy within 25% relative error on clean inputs and degrade substantially with realistic noise. Stage-level analysis further shows that failures arise from brittle parsing, ineffective evidence integration, invalid pack selection, and non-convergent tool use.

preprint2026arXiv

LLMs Know When They Know, but Do Not Act on It: A Metacognitive Harness for Test-time Scaling

Large language models (LLMs) often expose useful signals of self-monitoring: before solving a problem, they can estimate whether they are likely to succeed, and after solving it, they can judge whether their answer is likely to be correct. However, these signals are typically measured or elicited in isolation, rather than used to control inference. In this work, we ask whether LLMs possess latent metacognitive ability that can be turned into effective test-time control. Inspired by the Nelson--Narens theory from cognitive psychology, we propose a metacognitive harness that separates monitoring from reasoning. For each problem, the model first reports a pre-solve feeling-of-knowing (FOK) signal; after each solve attempt, it reports a post-solve judgment-of-learning (JOL) signal. Rather than treating these signals as passive confidence estimates, the harness turns them into an explicit control interface for reasoning: it decides when to trust the current solution, when to retry with compact metacognitive feedback, and when to pass multiple attempts to a final aggregator. Across text, code, and multimodal reasoning benchmarks, our harness substantially improves a fixed Claude Sonnet-4.6 base model without parameter updates or benchmark-specific fine-tuning. On the evaluated public benchmark snapshots, it raises pooled accuracy from 48.3 to 56.9 and exceeds the strongest listed leaderboard entries on the three primary evaluation settings: HLE-Verified, LiveCodeBench v6, and R-Bench-V. These results suggest that strong LLMs may already possess useful metacognitive ability, but require an explicit control harness to act on it during reasoning.

preprint2026arXiv

PruneTIR: Inference-Time Tool Call Pruning for Effective yet Efficient Tool-Integrated Reasoning

Tool-integrated reasoning (TIR) enables large language models (LLMs) to enhance their capabilities by interacting with external tools, such as code interpreters (CI). Most recent studies focus on exploring various methods to equip LLMs with the ability to use tools. However, how to further boost the reasoning ability of already tool-capable LLMs at inference time remains underexplored. Improving reasoning at inference time requires no additional training and can help LLMs better leverage tools to solve problems. We observe that, during tool-capable LLM inference, both the number and the proportion of erroneous tool calls are negatively correlated with answer correctness. Moreover, erroneous tool calls are typically resolved successfully within a few subsequent turns. If not, LLMs often struggle to resolve such errors even with many additional turns. Building on the above observations, we propose PruneTIR, a rather effective yet efficient framework that enhances the tool-integrated reasoning at inference time. During LLM inference, PruneTIR prunes trajectories, resamples tool calls, and suspends tool usage through three components: Success-Triggered Pruning, Stuck-Triggered Pruning and Resampling, and Retry-Triggered Tool Suspension. These three components enable PruneTIR to mitigate the negative impact of erroneous tool calls and prevent LLMs from getting stuck in repeated failed resolution attempts, thereby improving overall LLM performance. Extensive experimental results demonstrate the effectiveness of PruneTIR, which significantly improves Pass@1 and efficiency while reducing the working context length for tool-capable LLMs.

preprint2022arXiv

A Framework for Fast Polarity Labelling of Massive Data Streams

Many of the existing sentiment analysis techniques are based on supervised learning, and they demand the availability of valuable training datasets to train their models. When dataset freshness is critical, the annotating of high speed unlabelled data streams becomes critical but remains an open problem. In this paper, we propose PLStream, a novel Apache Flink-based framework for fast polarity labelling of massive data streams, like Twitter tweets or online product reviews. We address the associated implementation challenges and propose a list of techniques including both algorithmic improvements and system optimizations. A thorough empirical validation with two real-world workloads demonstrates that PLStream is able to generate high quality labels (almost 80% accuracy) in the presence of high-speed continuous unlabelled data streams (almost 16,000 tuples/sec) without any manual efforts.

preprint2022arXiv

Efficient Distributed Framework for Collaborative Multi-Agent Reinforcement Learning

Multi-agent reinforcement learning for incomplete information environments has attracted extensive attention from researchers. However, due to the slow sample collection and poor sample exploration, there are still some problems in multi-agent reinforcement learning, such as unstable model iteration and low training efficiency. Moreover, most of the existing distributed framework are proposed for single-agent reinforcement learning and not suitable for multi-agent. In this paper, we design an distributed MARL framework based on the actor-work-learner architecture. In this framework, multiple asynchronous environment interaction modules can be deployed simultaneously, which greatly improves the sample collection speed and sample diversity. Meanwhile, to make full use of computing resources, we decouple the model iteration from environment interaction, and thus accelerate the policy iteration. Finally, we verified the effectiveness of propose framework in MaCA military simulation environment and the SMAC 3D realtime strategy gaming environment with imcomplete information characteristics.

preprint2022arXiv

MolMiner: You only look once for chemical structure recognition

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a backlog of decades and an increasing amount of these printed literature, there is a high demand for the translation of printed depictions into machine-readable formats, which is known as Optical Chemical Structure Recognition (OCSR). Most OCSR systems developed over the last three decades follow a rule-based approach where the key step of vectorization of the depiction is based on the interpretation of vectors and nodes as bonds and atoms. Here, we present a practical software MolMiner, which is primarily built up using deep neural networks originally developed for semantic segmentation and object detection to recognize atom and bond elements from documents. These recognized elements can be easily connected as a molecular graph with distance-based construction algorithm. We carefully evaluate our software on four benchmark datasets with the state-of-the-art performance. Various real application scenarios are also tested, yielding satisfactory outcomes. The free download links of Mac and Windows versions are available: Mac: https://molminer-cdn.iipharma.cn/pharma-mind/artifact/latest/mac/PharmaMind-mac-latest-setup.dmg and Windows: https://molminer-cdn.iipharma.cn/pharma-mind/artifact/latest/win/PharmaMind-win-latest-setup.exe

preprint2022arXiv

Safety-guaranteed trajectory planning and control based on GP estimation for unmanned surface vessels

We propose a safety-guaranteed planning and control framework for unmanned surface vessels (USVs), using Gaussian processes (GPs) to learn uncertainties. The uncertainties encountered by USVs, including external disturbances and model mismatches, are potentially state-dependent, time-varying, and hard to capture with constant models. GP is a powerful learning-based tool that can be integrated with a model-based planning and control framework, which employs a Hamilton-Jacobi differential game formulation. Such a combination yields less conservative trajectories and safety-guaranteeing control strategies. We demonstrate the proposed framework in simulations and experiments on a CLEARPATH Heron USV.

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