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In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…

Computation and Language · Computer Science 2025-08-07 Mohammad Khodadad , Ali Shiraee Kasmaee , Mahdi Astaraki , Nicholas Sherck , Hamidreza Mahyar , Soheila Samiee

It is becoming increasingly common for researchers to consider incorporating external information from large studies to improve the accuracy of statistical inference instead of relying on a modestly sized dataset collected internally. With…

Methodology · Statistics 2021-07-20 Tian Gu , Jeremy M. G. Taylor , Bhramar Mukherjee

Separating disinformation from fact on the web has long challenged both the search and the reasoning powers of humans. We show that the reasoning power of large language models (LLMs) and the retrieval power of modern search engines can be…

Computation and Language · Computer Science 2024-11-11 Christopher Malon

We introduce an explainability method for biomedical hypothesis generation systems, built on top of the novel Hypothesis Generation Context Retriever framework. Our approach combines semantic graph-based retrieval and relevant…

Information Retrieval · Computer Science 2025-11-11 Ilya Tyagin , Saeideh Valipour , Aliaksandra Sikirzhytskaya , Michael Shtutman , Ilya Safro

People increasingly use large language models (LLMs) to explore ideas, gather information, and make sense of the world. In these interactions, they encounter agents that are overly agreeable. We argue that this sycophancy poses a unique…

Computers and Society · Computer Science 2026-02-17 Rafael M. Batista , Thomas L. Griffiths

Existing multimodal search agents process target entities sequentially, issuing one tool call per entity and accumulating redundant interaction rounds whenever a query decomposes into independent sub-retrievals. We argue that effective…

Machine Learning · Computer Science 2026-05-12 Guankai Li , Jiabin Chen , Yi Xu , Xichen Zhang , Yuan Lu

Explainable Artificial Intelligence (XAI) has become critical in enhancing the transparency and trustworthiness of AI systems, especially as these systems are increasingly deployed in high-stakes domains such as healthcare and finance.…

Symbolic Computation · Computer Science 2024-08-13 Shengxin Hong , Xiuyi Fan

Web-based 'deep research' agents aim to solve complex question - answering tasks through long-horizon interactions with online tools. These tasks remain challenging, as the underlying language models are often not optimized for long-horizon…

Computation and Language · Computer Science 2025-10-17 Shrey Pandit , Xuan-Phi Nguyen , Yifei Ming , Austin Xu , Jiayu Wang , Caiming Xiong , Shafiq Joty

Large language models are powerful text processors and reasoners, but are still subject to limitations including outdated knowledge and hallucinations, which necessitates connecting them to the world. Retrieval-augmented large language…

Computation and Language · Computer Science 2023-10-24 Zhihong Shao , Yeyun Gong , Yelong Shen , Minlie Huang , Nan Duan , Weizhu Chen

As artificial intelligence permeates judicial forensics, ensuring the veracity and traceability of legal question answering (QA) has become critical. Conventional large language models (LLMs) are prone to hallucination, risking misleading…

Artificial Intelligence · Computer Science 2025-11-18 Yueqing Xi , Yifan Bai , Huasen Luo , Weiliang Wen , Hui Liu , Haoliang Li

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Artificial Intelligence · Computer Science 2025-09-29 Zhuo Yang , Daolang Wang , Lingli Ge , Beilun Wang , Tianfan Fu , Yuqiang Li

We introduce a distributed, cooperative framework and method for Bayesian estimation and control in decentralized agent networks. Our framework combines joint estimation of time-varying global and local states with information-seeking…

Systems and Control · Computer Science 2015-09-24 Florian Meyer , Henk Wymeersch , Markus Fröhle , Franz Hlawatsch

The application of Large Language Models (LLMs) in accelerating scientific discovery has garnered increasing attention, with a key focus on constructing research agents endowed with innovative capability, i.e., the ability to autonomously…

Computation and Language · Computer Science 2026-02-24 Tianyu Fan , Fengji Zhang , Yuxiang Zheng , Bei Chen , Xinyao Niu , Chengen Huang , Junyang Lin , Chao Huang

While Retrieval-Augmented Generation (RAG) augments Large Language Models (LLMs) with external knowledge, conventional single-agent RAG remains fundamentally limited in resolving complex queries demanding coordinated reasoning across…

Computation and Language · Computer Science 2025-04-18 Pei Liu , Xin Liu , Ruoyu Yao , Junming Liu , Siyuan Meng , Ding Wang , Jun Ma

Retrieval-Augmented Generation (RAG) utilizes external knowledge to augment Large Language Models' (LLMs) reliability. For flexibility, agentic RAG employs autonomous, multi-round retrieval and reasoning to resolve queries. Although recent…

Information Retrieval · Computer Science 2025-11-10 Chao Zhang , Yuhao Wang , Derong Xu , Haoxin Zhang , Yuanjie Lyu , Yuhao Chen , Shuochen Liu , Tong Xu , Xiangyu Zhao , Yan Gao , Yao Hu , Enhong Chen

Selective prediction systems can mitigate harms resulting from language model hallucinations by abstaining from answering in high-risk cases. Uncertainty quantification techniques are often employed to identify such cases, but are rarely…

Computation and Language · Computer Science 2026-03-24 Edward Phillips , Fredrik K. Gustafsson , Sean Wu , Anshul Thakur , David A. Clifton

Generative neural networks have been shown effective on query suggestion. Commonly posed as a conditional generation problem, the task aims to leverage earlier inputs from users in a search session to predict queries that they will likely…

Computation and Language · Computer Science 2020-10-07 Ruey-Cheng Chen , Chia-Jung Lee

Detecting whether an LLM hallucinates is an important research challenge. One promising way of doing so is to estimate the semantic entropy (Farquhar et al., 2024) of the distribution of generated sequences. We propose a new algorithm for…

Machine Learning · Computer Science 2025-09-09 Kamil Ciosek , Nicolò Felicioni , Sina Ghiassian

Information-based Bayesian optimization (BO) algorithms have achieved state-of-the-art performance in optimizing a black-box objective function. However, they usually require several approximations or simplifying assumptions (without…

Machine Learning · Computer Science 2021-08-02 Quoc Phong Nguyen , Zhaoxuan Wu , Bryan Kian Hsiang Low , Patrick Jaillet

The hallmark of Deep Research agents lies in compositional reasoning, the capacity to aggregate distributed, heterogeneous information into coherent logical insights. However, current agentic systems are often retrieval-heavy but…

Computation and Language · Computer Science 2026-04-30 Rui Wang , Ce Zhang , Jun-Yu Ma , Jianshu Zhang , Hongru Wang , Yi Chen , Boyang Xue , Tianqing Fang , Zhisong Zhang , Hongming Zhang , Haitao Mi , Dong Yu , Kam-Fai Wong