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Artificial Intelligence (AI) is revolutionizing scientific research, yet its growing integration into laboratory environments presents critical safety challenges. Large language models (LLMs) and vision language models (VLMs) now assist in…

Lifelong learning is essential for intelligent agents operating in dynamic environments. Current large language model (LLM)-based agents, however, remain stateless and unable to accumulate or transfer knowledge over time. Existing…

Artificial Intelligence · Computer Science 2025-06-02 Junhao Zheng , Xidi Cai , Qiuke Li , Duzhen Zhang , ZhongZhi Li , Yingying Zhang , Le Song , Qianli Ma

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Scientific reasoning poses an excessive challenge for even the most advanced Large Language Models (LLMs). To make this task more practical and solvable for LLMs, we introduce a new task setting named tool-augmented scientific reasoning.…

Computation and Language · Computer Science 2024-02-22 Yubo Ma , Zhibin Gou , Junheng Hao , Ruochen Xu , Shuohang Wang , Liangming Pan , Yujiu Yang , Yixin Cao , Aixin Sun , Hany Awadalla , Weizhu Chen

Predictive analysis is a cornerstone of modern decision-making, with applications in various domains. Large Language Models (LLMs) have emerged as powerful tools in enabling nuanced, knowledge-intensive conversations, thus aiding in complex…

Computation and Language · Computer Science 2025-05-26 Qin Chen , Yuanyi Ren , Xiaojun Ma , Yuyang Shi

Large Language Models (LLMs) hold significant potential for advancing fact-checking by leveraging their capabilities in reasoning, evidence retrieval, and explanation generation. However, existing benchmarks fail to comprehensively evaluate…

Computation and Language · Computer Science 2025-06-17 Shuo Yang , Yuqin Dai , Guoqing Wang , Xinran Zheng , Jinfeng Xu , Jinze Li , Zhenzhe Ying , Weiqiang Wang , Edith C. H. Ngai

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

Though large language models (LLMs) have demonstrated exceptional performance across numerous problems, their application to predictive tasks in relational databases remains largely unexplored. In this work, we address the notion that LLMs…

Machine Learning · Computer Science 2024-11-19 Marek Wydmuch , Łukasz Borchmann , Filip Graliński

Agents equipped with search tools have emerged as effective solutions for knowledge-intensive tasks. While Large Language Models (LLMs) exhibit strong reasoning capabilities, their high computational cost limits practical deployment for…

Artificial Intelligence · Computer Science 2026-04-07 Yizhou Liu , Qi Sun , Yulin Chen , Siyue Zhang , Chen Zhao

The advances made by Large Language Models (LLMs) have led to the pursuit of LLM agents that can solve intricate, multi-step reasoning tasks. As with any research pursuit, benchmarking and evaluation are key corner stones to efficient and…

Artificial Intelligence · Computer Science 2024-04-10 Luca Gioacchini , Giuseppe Siracusano , Davide Sanvito , Kiril Gashteovski , David Friede , Roberto Bifulco , Carolin Lawrence

Despite the remarkable advancements and widespread applications of deep neural networks, their ability to perform reasoning tasks remains limited, particularly in domains requiring structured, abstract thought. In this paper, we investigate…

Computation and Language · Computer Science 2025-09-16 Satyam Goyal , Soham Dan

Large language model (LLM) agents have shown promising performance in generating code for solving complex data science problems. Recent studies primarily focus on enhancing in-context learning through improved search, sampling, and planning…

Artificial Intelligence · Computer Science 2025-05-21 He Wang , Alexander Hanbo Li , Yiqun Hu , Sheng Zhang , Hideo Kobayashi , Jiani Zhang , Henry Zhu , Chung-Wei Hang , Patrick Ng

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have…

Machine Learning · Computer Science 2025-10-13 Aneesh Komanduri , Karuna Bhaila , Xintao Wu

As large language models (LLMs) become integral to code-related tasks, a central question emerges: Do LLMs truly understand program semantics? We introduce EquiBench, a new benchmark for evaluating LLMs through equivalence checking, i.e.,…

Machine Learning · Computer Science 2025-09-23 Anjiang Wei , Jiannan Cao , Ran Li , Hongyu Chen , Yuhui Zhang , Ziheng Wang , Yuan Liu , Thiago S. F. X. Teixeira , Diyi Yang , Ke Wang , Alex Aiken

Recent advancements in integrating large language models (LLMs) with application programming interfaces (APIs) have gained significant interest in both academia and industry. Recent work demonstrates that these API-based agents exhibit…

Software Engineering · Computer Science 2025-01-24 Haiyang Shen , Yue Li , Desong Meng , Dongqi Cai , Sheng Qi , Li Zhang , Mengwei Xu , Yun Ma

Large language models (LLMs) have shown remarkable improvements in reasoning and many existing benchmarks have been addressed by models such as o1 and o3 either fully or partially. However, a majority of these benchmarks emphasize deductive…

Machine Learning · Computer Science 2025-05-15 Wenyue Hua , Tyler Wong , Sun Fei , Liangming Pan , Adam Jardine , William Yang Wang

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…

Computation and Language · Computer Science 2025-08-25 Weiwei Sun , Shengyu Feng , Shanda Li , Yiming Yang

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs…

Software Engineering · Computer Science 2025-12-04 Junwei Liu , Kaixin Wang , Yixuan Chen , Xin Peng , Zhenpeng Chen , Lingming Zhang , Yiling Lou

Recent advancements have underscored the potential of large language model (LLM)-based agents in financial decision-making. Despite this progress, the field currently encounters two main challenges: (1) the lack of a comprehensive LLM agent…

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…