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Routing large language models (LLMs) is a new paradigm that uses a router to recommend the best LLM from a pool of candidates for a given input. In this paper, our comprehensive analysis with more than 8,500 LLMs reveals a novel model-level…

Computation and Language · Computer Science 2025-05-21 Zhongzhan Huang , Guoming Ling , Yupei Lin , Yandong Chen , Shanshan Zhong , Hefeng Wu , Liang Lin

Recent large language models (LLMs) are promising for making decisions in grounded environments. However, LLMs frequently fail in complex decision-making tasks due to the misalignment between the pre-trained knowledge in LLMs and the actual…

Computation and Language · Computer Science 2023-10-27 Siqi Ouyang , Lei Li

The emergence of Large Language Models (LLMs), has opened exciting possibilities for constructing computational simulations designed to replicate human behavior accurately. Current research suggests that LLM-based agents become increasingly…

Computation and Language · Computer Science 2024-12-18 Amir Taubenfeld , Yaniv Dover , Roi Reichart , Ariel Goldstein

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the…

Computation and Language · Computer Science 2024-09-18 Janice Ahn , Rishu Verma , Renze Lou , Di Liu , Rui Zhang , Wenpeng Yin

Human cognition excels at transcending sensory input and forming latent representations that structure our understanding of the world. While Large Language Model (LLM) agents demonstrate emergent reasoning and decision-making abilities,…

Machine Learning · Computer Science 2026-01-22 Hengguan Huang , Xing Shen , Songtao Wang , Lingfa Meng , Dianbo Liu , David Alejandro Duchene , Hao Wang , Samir Bhatt

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Large Language Models (LLMs) have shown potential in reasoning over structured environments, e.g., knowledge graph and table. Such tasks typically require multi-hop reasoning, i.e., match natural language utterance with instances in the…

Computation and Language · Computer Science 2024-07-04 Sitao Cheng , Ziyuan Zhuang , Yong Xu , Fangkai Yang , Chaoyun Zhang , Xiaoting Qin , Xiang Huang , Ling Chen , Qingwei Lin , Dongmei Zhang , Saravan Rajmohan , Qi Zhang

Biological organisms are composed of numerous interconnected biochemical processes. Diseases occur when normal functionality of these processes is disrupted. Thus, understanding these biochemical processes and their interrelationships is a…

Artificial Intelligence · Computer Science 2014-03-04 Saadat Anwar

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven…

Machine Learning · Computer Science 2026-02-05 Annabelle Sujun Tang , Christopher Priebe , Rohan Mahapatra , Lianhui Qin , Hadi Esmaeilzadeh

Large language models (LLMs) are increasingly leveraged to empower autonomous agents to simulate human beings in various fields of behavioral research. However, evaluating their capacity to navigate complex social interactions remains a…

Computation and Language · Computer Science 2024-11-26 Xinyi Mou , Jingcong Liang , Jiayu Lin , Xinnong Zhang , Xiawei Liu , Shiyue Yang , Rong Ye , Lei Chen , Haoyu Kuang , Xuanjing Huang , Zhongyu Wei

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Large language models (LLMs) have demonstrated impressive capabilities in general scenarios, exhibiting a level of aptitude that approaches, in some aspects even surpasses, human-level intelligence. Among their numerous skills, the…

Computation and Language · Computer Science 2023-11-30 Zhiwei He , Tian Liang , Wenxiang Jiao , Zhuosheng Zhang , Yujiu Yang , Rui Wang , Zhaopeng Tu , Shuming Shi , Xing Wang

Travel choice analysis is crucial for understanding individual travel behavior to develop appropriate transport policies and recommendation systems in Intelligent Transportation Systems (ITS). Despite extensive research, this domain faces…

Artificial Intelligence · Computer Science 2024-06-25 Xuehao Zhai , Hanlin Tian , Lintong Li , Tianyu Zhao

Despite the remarkable capabilities of large language models (LLMs) across a range of tasks, mathematical reasoning remains a challenging frontier. Motivated by the observation that humans learn more effectively when prompted not what to…

Computation and Language · Computer Science 2025-08-08 Maria-Eleni Zoumpoulidi , Georgios Paraskevopoulos , Alexandros Potamianos

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

The widespread application of Large Language Models (LLMs) has motivated a growing interest in their capacity for processing dynamic graphs. Temporal motifs, as an elementary unit and important local property of dynamic graphs which can…

Machine Learning · Computer Science 2026-03-09 Bing Hao , Minglai Shao , Zengyi Wo , Yunlong Chu , Yuhang Liu , Ruijie Wang

In transportation system demand modeling and simulation, agent-based models and microsimulations are current state-of-the-art approaches. However, existing agent-based models still have some limitations on behavioral realism and resource…

Artificial Intelligence · Computer Science 2025-04-08 Tianming Liu , Jirong Yang , Yafeng Yin

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Recent studies have demonstrated the feasibility of modeling single-cell data as natural languages and the potential of leveraging powerful large language models (LLMs) for understanding cell biology. However, a comprehensive evaluation of…

Quantitative Methods · Quantitative Biology 2025-05-14 Fan Zhang , Tianyu Liu , Zhihong Zhu , Hao Wu , Haixin Wang , Donghao Zhou , Yefeng Zheng , Kun Wang , Xian Wu , Pheng-Ann Heng

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

Artificial Intelligence · Computer Science 2026-05-12 Haorui Wang , Jeff Guo , Lingkai Kong , Rampi Ramprasad , Philippe Schwaller , Yuanqi Du , Chao Zhang