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Large Language Models (LLMs) demonstrate enhanced capabilities and reliability by reasoning more, evolving from Chain-of-Thought prompting to product-level solutions like OpenAI o1. Despite various efforts to improve LLM reasoning,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-05 Yuhao Dong , Zuyan Liu , Hai-Long Sun , Jingkang Yang , Winston Hu , Yongming Rao , Ziwei Liu

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Multimodal large language models (MLLMs) that integrate visual and textual reasoning leverage chain-of-thought (CoT) prompting to tackle complex visual tasks, yet continue to exhibit visual hallucinations and an over-reliance on textual…

Computer Vision and Pattern Recognition · Computer Science 2025-10-24 Jing Bi , Guangyu Sun , Ali Vosoughi , Chen Chen , Chenliang Xu

Agentic code generation requires large language models (LLMs) capable of complex context management and multi-step reasoning. Prior multi-agent frameworks attempt to address these challenges through collaboration, yet they often suffer from…

Software Engineering · Computer Science 2026-01-13 Ming-Tung Shen , Yuh-Jzer Joung

Large language models (LLMs) struggle in real-world clinical consultations. Single-turn consultation systems require patients to describe all symptoms at once, which often leads to unclear complaints and vague diagnoses. Traditional…

Computation and Language · Computer Science 2026-05-01 Yichun Feng , Jiawei Wang , Lu Zhou , Yikai Zheng , Zhen Lei , Yixue Li

Can LLM agents explore codebases and reason about code semantics without executing the code? We study this capability, which we call agentic code reasoning, and introduce semi-formal reasoning: a structured prompting methodology that…

Software Engineering · Computer Science 2026-03-05 Shubham Ugare , Satish Chandra

A wide range of real-world applications is characterized by their symbolic nature, necessitating a strong capability for symbolic reasoning. This paper investigates the potential application of Large Language Models (LLMs) as symbolic…

Computation and Language · Computer Science 2024-01-18 Meng Fang , Shilong Deng , Yudi Zhang , Zijing Shi , Ling Chen , Mykola Pechenizkiy , Jun Wang

Vision-language model (VLM) fine-tuning for application-specific visual grounding based on natural language instructions has become one of the most popular approaches for learning-enabled autonomous systems. However, such fine-tuning relies…

Computer Vision and Pattern Recognition · Computer Science 2025-02-03 Joshua R. Waite , Md. Zahid Hasan , Qisai Liu , Zhanhong Jiang , Chinmay Hegde , Soumik Sarkar

We present MOSAIC, a multi-agent Large Language Model (LLM) framework for solving challenging scientific coding tasks. Unlike general-purpose coding, scientific workflows require algorithms that are rigorous, interconnected with deep domain…

Computation and Language · Computer Science 2026-05-05 Siddeshwar Raghavan , Tanwi Mallick

In this thesis, we develop algorithms with theoretical guarantees for ensuring reliability and accountability of Machine Learning (ML) systems. As ML systems evolve from predictive models to generative models and autonomous agents, the…

Machine Learning · Computer Science 2026-05-12 Carol Xuan Long

Recent advances in multimodal question answering have primarily focused on combining heterogeneous modalities or fine-tuning multimodal large language models. While these approaches have shown strong performance, they often rely on a…

Computation and Language · Computer Science 2026-04-22 Krishna Singh Rajput , Tejas Anvekar , Chitta Baral , Vivek Gupta

Multi-agent simulations are versatile tools for exploring interactions among natural and artificial agents, but their development typically demands domain expertise and manual effort. This work introduces the Generative Agents for…

Artificial Intelligence · Computer Science 2025-05-30 Agnieszka Mensfelt , Kostas Stathis , Vince Trencsenyi

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs)…

Computation and Language · Computer Science 2024-03-20 Zhiyu Yang , Zihan Zhou , Shuo Wang , Xin Cong , Xu Han , Yukun Yan , Zhenghao Liu , Zhixing Tan , Pengyuan Liu , Dong Yu , Zhiyuan Liu , Xiaodong Shi , Maosong Sun

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

Large language model (LLM)-based evolution is a promising approach for open-ended discovery, where progress requires sustained search and knowledge accumulation. Existing methods still rely heavily on fixed heuristics and hard-coded…

Large Language Models (LLMs) have become a popular interface for human-AI interaction, supporting information seeking and task assistance through natural, multi-turn dialogue. To respond to users within multi-turn dialogues, the…

Computation and Language · Computer Science 2026-04-16 Fengran Mo , Yifan Gao , Sha Li , Hansi Zeng , Xin Liu , Zhaoxuan Tan , Xian Li , Jianshu Chen , Dakuo Wang , Meng Jiang

We propose a multi-agent framework for modeling artificial consciousness in large language models (LLMs), grounded in psychoanalytic theory. Our \textbf{Psychodynamic Model} simulates self-awareness, preconsciousness, and unconsciousness…

Computation and Language · Computer Science 2025-10-22 Sang Hun Kim , Jongmin Lee , Dongkyu Park , So Young Lee , Yosep Chong

Intelligent agents, such as robots, are increasingly deployed in real-world, human-centric environments. To foster appropriate human trust and meet legal and ethical standards, these agents must be able to explain their behavior. However,…

Machine Learning · Computer Science 2025-08-12 Zhang Xi-Jia , Yue Guo , Shufei Chen , Simon Stepputtis , Matthew Gombolay , Katia Sycara , Joseph Campbell

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

As spacecraft journey further from Earth with more complex missions, systems of greater autonomy and onboard intelligence are called for. Reducing reliance on human-based mission control becomes increasingly critical if we are to increase…

Robotics · Computer Science 2024-05-03 David Maranto