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Multi-Modal Large Language Models (MLLMs), despite being successful, exhibit limited generality and often fall short when compared to specialized models. Recently, LLM-based agents have been developed to address these challenges by…

Computation and Language · Computer Science 2024-10-08 Binxu Li , Tiankai Yan , Yuanting Pan , Jie Luo , Ruiyang Ji , Jiayuan Ding , Zhe Xu , Shilong Liu , Haoyu Dong , Zihao Lin , Yixin Wang

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Evaluating large language models (LLM) in clinical scenarios is crucial to assessing their potential clinical utility. Existing benchmarks rely heavily on static question-answering, which does not accurately depict the complex, sequential…

Human-Computer Interaction · Computer Science 2025-05-27 Samuel Schmidgall , Rojin Ziaei , Carl Harris , Eduardo Reis , Jeffrey Jopling , Michael Moor

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Foundation models update slowly due to resource-intensive training, whereas domain-specific models evolve rapidly between releases. Model merging seeks to combine multiple expert models into a single, more capable model, reducing storage…

Artificial Intelligence · Computer Science 2026-03-04 Yongxian Wei , Runxi Cheng , Weike Jin , Enneng Yang , Li Shen , Lu Hou , Sinan Du , Chun Yuan , Xiaochun Cao , Dacheng Tao

Large Language Models (LLMs) have shown remarkable capabilities as autonomous agents, yet existing benchmarks either focus on single-agent tasks or are confined to narrow domains, failing to capture the dynamics of multi-agent coordination…

Multiagent Systems · Computer Science 2025-03-05 Kunlun Zhu , Hongyi Du , Zhaochen Hong , Xiaocheng Yang , Shuyi Guo , Zhe Wang , Zhenhailong Wang , Cheng Qian , Xiangru Tang , Heng Ji , Jiaxuan You

With recent advances in Large Language Models (LLMs), Agentic AI has become phenomenal in real-world applications, moving toward multiple LLM-based agents to perceive, learn, reason, and act collaboratively. These LLM-based Multi-Agent…

Artificial Intelligence · Computer Science 2025-01-14 Khanh-Tung Tran , Dung Dao , Minh-Duong Nguyen , Quoc-Viet Pham , Barry O'Sullivan , Hoang D. Nguyen

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

The integration of Large Language Models (LLMs) with specialized tools presents new opportunities for intelligent automation systems. However, orchestrating multiple LLM-driven agents to tackle complex tasks remains challenging due to…

Artificial Intelligence · Computer Science 2025-03-27 Pengfei Du

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

Artificial Intelligence · Computer Science 2025-11-21 Hanzhi Yan , Qin Lu , Xianqiao Wang , Xiaoming Zhai , Tianming Liu , He Li

Tool learning empowers large language models (LLMs) as agents to use external tools and extend their utility. Existing methods employ one single LLM-based agent to iteratively select and execute tools, thereafter incorporating execution…

Computation and Language · Computer Science 2024-06-25 Zhengliang Shi , Shen Gao , Xiuyi Chen , Yue Feng , Lingyong Yan , Haibo Shi , Dawei Yin , Pengjie Ren , Suzan Verberne , Zhaochun Ren

Multi-modal learning has emerged as a key technique for improving performance across domains such as autonomous driving, robotics, and reasoning. However, in certain scenarios, particularly in resource-constrained environments, some…

Robotics · Computer Science 2026-01-01 Rui Liu , Yu Shen , Peng Gao , Pratap Tokekar , Ming Lin

Large language models (LLMs) and large multimodal models (LMMs) promise to accelerate biomedical discovery, yet their reliability remains unclear. We introduce ARIEL (AI Research Assistant for Expert-in-the-Loop Learning), an open-source…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Large Language Models (LLMs) have shown remarkable capabilities in general natural language processing tasks but often fall short in complex reasoning tasks. Recent studies have explored human-like problem-solving strategies, such as…

Computation and Language · Computer Science 2023-12-19 Zhenran Xu , Senbao Shi , Baotian Hu , Jindi Yu , Dongfang Li , Min Zhang , Yuxiang Wu

AutoML systems are currently rising in popularity, as they can build powerful models without human oversight. They often combine techniques from many different sub-fields of machine learning in order to find a model or set of models that…

Machine Learning · Statistics 2021-05-03 Florian Pfisterer , Stefan Coors , Janek Thomas , Bernd Bischl

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise…

Artificial Intelligence · Computer Science 2024-02-16 Ali AhmadiTeshnizi , Wenzhi Gao , Madeleine Udell

Incorporating multiple modalities into large language models (LLMs) is a powerful way to enhance their understanding of non-textual data, enabling them to perform multimodal tasks. Vision language models (VLMs) form the fastest growing…

Machine Learning · Computer Science 2025-02-04 Shiqi He , Insu Jang , Mosharaf Chowdhury

Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named…

Computation and Language · Computer Science 2024-10-31 Yubin Kim , Chanwoo Park , Hyewon Jeong , Yik Siu Chan , Xuhai Xu , Daniel McDuff , Hyeonhoon Lee , Marzyeh Ghassemi , Cynthia Breazeal , Hae Won Park

Powerful large language models (LLMs) from different providers have been expensively trained and finetuned to specialize across varying domains. In this work, we introduce a new kind of Conductor model trained with reinforcement learning to…

Machine Learning · Computer Science 2026-05-07 Stefan Nielsen , Edoardo Cetin , Peter Schwendeman , Qi Sun , Jinglue Xu , Yujin Tang
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