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Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

The popularity of Large Language Models (LLMs) have unleashed a new age ofLanguage Agents for solving a diverse range of tasks. While contemporary frontier LLMs are capable enough to power reasonably good Language agents, the closed-API…

Computation and Language · Computer Science 2024-10-11 Priyanshu Gupta , Shashank Kirtania , Ananya Singha , Sumit Gulwani , Arjun Radhakrishna , Sherry Shi , Gustavo Soares

Retrieval-augmented generation (RAG) systems face a fundamental challenge in aligning independently developed retrievers and large language models (LLMs). Existing approaches typically involve modifying either component or introducing…

Computation and Language · Computer Science 2025-05-23 Guoxin Chen , Minpeng Liao , Peiying Yu , Dingmin Wang , Zile Qiao , Chao Yang , Xin Zhao , Kai Fan

Integrating large language models (LLMs) into personal assistants, like Xiao Ai and Blue Heart V, effectively enhances their ability to interact with humans, solve complex tasks, and manage IoT devices. Such assistants are also termed…

Multiagent Systems · Computer Science 2025-12-29 Guopeng Li , Ruiqi Wu , Haisheng Tan

Planning in complex environments requires an agent to efficiently query a world model to find a feasible sequence of actions from start to goal. Recent work has shown that Large Language Models (LLMs), with their rich prior knowledge and…

Artificial Intelligence · Computer Science 2024-12-10 Gonzalo Gonzalez-Pumariega , Wayne Chen , Kushal Kedia , Sanjiban Choudhury

Recent advances in prompt optimization, exemplified by methods such as TextGrad, enable automatic, gradient-like refinement of textual prompts to enhance the performance of large language models (LLMs) on specific downstream tasks. However,…

Artificial Intelligence · Computer Science 2025-08-27 Chunlong Wu , Zhibo Qu

Large Language Models excel in generative tasks but exhibit inefficiencies in structured text selection, particularly in extractive question answering. This challenge is magnified in resource-constrained environments, where deploying…

Computation and Language · Computer Science 2026-05-29 Yannis Montreuil , Shu Heng Yeo , Axel Carlier , Lai Xing Ng , Wei Tsang Ooi

Deep research agents (DRAs) integrate LLM reasoning with external tools. Memory systems enable DRAs to leverage historical experiences, which are essential for efficient reasoning and autonomous evolution. Existing methods rely on…

Artificial Intelligence · Computer Science 2026-04-21 Jingyang Qiao , Weicheng Meng , Yu Cheng , Zhihang Lin , Zhizhong Zhang , Xin Tan , Jingyu Gong , Kun Shao , Yuan Xie

Retrieval-Augmented Generation (RAG), which integrates external knowledge into Large Language Models (LLMs), has proven effective in enabling LLMs to produce more accurate and reliable responses. However, it remains a significant challenge…

Computation and Language · Computer Science 2025-02-11 Yan Weng , Fengbin Zhu , Tong Ye , Haoyan Liu , Fuli Feng , Tat-Seng Chua

Large language models (LLMs) excel at knowledge-intensive question answering and reasoning, yet their real-world deployment remains constrained by knowledge cutoff, hallucination, and limited interaction modalities. Augmenting LLMs with…

Computation and Language · Computer Science 2025-10-13 Daocheng Fu , Jianbiao Mei , Licheng Wen , Xuemeng Yang , Cheng Yang , Rong Wu , Tao Hu , Siqi Li , Yufan Shen , Xinyu Cai , Pinlong Cai , Botian Shi , Yong Liu , Yu Qiao

Large Language Models (LLMs) deployed on edge devices learn through fine-tuning and updating a certain portion of their parameters. Although such learning methods can be optimized to reduce resource utilization, the overall required…

Machine Learning · Computer Science 2024-05-09 Ruiyang Qin , Zheyu Yan , Dewen Zeng , Zhenge Jia , Dancheng Liu , Jianbo Liu , Zhi Zheng , Ningyuan Cao , Kai Ni , Jinjun Xiong , Yiyu Shi

Large Language Models (LLMs) have advanced Automated Heuristic Design (AHD) in combinatorial optimization (CO) in the past few years. However, existing discovery pipelines often require extensive manual trial-and-error or reliance on domain…

Neural and Evolutionary Computing · Computer Science 2026-02-19 Mingxin Yu , Ruixiao Yang , Chuchu Fan

Traditional approaches for designing analog circuits are time-consuming and require significant human expertise. Existing automation efforts using methods like Bayesian Optimization (BO) and Reinforcement Learning (RL) are sub-optimal and…

Machine Learning · Computer Science 2025-06-06 Dimple Vijay Kochar , Hanrui Wang , Anantha Chandrakasan , Xin Zhang

Reinforcement learning (RL) has emerged as a powerful tool for fine-tuning large language models (LLMs) to improve complex reasoning abilities. However, state-of-the-art policy optimization methods often suffer from high computational…

Machine Learning · Computer Science 2025-05-28 Kianté Brantley , Mingyu Chen , Zhaolin Gao , Jason D. Lee , Wen Sun , Wenhao Zhan , Xuezhou Zhang

The design of Analog and Mixed-Signal (AMS) integrated circuits (ICs) often involves significant manual effort, especially during the transistor sizing process. While Machine Learning techniques in Electronic Design Automation (EDA) have…

Machine Learning · Computer Science 2025-09-03 Chang Liu , Emmanuel A. Olowe , Danial Chitnis

In dynamic open-world environments, autonomous agents often encounter novelties that hinder their ability to find plans to achieve their goals. Specifically, traditional symbolic planners fail to generate plans when the robot's planning…

Robotics · Computer Science 2026-03-13 Hong Lu , Pierrick Lorang , Timothy R. Duggan , Jivko Sinapov , Matthias Scheutz

In this study, we propose a novel human-like memory architecture designed for enhancing the cognitive abilities of large language model based dialogue agents. Our proposed architecture enables agents to autonomously recall memories…

Human-Computer Interaction · Computer Science 2024-04-02 Yuki Hou , Haruki Tamoto , Homei Miyashita

Large language models (LLMs) have demonstrated impressive performance across various language tasks. However, existing LLM reasoning strategies mainly rely on the LLM itself with fast or slow mode (like o1 thinking) and thus struggle to…

Artificial Intelligence · Computer Science 2026-01-21 Jinwu Hu , Dongjin Yang , Langyu Bian , Zhiquan Wen , Yufeng Wang , Yaofo Chen , Bin Xiao , Yuanqing Li , Mingkui Tan

Robotic agents must master common sense and long-term sequential decisions to solve daily tasks through natural language instruction. The developments in Large Language Models (LLMs) in natural language processing have inspired efforts to…

Robotics · Computer Science 2024-09-16 Yaran Chen , Wenbo Cui , Yuanwen Chen , Mining Tan , Xinyao Zhang , Dongbin Zhao , He Wang

While large language models (LLMs) have shown promise in the table question answering (TQA) task through prompt engineering, they face challenges in industrial applications, including structural heterogeneity, difficulties in target data…

Computation and Language · Computer Science 2025-09-03 Sishi Xiong , Ziyang He , Zhongjiang He , Yu Zhao , Changzai Pan , Jie Zhang , Zhenhe Wu , Shuangyong Song , Yongxiang Li