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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

Recently, Large Language Models (LLMs) have achieved significant success, prompting increased interest in expanding their generative capabilities beyond general text into domain-specific areas. This study investigates the generation of…

Computer Vision and Pattern Recognition · Computer Science 2025-06-11 Jiahao Li , Weijian Ma , Xueyang Li , Yunzhong Lou , Guichun Zhou , Xiangdong Zhou

3D spatial understanding is essential in real-world applications such as robotics, autonomous vehicles, virtual reality, and medical imaging. Recently, Large Language Models (LLMs), having demonstrated remarkable success across various…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 Jirong Zha , Yuxuan Fan , Xiao Yang , Chen Gao , Xinlei Chen

Current large multimodal models (LMMs) face challenges in grounding, which requires the model to relate language components to visual entities. Contrary to the common practice that fine-tunes LMMs with additional grounding supervision, we…

Computer Vision and Pattern Recognition · Computer Science 2025-10-17 Shengcao Cao , Liang-Yan Gui , Yu-Xiong Wang

Large language models (LLMs) constitute a breakthrough state-of-the-art Artificial Intelligence technology which is rapidly evolving and promises to aid in medical diagnosis. However, the correctness and the accuracy of their returns has…

Computation and Language · Computer Science 2024-02-07 Dimitrios P. Panagoulias , Maria Virvou , George A. Tsihrintzis

Large language models (LLMs) achieve impressive results over various tasks, and ever-expanding public repositories contain an abundance of pre-trained models. Therefore, identifying the best-performing LLM for a given task is a significant…

Computation and Language · Computer Science 2025-11-13 Idan Kashani , Avi Mendelson , Yaniv Nemcovsky

Humans constantly reason about 3D proximity, the relations between their body and surrounding objects, to guide perception and action in daily life. Whether multimodal large language models (MLLMs) can perform such embodied 3D reasoning…

Computer Vision and Pattern Recognition · Computer Science 2026-05-27 Jinzhao Li , Yinuo Chen , Dongxu Piao , Panwang Pan , Yifan Yu , Dong Wang , Honglei Yan , Liang Yue , Shaofei Wang , Yixin Chen , Siyuan Huang , Miao Liu

Pre-trained large language models (LLMs) exhibit powerful capabilities for generating natural text. Evolutionary algorithms (EAs) can discover diverse solutions to complex real-world problems. Motivated by the common collective and…

Neural and Evolutionary Computing · Computer Science 2025-03-10 Chao Wang , Jiaxuan Zhao , Licheng Jiao , Lingling Li , Fang Liu , Shuyuan Yang

Integrating Large Language Models (LLMs) and Evolutionary Computation (EC) represents a promising avenue for advancing artificial intelligence by combining powerful natural language understanding with optimization and search capabilities.…

Neural and Evolutionary Computing · Computer Science 2025-05-22 Dikshit Chauhan , Bapi Dutta , Indu Bala , Niki van Stein , Thomas Bäck , Anupam Yadav

Entity matching (EM) is a critical task in data integration, aiming to identify records across different datasets that refer to the same real-world entities. Traditional methods often rely on manually engineered features and rule-based…

Computation and Language · Computer Science 2024-06-03 Qianyu Huang , Tongfang Zhao

Recent research on integrating Large Language Models (LLMs) with Graph Neural Networks (GNNs) typically follows two approaches: LLM-centered models, which convert graph data into tokens for LLM processing, and GNN-centered models, which use…

Machine Learning · Computer Science 2024-12-11 Haotong Yang , Xiyuan Wang , Qian Tao , Shuxian Hu , Zhouchen Lin , Muhan Zhang

Handling graph data is one of the most difficult tasks. Traditional techniques, such as those based on geometry and matrix factorization, rely on assumptions about the data relations that become inadequate when handling large and complex…

Machine Learning · Computer Science 2024-04-15 Zhenyu Qian , Yiming Qian , Yuting Song , Fei Gao , Hai Jin , Chen Yu , Xia Xie

Learning reward functions for physical skills are challenging due to the vast spectrum of skills, the high-dimensionality of state and action space, and nuanced sensory feedback. The complexity of these tasks makes acquiring expert…

Robotics · Computer Science 2023-10-24 Yuwei Zeng , Yiqing Xu

Large language models (LLMs) represent a significant advancement in integrating physical robots with AI-driven systems. We showcase the capabilities of our framework within the context of the real-world household competition. This research…

Robotics · Computer Science 2025-01-29 Shady Nasrat , Myungsu Kim , Seonil Lee , Jiho Lee , Yeoncheol Jang , Seung-joon Yi

Many scientific and geometric problems exhibit general linear symmetries, yet most equivariant neural networks are built for compact groups or simple vector features, limiting their reuse on matrix-valued data such as covariances, inertias,…

Machine Learning · Computer Science 2026-02-02 Chankyo Kim , Sicheng Zhao , Minghan Zhu , Tzu-Yuan Lin , Maani Ghaffari

We present LL3M, a multi-agent system that leverages pretrained large language models (LLMs) to generate 3D assets by writing interpretable Python code in Blender. We break away from the typical generative approach that learns from a…

Graphics · Computer Science 2025-08-12 Sining Lu , Guan Chen , Nam Anh Dinh , Itai Lang , Ari Holtzman , Rana Hanocka

Predicting the binding sites of target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized…

Biomolecules · Quantitative Biology 2024-07-24 Yang Zhang , Zhewei Wei , Ye Yuan , Chongxuan Li , Wenbing Huang

Large language models (LLMs) have made significant advancements in natural language understanding. However, through that enormous semantic representation that the LLM has learnt, is it somehow possible for it to understand images as well?…

Computer Vision and Pattern Recognition · Computer Science 2024-07-12 Mu Cai , Zeyi Huang , Yuheng Li , Utkarsh Ojha , Haohan Wang , Yong Jae Lee

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra
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