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Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

In architectural interior design, miscommunication frequently arises as clients lack design knowledge, while designers struggle to explain complex spatial relationships, leading to delayed timelines and financial losses. Recent advancements…

Artificial Intelligence · Computer Science 2026-03-17 Ren Jian Lim , Rushi Dai

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Artificial Intelligence · Computer Science 2025-06-26 Junyan Cheng , Peter Clark , Kyle Richardson

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

Large language model (LLM) based agents have recently attracted much attention from the research and industry communities. Compared with original LLMs, LLM-based agents are featured in their self-evolving capability, which is the basis for…

Artificial Intelligence · Computer Science 2024-04-23 Zeyu Zhang , Xiaohe Bo , Chen Ma , Rui Li , Xu Chen , Quanyu Dai , Jieming Zhu , Zhenhua Dong , Ji-Rong Wen

Traditional control system design, reliant on expert knowledge and precise models, struggles with complex, nonlinear, or uncertain dynamics. This paper introduces AgenticControl, a novel multi-agent framework that automates controller…

Systems and Control · Electrical Eng. & Systems 2025-06-25 Mohammad Narimani , Seyyed Ali Emami

Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), offer a new route to accelerate this process by…

Materials Science · Physics 2026-01-30 Bo Hu , Siyu Liu , Beilin Ye , Yun Hao , Yanhui Liu , Yang Lu , Ju Li , David J. Srolovitz , Tongqi Wen

The advancement in generative AI could be boosted with more accessible mathematics. Beyond human-AI chat, large language models (LLMs) are emerging in programming, algorithm discovery, and theorem proving, yet their genomics application is…

Other Quantitative Biology · Quantitative Biology 2023-07-07 Melanie Swan , Takashi Kido , Eric Roland , Renato P. dos Santos

The emergence of Large Language Models (LLMs) with increasingly sophisticated natural language understanding and generative capabilities has sparked interest in the Agent-based Modelling (ABM) community. With their ability to summarize,…

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Large language model (LLM)-driven multi-agent systems (MAS) are transforming how humans and AIs collaboratively generate ideas and artifacts. While existing surveys provide comprehensive overviews of MAS infrastructures, they largely…

Human-Computer Interaction · Computer Science 2025-05-28 Yi-Cheng Lin , Kang-Chieh Chen , Zhe-Yan Li , Tzu-Heng Wu , Tzu-Hsuan Wu , Kuan-Yu Chen , Hung-yi Lee , Yun-Nung Chen

At the intersection of the rapidly growing biological data landscape and advancements in Natural Language Processing (NLP), protein language models (PLMs) have emerged as a transformative force in modern research. These models have achieved…

Biomolecules · Quantitative Biology 2025-02-12 Lei Wang , Xudong Li , Han Zhang , Jinyi Wang , Dingkang Jiang , Zhidong Xue , Yan Wang

Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit…

Biomolecules · Quantitative Biology 2026-05-28 Chen Wei , Fanding Xu , Minghao Sun , Zhiyuan Liu , Lin Wang , Tianrui Jia , Yihang Zhou , Yang Zhang

Latent representation alignment has become a foundational technique for constructing multimodal large language models (MLLM) by mapping embeddings from different modalities into a shared space, often aligned with the embedding space of…

Machine Learning · Computer Science 2025-03-06 Dong Shu , Bingbing Duan , Kai Guo , Kaixiong Zhou , Jiliang Tang , Mengnan Du

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online…

Artificial Intelligence · Computer Science 2025-02-18 Zhenfang Chen , Delin Chen , Rui Sun , Wenjun Liu , Chuang Gan

The development of AI agents based on large, open-domain language models (LLMs) has paved the way for the development of general-purpose AI assistants that can support human in tasks such as writing, coding, graphic design, and scientific…

Artificial Intelligence · Computer Science 2025-06-03 Mustafa Mert Çelikok , Saptarashmi Bandyopadhyay , Robert Loftin

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

Evaluation insights are limited by the availability of high-quality benchmarks. As models evolve, there is a need to create benchmarks that can measure progress on new and complex generative capabilities. However, manually creating new…

Machine Learning · Computer Science 2025-10-08 Natasha Butt , Varun Chandrasekaran , Neel Joshi , Besmira Nushi , Vidhisha Balachandran

Computer simulations offer a robust toolset for exploring complex systems across various disciplines. A particularly impactful approach within this realm is Agent-Based Modeling (ABM), which harnesses the interactions of individual agents…

Artificial Intelligence · Computer Science 2023-12-19 Zengqing Wu , Run Peng , Xu Han , Shuyuan Zheng , Yixin Zhang , Chuan Xiao