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Recent Large Language Models (LLMs) such as OpenAI o3-mini and DeepSeek-R1 use enhanced reasoning through Chain-of-Thought (CoT). Their potential in hardware design, which relies on expert-driven iterative optimization, remains unexplored.…

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Since ancient times, mechanical design aids have been developed to assist human users, aimed at improving the efficiency and effectiveness of design. However, even with the widespread use of contemporary Computer-Aided Design (CAD) systems,…

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Protein engineering is important for biomedical applications, but conventional approaches are often inefficient and resource-intensive. While deep learning (DL) models have shown promise, their training or implementation into protein…

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

Large Language Models (LLMs) were shown to struggle with long-term planning, which may be caused by the limited way in which they explore the space of possible solutions. We propose an architecture where a Reinforcement Learning (RL) Agent…

With the rapid evolution of global autonomous driving technology, the demand for its core sensing hardware, Light Detection and Ranging (LiDAR), is escalating. As the light source part of the LiDAR system, lasers, particularly the…

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Software agents, both human and computational, do not exist in isolation and often need to collaborate or coordinate with others to achieve their goals. In human society, social mechanisms such as norms ensure efficient functioning, and…

Large Language Models (LLMs) have transformed software engineering, but their application to physical engineering domains remains underexplored. This paper evaluates LLMs' capabilities in high-powered rocketry design through RocketBench, a…

Large Language Models (LLMs) have shown remarkable capabilities in natural language tasks requiring complex reasoning, yet their application in agentic, multi-step reasoning within interactive environments remains a difficult challenge.…

The advent of Large Language Models (LLMs) has created new opportunities for the automation of scientific research spanning both experimental processes and computational simulations. This study explores the feasibility of constructing an…

A Large Language Model (LLM) represents a cutting-edge artificial intelligence model that generates coherent content, including grammatically precise sentences, human-like paragraphs, and syntactically accurate code snippets. LLMs can play…

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e.,…