相关论文: LLMatDesign: Autonomous Materials Discovery with L…

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…

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated…

Large language models (LLMs) enable researchers to analyze text at unprecedented scale and minimal cost. Researchers can now revisit old questions and tackle novel ones with rich data. We provide an econometric framework for realizing this…

Large Language Models (LLMs) based agents are transforming the programming language landscape by facilitating learning for beginners, enabling code generation, and optimizing documentation workflows. Hardware Description Languages (HDLs),…

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language…

Data-driven approaches for material discovery and design have been accelerated by emerging efforts in machine learning. However, general representations of crystals to explore the vast material search space remain limited. We introduce a…

Natural Language Processing (NLP) is witnessing a remarkable breakthrough driven by the success of Large Language Models (LLMs). LLMs have gained significant attention across academia and industry for their versatile applications in text…

Large language models (LLMs) are a class of language models that have demonstrated outstanding performance across a range of natural language processing (NLP) tasks and have become a highly sought-after research area, because of their…

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Tagging systems play an essential role in various information retrieval applications such as search engines and recommender systems. Recently, Large Language Models (LLMs) have been applied in tagging systems due to their extensive world…

Charts are the dominant medium for visualizing data, discovering patterns and trends, and communicating data driven insights, yet designing them still requires expensive human effort and expertise, such as selecting appropriate chart types,…

Lexical Semantic Change Detection stands out as one of the few areas where Large Language Models (LLMs) have not been extensively involved. Traditional methods like PPMI, and SGNS remain prevalent in research, alongside newer BERT-based…

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…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Design assistants are frameworks, tools or applications intended to facilitate both the creative and technical facets of design processes. Large language models (LLMs) are AI systems engineered to analyze and produce text resembling human…

This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To…

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

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…