相关论文: DARWIN 1.5: Large Language Models as Materials Sci…

Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based materials property prediction, which hinders progress. We…

Large Language Models (LLMs) are transformative not only for daily activities but also for engineering tasks. However, current evaluations of LLMs in engineering exhibit two critical shortcomings: (i) the reliance on simplified use cases,…

Large language models (LLMs) exhibit cultural bias from overrepresented viewpoints in training data, yet cultural alignment remains a challenge due to limited cultural knowledge and a lack of exploration into effective learning approaches.…

Large language models (LLMs) deliver impressive results but face challenges from increasing model sizes and computational costs. Structured pruning reduces model size and speeds up inference but often causes uneven degradation across…

The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks for materials science. Many LLMs, however, often struggle with distinct complexities of material science tasks, such as materials…

Classification tasks are typically handled using Machine Learning (ML) models, which lack a balance between accuracy and interpretability. This paper introduces a new approach for classification tasks using Large Language Models (LLMs) in…

This research was focused on the efficient collection of experimental Metal-Organic Framework (MOF) data from scientific literature to address the challenges of accessing hard-to-find data and improving the quality of information available…

Large language models (LLMs) have recently been used as backbones for recommender systems. However, their performance often lags behind conventional methods in standard tasks like retrieval. We attribute this to a mismatch between LLMs'…

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…

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

For many fundamental physics applications, transformers, as the state of the art in learning complex correlations, benefit from pretraining on quasi-out-of-domain data. The obvious question is whether we can exploit Large Language Models,…

Large Language Models (LLMs) acquire extensive knowledge and remarkable abilities from extensive text corpora, making them powerful tools for various applications. To make LLMs more usable, aligning them with human preferences is essential.…

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

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…

In recent years, the development of Large Language Models (LLMs) has made significant breakthroughs in the field of natural language processing and has gradually been applied to the field of humanities and social sciences research. LLMs…

Continual learning has gained increasing importance as it facilitates the acquisition and refinement of scalable knowledge and skills in language models. However, existing methods typically encounter strict limitations and challenges in…

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

The identification of descriptors of materials properties and functions that capture the underlying physical mechanisms is a critical goal in data-driven materials science. Only such descriptors will enable a trustful and efficient scanning…

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…