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Large Language Models (LLMs) have demonstrated remarkable performance on various tasks, yet their ability to extract and internalize deeper insights from domain-specific datasets remains underexplored. In this study, we investigate how…

Large Language Models (LLMs) have reshaped our world with significant advancements in science, engineering, and society through applications ranging from scientific discoveries and medical diagnostics to Chatbots. Despite their ubiquity and…

Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically…

The AI for Nuclear Energy workshop at Oak Ridge National Laboratory evaluated the potential of Large Language Models (LLMs) to accelerate fusion and fission research. Fourteen interdisciplinary teams explored diverse nuclear science…

Large Language Models are cognitively biased judges. Large Language Models (LLMs) have recently been shown to be effective as automatic evaluators with simple prompting and in-context learning. In this work, we assemble 15 LLMs of four…

Large Language Models (LLMs) have revolutionized Natural Language Processing (NLP) but demand massive GPU resources for training. Lowering the threshold for LLMs training would encourage greater participation from researchers, benefiting…

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

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) bear promise as a fast and accurate material modeling paradigm for evaluation, analysis, and design. Their vast number of trainable parameters necessitates a wealth of data to achieve accuracy and mitigate…

We introduce LAMPO, a novel paradigm that leverages Large Language Models (LLMs) for solving few-shot multi-class ordinal classification tasks. Unlike conventional methods, which concatenate all demonstration examples with the test instance…

While pre-trained language models (PLMs) have shown evidence of acquiring vast amounts of knowledge, it remains unclear how much of this parametric knowledge is actually usable in performing downstream tasks. We propose a systematic…

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

The ability of Large Language Models (LLMs) to extract context from natural language problem descriptions naturally raises questions about their suitability in autonomous decision-making settings. This paper studies the behaviour of these…

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

This work presents an ontology-integrated large language model (LLM) framework for chemical engineering that unites structured domain knowledge with generative reasoning. The proposed pipeline aligns model training and inference with the…

Automatically annotating job data with standardized occupations from taxonomies, known as occupation classification, is crucial for labor market analysis. However, this task is often hindered by data scarcity and the challenges of manual…

Iterative preference optimization has recently become one of the de-facto training paradigms for large language models (LLMs), but the performance is still underwhelming due to too much noisy preference data yielded in the loop. To combat…

Predictive analysis is a cornerstone of modern decision-making, with applications in various domains. Large Language Models (LLMs) have emerged as powerful tools in enabling nuanced, knowledge-intensive conversations, thus aiding in complex…

Large Language Models (LLMs) have become integral components in various autonomous agent systems. In this study, we present an exploration-based trajectory optimization approach, referred to as ETO. This learning method is designed to…

This study investigates the concept of the `right to be forgotten' within the context of large language models (LLMs). We explore machine unlearning as a pivotal solution, with a focus on pre-trained models--a notably under-researched area.…