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Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Large Language Models (LLMs) have emerged as a significant advancement in the field of Natural Language Processing (NLP), demonstrating remarkable capabilities in language generation and other language-centric tasks. Despite their…

Large vision-language models (LVLMs) have demonstrated exceptional capabilities in understanding visual information with human languages but also exhibit an imbalance in multilingual capabilities. In this work, we delve into the…

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations,…

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

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…

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

The conceptual design phase represents a critical early stage in the product development process, where designers generate potential solutions that meet predefined design specifications based on functional requirements. Functional modeling,…

Large Language Models (LLMs) have achieved remarkable success in various natural language processing tasks, including language modeling, understanding, and generation. However, the increased memory and computational costs associated with…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

While large language models (LLMs) have demonstrated impressive capabilities across various natural language processing tasks by acquiring rich factual knowledge from their broad training data, their ability to synthesize and logically…

The spread of scientific knowledge depends on how researchers discover and cite previous work. The adoption of large language models (LLMs) in the scientific research process introduces a new layer to these citation practices. However, it…

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Large Language Models (LLMs), typified by OpenAI's GPT, have marked a significant advancement in artificial intelligence. Trained on vast amounts of text data, LLMs are capable of understanding and generating human-like text across a…

The relentless expansion of scientific literature presents significant challenges for navigation and knowledge discovery. Within Research Information Retrieval, established tasks such as text summarization and classification remain crucial…

Large Language Models (LLMs) have emerged as powerful tools capable of accomplishing a broad spectrum of tasks. Their abilities span numerous areas, and one area where they have made a significant impact is in the domain of code generation.…

The rapid advancement of Large Language Models (LLMs) has introduced new possibilities and challenges in physics education, necessitating rigorous evaluation of their capabilities as both problem solvers and automated assessors. This paper…

Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable. Pretesting and expert judgement can be costly and slow,…

Diffusion large language models (dLLMs) have emerged as a new architecture following auto regressive models. Their denoising process offers a powerful generative advantage, but they present significant challenges in learning and…

Large Language Models (LLMs) have shown promise in highly-specialized domains, however challenges are still present in aspects of accuracy and costs. These limitations restrict the usage of existing models in domain-specific tasks. While…