Related papers: Empowering LLMs for Structure-Based Drug Design vi…

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

As language models (LMs) deliver increasing performance on a range of NLP tasks, probing classifiers have become an indispensable technique in the effort to better understand their inner workings. A typical setup involves (1) defining an…

This paper investigates the utilization of Large Language Models (LLMs) for solving complex linguistic puzzles, a domain requiring advanced reasoning and adept translation capabilities akin to human cognitive processes. We explore specific…

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Large Language Models (LLMs) have demonstrated impressive capabilities in language generation and general task performance. However, their application to spoken language understanding (SLU) remains challenging, particularly for token-level…

Large language models (LLMs) represent words through contextual word embeddings encoding different language properties like semantics and syntax. Understanding these properties is crucial, especially for researchers investigating language…

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Large decoder-only language models (LLMs) have achieved remarkable success in generation and reasoning tasks, where they generate text responses given instructions. However, many applications, e.g., retrieval augmented generation (RAG),…

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Large Language Models demonstrate substantial promise for advancing scientific discovery, yet their deployment in disciplines demanding factual precision and specialized domain constraints presents significant challenges. Within molecular…

Despite the remarkable performance of large language models (LLMs) in text-to-SQL (SQL generation), correctly producing SQL queries remains challenging during initial generation. The SQL refinement task is subsequently introduced to correct…

This study applies Large Language Models (LLMs) to two foundational Electronic Health Record (EHR) data science tasks: structured data querying (using programmatic languages, Python/Pandas) and information extraction from unstructured…

Large language models (LLMs) holds significant promise in achieving general medication recommendation systems owing to their comprehensive interpretation of clinical notes and flexibility to medication encoding. We evaluated both…

Large language models (LLMs) are increasingly leveraged as foundational backbones in the development of advanced recommender systems, offering enhanced capabilities through their extensive knowledge and reasoning. Existing llm-based…

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Large Language Models (LLMs) encounter challenges with the unique syntax of specific domains, such as biomolecules. Existing fine-tuning or modality alignment techniques struggle to bridge the domain knowledge gap and understand complex…

Large language models (LLMs) have advanced general-purpose reasoning, showing strong performance across diverse tasks. However, existing methods often rely on implicit exploration, where the model follows stochastic and unguided reasoning…

This paper considers the challenges Large Language Models (LLMs) face when reasoning over text that includes information involving uncertainty explicitly quantified via probability values. This type of reasoning is relevant to a variety of…

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials…