相关论文: Empowering LLMs for Structure-Based Drug Design vi…

Continuing advances in Large Language Models (LLMs) in artificial intelligence offer important capacities in intuitively accessing and using medical knowledge in many contexts, including education and training as well as assessment and…

We present MeshLLM, a novel framework that leverages large language models (LLMs) to understand and generate text-serialized 3D meshes. Our approach addresses key limitations in existing methods, including the limited dataset scale when…

We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…

In this paper, we describe the capabilities and constraints of Large Language Models (LLMs) within disparate academic disciplines, aiming to delineate their strengths and limitations with precision. We examine how LLMs augment scientific…

Large language models (LLMs) have demonstrated immense capabilities in understanding textual data and are increasingly being adopted to help researchers accelerate scientific discovery through knowledge extraction (information retrieval),…

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

The proliferation of Large Language Models (LLMs) in medicine has enabled impressive capabilities, yet a critical gap remains in their ability to perform systematic, transparent, and verifiable reasoning, a cornerstone of clinical practice.…

Dense retrieval is a crucial task in Information Retrieval (IR), serving as the basis for downstream tasks such as re-ranking and augmenting generation. Recently, large language models (LLMs) have demonstrated impressive semantic…

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Large Language Models (LLMs) have achieved impressive results across numerous domains, yet they experience notable deficiencies in legal question-answering tasks. LLMs often generate generalized responses that lack the logical specificity…

The rise of large language models (LLMs) has introduced transformative potential in automated code generation, addressing a wide range of software engineering challenges. However, empirical evaluation of LLM-based code generation lacks…

Despite their success in many domains, large language models (LLMs) remain under-studied in scenarios requiring optimal decision-making under uncertainty. This is crucial as many real-world applications, ranging from personalized…

Large Language Models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks, particularly when augmented with search mechanisms that enable systematic exploration of external knowledge bases. The field has evolved from…

This paper explores the use of Large Language Models (LLMs) for sequential recommendation, which predicts users' future interactions based on their past behavior. We introduce a new concept, "Integrating Recommendation Systems as a New…

The capacity of large language models (LLMs) to generate honest, harmless, and helpful responses heavily relies on the quality of user prompts. However, these prompts often tend to be brief and vague, thereby significantly limiting the full…

The extraction and standardization of pharmacokinetic (PK) information from scientific literature remain significant challenges in computational pharmacology, which limits the reliability of data-driven models in drug development. Large…

Qualitative analysis of textual contents unpacks rich and valuable information by assigning labels to the data. However, this process is often labor-intensive, particularly when working with large datasets. While recent AI-based tools…

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability.…

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…