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

Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge…

The emergence of advanced reasoning capabilities in Large Language Models (LLMs) marks a transformative development in healthcare applications. Beyond merely expanding functional capabilities, these reasoning mechanisms enhance decision…

Large language models (LLMs) have been a disruptive innovation in recent years, and they play a crucial role in our daily lives due to their ability to understand and generate human-like text. Their capabilities include natural language…

Designing proper experiments and selecting optimal intervention targets is a longstanding problem in scientific or causal discovery. Identifying the underlying causal structure from observational data alone is inherently difficult.…

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…

Most of the existing medication recommendation models are predicted with only structured data such as medical codes, with the remaining other large amount of unstructured or semi-structured data underutilization. To increase the utilization…

In sequential decision-making (SDM) tasks, methods like reinforcement learning (RL) and heuristic search have made notable advances in specific cases. However, they often require extensive exploration and face challenges in generalizing…

Large Language Models (LLMs) have shown remarkable ability in solving complex tasks, making them a promising tool for enhancing tabular learning. However, existing LLM-based methods suffer from high resource requirements, suboptimal…

Recent advancements in Multimodal Large Language Models (MLLMs) have significantly enhanced performance on 2D visual tasks. However, improving their spatial intelligence remains a challenge. Existing 3D MLLMs always rely on additional 3D or…

Molecular structure elucidation involves deducing a molecule's structure from various types of spectral data, which is crucial in chemical experimental analysis. While large language models (LLMs) have shown remarkable proficiency in…

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

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) 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…

Large language models (LLMs) have revolutionized natural language processing by achieving state-of-the-art performance across various tasks. Recently, their effectiveness as embedding models has gained attention, marking a paradigm shift…

Large language models (LLMs) have shown strong knowledge reserves and task-solving capabilities, but still face the challenge of severe hallucination, hindering their practical application. Though scientific theories and rules can…

Rule-based reasoning over natural language input arises in domains where decisions must be auditable and justifiable: clinical protocols specify eligibility criteria in prose, evidence rules define admissibility through textual conditions,…

Large language models (LLMs) are increasingly applied to scientific research, yet prevailing science benchmarks probe decontextualized knowledge and overlook the iterative reasoning, hypothesis generation, and observation interpretation…

Long-sequence decision-making, which is usually addressed through reinforcement learning (RL), is a critical component for optimizing strategic operations in dynamic environments, such as real-time bidding in computational advertising. The…

Large language models (LLMs) based on decoder-only transformers have demonstrated superior text understanding capabilities compared to CLIP and T5-series models. However, the paradigm for utilizing current advanced LLMs in text-to-image…