相关论文: Mol-Debate: Multi-Agent Debate Improves Structural…

Large language models (LLMs) excel in natural language generation but often confidently produce incorrect responses, especially in tasks like mathematical reasoning. Chain-of-thought prompting, self-verification, and multi-agent debate are…

This paper introduces DebateBrawl, an innovative AI-powered debate platform that integrates Large Language Models (LLMs), Genetic Algorithms (GA), and Adversarial Search (AS) to create an adaptive and engaging debating experience.…

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

Effective code generation with language models hinges on two critical factors: accurately understanding the intent of the prompt and generating code that applies algorithmic reasoning to produce correct solutions capable of passing diverse…

Text-guided molecule generation is a task where molecules are generated to match specific textual descriptions. Recently, most existing SMILES-based molecule generation methods rely on an autoregressive architecture. In this work, we…

Multi-agent systems have emerged as a powerful paradigm for automating scientific discovery. To differentiate agent behavior in the multi-agent system, current frameworks typically assign generic role-based personas such as ''reviewer'' or…

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

Reinforcement learning (RL) is emerging as a powerful paradigm for enabling large language models (LLMs) to perform complex reasoning tasks. Recent advances indicate that integrating RL with retrieval-augmented generation (RAG) allows LLMs…

Nuclear waste management requires rigorous regulatory compliance assessment, demanding advanced decision-support systems capable of addressing complex legal, environmental, and safety considerations. This paper presents a multi-agent…

Recent advances in large language models (LLMs) have enabled molecular reasoning for property prediction. However, toxicity arises from complex biological mechanisms beyond chemical structure, necessitating mechanistic reasoning for…

Despite the remarkable successes of large language models (LLMs), the underlying Transformer architecture has inherent limitations in handling complex reasoning tasks. Chain-of-thought (CoT) prompting has emerged as a practical workaround,…

Generative chemical language models (CLMs) have demonstrated strong capabilities in molecular design, yet their impact in drug discovery remains limited by the absence of reliable reward signals and the lack of interpretability in their…

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the…

Large Language Models (LLMs) have demonstrated potential in predicting mental health outcomes from online text, yet traditional classification methods often lack interpretability and robustness. This study evaluates structured reasoning…

Designers of online deliberative platforms aim to counter the degrading quality of online debates. Support technologies such as machine learning and natural language processing open avenues for widening the circle of people involved in…

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Large language models (LLMs) have achieved impressive performance on knowledge-intensive tasks, yet they often struggle with multi-step reasoning due to the unstructured nature of retrieved context. While retrieval-augmented generation…

De novo drug design is a pivotal issue in pharmacology and a new area of focus in AI for science research. A central challenge in this field is to generate molecules with specific properties while also producing a wide range of diverse…

Answering complex medical questions requires not only domain expertise and patient-specific information, but also structured and multi-perspective reasoning. Existing multi-agent approaches often rely on fixed roles or shallow interaction…

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and…