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

Computing students increasingly rely on generative AI tools for programming assistance, often without formal instruction or guidance. This highlights a need to teach students how to effectively interact with AI models, particularly through…

With the increasing demand for step-wise, cross-modal, and knowledge-grounded reasoning, multimodal large language models (MLLMs) are evolving beyond the traditional fixed retrieve-then-generate paradigm toward more sophisticated agentic…

Multiagent collaboration has emerged as a promising framework for enhancing the reasoning capabilities of large language models (LLMs). Despite improvements in reasoning, the approach introduces substantial computational overhead resulting…

Retrieval-Augmented Generation (RAG) systems are increasingly diverse, yet many suffer from monolithic designs that tightly couple core functions like query reformulation, retrieval, reasoning, and verification. This limits their…

Multi-Agent Debate (MAD) is a collaborative framework in which multiple agents iteratively refine solutions through the generation of reasoning and alternating critique cycles. Current work primarily optimizes intra-round topologies and…

Retrieval augmented generation (RAG) has shown great power in improving Large Language Models (LLMs). However, most existing RAG-based LLMs are dedicated to retrieving single modality information, mainly text; while for many real-world…

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases and partially generated by large language models. Designed…

Recent advances in large language models (LLMs) have demonstrated the power of reasoning through self-generated chains of thought. Multiple reasoning agents can collaborate to raise joint reasoning quality above individual outcomes.…

Scientific ideation aims to propose novel solutions within a given scientific context. Existing LLM-based agentic approaches emulate human research workflows, yet inadequately model scientific reasoning, resulting in surface-level…

Multi-turn jailbreaks exploit the ability of large language models to accumulate and act on conversational context. Instead of stating a harmful request directly, an attacker can gradually steer the conversation toward an unsafe answer.…

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Understanding artworks requires multi-step reasoning over visual content and cultural, historical, and stylistic context. While recent multimodal large language models show promise in artwork explanation, they rely on implicit reasoning and…

Designing sustainable medical devices requires balancing environmental, economic, and social demands, yet trade-offs across these pillars are difficult to identify using manual assessment alone. Current methods depend heavily on expert…

This paper addresses the challenge of comprehending very long contexts in Large Language Models (LLMs) by proposing a method that emulates Retrieval Augmented Generation (RAG) through specialized prompt engineering and chain-of-thought…

Thinking aloud is an effective meta-cognitive strategy human reasoners apply to solve difficult problems. We suggest to improve the reasoning ability of pre-trained neural language models in a similar way, namely by expanding a task's…

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Real-world mathematical modeling is inherently an experiential and collaborative endeavor. Domain experts rarely solve complex problems from scratch; instead, they draw upon analogies from historical cases and subject their hypotheses to…

Knowledge-aided dialogue response generation aims at augmenting chatbots with relevant external knowledge in the hope of generating more informative responses. The majority of previous work assumes that the relevant knowledge is given as…

Pharmaceutical process design and development for generic, innovative, or personalized drugs have always been a time-consuming, costly, rigorous process, that involves multi-stage evaluation for better quality control and assurance. Large…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…