相关论文: LLM-Guided Monte Carlo Tree Search over Knowledge …

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…

Although Large Language Models (LLMs) excel at addressing straightforward reasoning tasks, they frequently struggle with difficulties when confronted by more complex multi-step reasoning due to a range of factors. Firstly, natural language…

In response to the lack of trust in Artificial Intelligence (AI) for sequential planning, we design a Computational Tree Logic-guided large language model (LLM)-based natural language explanation framework designed for the Monte Carlo Tree…

Probabilistic search algorithms, such as Monte Carlo Tree Search (MCTS), have proven very effective in solving sequential decision-making tasks under uncertainty. However, interpreting asymmetric search trees that incorporate bandit-based…

Despite significant progress, large language models (LLMs) still struggle with long contexts due to memory limitations and their inability to tackle complex and long-context tasks. Additionally, LLMs often suffer from a lack of transparency…

Deliberative tree search is a cornerstone of modern Large Language Model (LLM) research, driving the pivot from brute-force scaling toward algorithmic efficiency. This single paradigm unifies two critical frontiers: \textbf{Test-Time…

Recent advances in large language models have demonstrated considerable potential in scientific domains such as drug repositioning. However, their effectiveness remains constrained when reasoning extends beyond the knowledge acquired during…

Legal dispute analysis is crucial for intelligent legal assistance systems. However, current LLMs face significant challenges in understanding complex legal concepts, maintaining reasoning consistency, and accurately citing legal sources.…

Despite the advances in large language models (LLMs), how they use their knowledge for reasoning is not yet well understood. In this study, we propose a method that deconstructs complex real-world questions into a graph, representing each…

ChatGPT said: Text-attributed graphs, where nodes and edges contain rich textual information, are widely used across diverse domains. A central challenge in this setting is question answering, which requires jointly leveraging unstructured…

Large Language Models (LLMs) have shown remarkable capabilities across various domains, yet they struggle with knowledge-intensive tasks in areas that demand factual accuracy, e.g. industrial automation and healthcare. Key limitations…

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…

The advent of Large Language Models (LLMs) and Generative AI has revolutionized natural language applications across various domains. However, high-stakes decision-making tasks in fields such as medical, legal and finance require a level of…

Drug discovery is a critical task in biomedical natural language processing (NLP), yet explainable drug discovery remains underexplored. Meanwhile, large language models (LLMs) have shown remarkable abilities in natural language…

Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used.…

Large language models (LLMs) show promise for diagnostic reasoning but often lack reliable, knowledge grounded inference. Knowledge graphs (KGs), such as the Unified Medical Language System (UMLS), offer structured biomedical knowledge that…

We propose Knowledge Crosswords, a geometric knowledge reasoning benchmark consisting of incomplete knowledge networks bounded by structured factual constraints, where LLMs are tasked with inferring the missing facts to meet all…

Large language models (LLMs) have recently emerged as powerful tools, finding many medical applications. LLMs' ability to coalesce vast amounts of information from many sources to generate a response-a process similar to that of a human…

Large Language Models (LLMs) have demonstrated strong performance across a wide range of tasks, yet they still struggle with complex mathematical reasoning, a challenge fundamentally rooted in deep structural dependencies. To address this…

While large language models (LLMs) show great potential in temporal reasoning, most existing work focuses heavily on enhancing performance, often neglecting the explainable reasoning processes underlying the results. To address this gap, we…