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Large language models (LLMs), especially Explicit Long Chain-of-Thought (CoT) reasoning models like DeepSeek-R1 and QWQ, have demonstrated powerful reasoning capabilities, achieving impressive performance in commonsense reasoning and…

While large language models (LLMs) have demonstrated exceptional performance in recent natural language processing (NLP) tasks, their deployment poses substantial challenges due to high computational and memory demands in real-world…

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…

Large-scale task planning is a major challenge. Recent work exploits large language models (LLMs) directly as a policy and shows surprisingly interesting results. This paper shows that LLMs provide a commonsense model of the world in…

Mathematical reasoning has long represented one of the most fundamental and challenging frontiers in artificial intelligence research. In recent years, large language models (LLMs) have achieved significant advances in this area. This…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Recent advances in language models opened new opportunities to address complex schema matching tasks. Schema matching approaches have been proposed that demonstrate the usefulness of language models, but they have also uncovered important…

Large Language Models (LLMs) have demonstrated impressive reasoning abilities through test-time computation (TTC) techniques such as chain-of-thought prompting and tree-based reasoning. However, we argue that current reasoning LLMs (RLLMs)…

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose…

Large language models (LLMs) have recently attracted considerable interest for their ability to perform complex reasoning tasks, such as chain-of-thought (CoT) reasoning. However, most of the existing approaches to enhance this ability rely…

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Exploring the capabilities of Large Language Models (LLMs) in puzzle solving unveils critical insights into their potential and challenges in AI, marking a significant step towards understanding their applicability in complex reasoning…

Monte Carlo Tree Search (MCTS) is an effective test-time compute scaling (TTCS) method for improving the reasoning performance of large language models, but its highly variable execution time leads to severe long-tail latency in practice.…

Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search. However, it remains difficult to provide instant and…

Large language Model (LLM)-assisted algorithm discovery is an iterative, black-box optimization process over programs to approximatively solve a target task, where an LLM proposes candidate programs and an external evaluator provides task…

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Large Language Models (LLMs) have unveiled remarkable capabilities in understanding and generating both natural language and code, but LLM reasoning is prone to hallucination and struggle with complex, novel scenarios, often getting stuck…

Although Large Language Models (LLMs) achieve remarkable performance across various tasks, they often struggle with complex reasoning tasks, such as answering mathematical questions. Recent efforts to address this issue have primarily…

While chain-of-thought prompting with Best-of-N (BoN) selection has become popular for mathematical reasoning in large language models (LLMs), its linear structure fails to capture the branching and exploratory nature of complex…

Large Language Models (LLMs) have emerged as powerful tools in artificial intelligence, especially in complex decision-making scenarios, but their static problem-solving strategies often limit their adaptability to dynamic environments. We…