Related papers: ChemReasoner: Heuristic Search over a Large Langua…

Designing effective auxiliary rewards for cooperative multi-agent systems remains challenging, as misaligned incentives can induce suboptimal coordination, particularly when sparse task rewards provide insufficient grounding for coordinated…

Large language models (LLMs) have recently advanced automatic heuristic design (AHD) for combinatorial optimization (CO), where candidate heuristics are iteratively proposed, evaluated, and refined. Most existing approaches search over…

Reasoning-Intensive Retrieval (RIR) targets retrieval settings where relevance is mediated by latent inferential links between a query and supporting evidence, rather than semantic similarity. Motivated by the emergent reasoning abilities…

The Retrieval-Augmented Language Model (RALM) has shown remarkable performance on knowledge-intensive tasks by incorporating external knowledge during inference, which mitigates the factual hallucinations inherited in large language models…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

While Vision-Language Models (VLMs) have demonstrated significant potential in chemical visual understanding, current models are predominantly optimized for direct visual question-answering tasks. This paradigm often results in "black-box"…

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Effective query reformulation is pivotal in narrowing the gap between a user's exploratory search behavior and the identification of relevant products in e-commerce environments. While traditional approaches predominantly model query…

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address…

The discovery of high-performance organic photocatalysts for hydrogen evolution remains limited by the vastness of chemical space and the reliance on human intuition for molecular design. Here we present ChemNavigator, an agentic AI system…

High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…

Mathematical reasoning and optimization are fundamental to artificial intelligence and computational problem-solving. Recent advancements in Large Language Models (LLMs) have significantly improved AI-driven mathematical reasoning, theorem…

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Large language models (LLMs) have notably progressed in multi-step and long-chain reasoning. However, extending their reasoning capabilities to encompass deep interactions with search remains a non-trivial challenge, as models often fail to…

Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and…

Large Language Models (LLMs) are a class of generative AI models built using the Transformer network, capable of leveraging vast datasets to identify, summarize, translate, predict, and generate language. LLMs promise to revolutionize…

While model serving has unlocked unprecedented capabilities, the high cost of serving large-scale models continues to be a significant barrier to widespread accessibility and rapid innovation. Compiler optimizations have long driven…

Large Language Models (LLMs) have shown remarkable capabilities in reasoning, exemplified by the success of OpenAI-o1 and DeepSeek-R1. However, integrating reasoning with external search processes remains challenging, especially for complex…

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

The integration of Retrieval-Augmented Generation (RAG) with Multimodal Large Language Models (MLLMs) has revolutionized information retrieval and expanded the practical applications of AI. However, current systems struggle in accurately…