相关论文: El Agente: An Autonomous Agent for Quantum Chemist…

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

High-quality personalized question banks are crucial for supporting adaptive learning and individualized assessment. Manually designing questions is time-consuming and often fails to meet diverse learning needs, making automated question…

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the…

Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we test the potential of such agents for knowledge discovery in…

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Large Language Model (LLM) agents have demonstrated remarkable capabilities in organizing and executing complex tasks, and many such agents are now widely used in various application scenarios. However, developing these agents requires…

Large language models (LLMs) have achieved remarkable success in generating fluent and contextually appropriate text; however, their capacity to produce genuinely creative outputs remains limited. This paper posits that this limitation…

With the rapid advancements in Large Language Models (LLMs), an increasing number of studies have leveraged LLMs as the cognitive core of agents to address complex task decision-making challenges. Specially, recent research has demonstrated…

Quantum process tomography (QPT) is a fundamental tool for fully characterizing quantum systems. It relies on querying a set of quantum states as input to the quantum process. Previous QPT methods typically employ a straightforward strategy…

Large Language Model (LLM) web agents often struggle with long-horizon web navigation and web task completion in new websites, producing inefficient action sequences unless fine-tuned on environment-specific data. We show that…

Corpus distillation for biomedical large language models (LLMs) seeks to address the pressing challenge of insufficient quantity and quality in open-source annotated scientific corpora, which remains a bottleneck for effective LLM training…

Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

Recent advancements in large language models (LLMs) have led to the creation of intelligent agents capable of performing complex tasks. This paper introduces a novel LLM-based multimodal agent framework designed to operate smartphone…

The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

Temporal Knowledge Graph Question Answering (TKGQA) is challenging because it requires multi-hop reasoning under complex temporal constraints. Recent LLM-based approaches have improved semantic modeling for this task, but many still rely on…

LLM-based autonomous agents perform well on general reasoning tasks but still struggle to reliably use task structure, key constraints, and prior experience in complex real-world settings. We propose a case-based learning framework that…