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Agentic Retrieval Augmented Generation (RAG) and 'deep research' systems aim to enable autonomous search processes where Large Language Models (LLMs) iteratively refine outputs. However, applying these systems to domain-specific…

Large language models (LLMs) exhibit strong symbolic and compositional reasoning, yet they struggle with time series question answering as the data is typically transformed into an LLM-compatible modality, e.g., serialized text, plotted…

Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain…

Real-world image restoration (IR) is inherently complex and often requires combining multiple specialized models to address diverse degradations. Inspired by human problem-solving, we propose AgenticIR, an agentic system that mimics the…

Despite rapid development, large language models (LLMs) still encounter challenges in multi-turn decision-making tasks (i.e., agent tasks) like web shopping and browser navigation, which require making a sequence of intelligent decisions…

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…

Modern clinical practice relies on evidence-based guidelines implemented as compact scoring systems composed of a small number of interpretable decision rules. While machine-learning models achieve strong performance, many fail to translate…

The advances made by Large Language Models (LLMs) have led to the pursuit of LLM agents that can solve intricate, multi-step reasoning tasks. As with any research pursuit, benchmarking and evaluation are key corner stones to efficient and…

Large Language Models (LLMs) have shown promising performance in time series modeling tasks, but do they truly understand time series data? While multiple benchmarks have been proposed to answer this fundamental question, most are manually…

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents…

Large language models (LLMs) have achieved remarkable outcomes in complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet, few works have explored the potential of LLMs in quantum computing. The most…

Large language models (LLMs) and emerging agentic frameworks are beginning to transform single-cell biology by enabling natural-language reasoning, generative annotation, and multimodal data integration. However, progress remains fragmented…

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

The AI community has been exploring a pathway to artificial general intelligence (AGI) by developing "language agents", which are complex large language models (LLMs) pipelines involving both prompting techniques and tool usage methods.…

The evolution of Large Language Models (LLMs) from passive text generators to autonomous, goal-driven systems represents a fundamental shift in artificial intelligence. This chapter examines the emergence of agentic AI systems that…

The recent advance in Large Language Models (LLMs) has shaped a new paradigm of AI agents, i.e., LLM-based agents. Compared to standalone LLMs, LLM-based agents substantially extend the versatility and expertise of LLMs by enhancing LLMs…

Data preparation, which aims to transform heterogeneous and noisy raw tables into analysis-ready data, remains a major bottleneck in data science. Recent approaches leverage large language models (LLMs) to automate data preparation from…

Background: There is great interest in agentic LLMs, large language models that act as agents. Objectives: We review the growing body of work in this area and provide a research agenda. Methods: Agentic LLMs are LLMs that (1) reason, (2)…

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Recent advances in agentic AI have enabled increasingly autonomous workflows, but existing systems still face substantial challenges in achieving reliable deployment in real-world scientific research. In this work, we present a safe,…