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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…
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…
As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in…
Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…
AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…
Advances in large language models (LLMs) have created new opportunities in data science, but their deployment is often limited by the challenge of finding relevant data in large data lakes. Existing methods struggle with this: both single-…
Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…
Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…
Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…
Recent advances in AI and ML have transformed data science, yet increasing complexity and expertise requirements continue to hinder progress. Although crowd-sourcing platforms alleviate some challenges, high-level machine learning…
In recent years, Large Language Models (LLMs) have emerged as transformative tools across numerous domains, impacting how professionals approach complex analytical tasks. This systematic mapping study comprehensively examines the…
The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention…
Agentic AI systems -- Large Language Models (LLMs) augmented with planning, tool use, memory, and long-horizon interactions -- can execute complex tasks autonomously, but their multi-step trajectories introduce new failure modes that…
Autonomous agents powered by large language models (LLMs) have garnered significant research attention. However, fully harnessing the potential of LLMs for agent-based tasks presents inherent challenges due to the heterogeneous nature of…
Fine-tuning on agent-environment interaction trajectory data holds significant promise for surfacing generalized agent capabilities in open-source large language models (LLMs). In this work, we introduce AgentBank, by far the largest…
Equipping large language models (LLMs) with complex, interleaved reasoning and tool-use capabilities has become a key focus in agentic AI research, especially with recent advances in reasoning-oriented (``thinking'') models. Such…
The arrival of large language models (LLMs) capable of multi-step reasoning, tool use, and long-horizon planning has produced a qualitative shift in software engineering. Where earlier code-completion tools such as GitHub Copilot operated…
Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…
While Large Multimodal Models (LMMs) demonstrate impressive visual perception, they remain epistemically constrained by their static parametric knowledge. To transcend these boundaries, multimodal search models have been adopted to actively…
Large language models (LLMs) are increasingly used in clinical settings, raising concerns about racial bias in both generated medical text and clinical reasoning. Existing studies have identified bias in medical LLMs, but many focus on…