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Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Large Language Model (LLM) agents have emerged as powerful tools for automating complex tasks by leveraging the reasoning and decision-making abilities of LLMs. However, a major bottleneck in current agent frameworks lies in the high…

Tool learning with foundation models aims to endow AI systems with the ability to invoke external resources -- such as APIs, computational utilities, and specialized models -- to solve complex tasks beyond the reach of standalone language…

Enhancing fuel efficiency in public transportation requires the integration of complex multimodal data into interpretable, decision-relevant insights. However, traditional analytics and visualization methods often yield fragmented outputs…

Optimization is as much about modeling the right problem as solving it. Identifying the right objectives, constraints, and trade-offs demands extensive interaction between researchers and stakeholders. Large language models can empower…

As large language models (LLMs) become more specialized, we envision a future where millions of expert LLMs exist, each trained on proprietary data and excelling in specific domains. In such a system, answering a query requires selecting a…

Large Language Models (LLMs) often struggle to deliver accurate and actionable answers when user-provided information is incomplete or ill-specified. We propose a new interaction paradigm, First Ask Then Answer (FATA), in which, through…

Tool-using large language model (LLM) agents often face a fundamental tension between answer quality and execution cost. Fixed workflows are stable but inflexible, while free-form multi-step reasoning methods such as ReAct may improve task…

Large language models (LLMs) are incredibly powerful at comprehending and generating data in the form of text, but are brittle and error-prone. There has been an advent of toolkits and recipes centered around so-called prompt…

Large language models (LLMs) can be used as accessible and intelligent chatbots by constructing natural language queries and directly inputting the prompt into the large language model. However, different prompt' constructions often lead to…

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated…

Large Language Models (LLMs) are increasingly expected to handle complex decision-making tasks, yet their ability to perform structured resource allocation remains underexplored. Evaluating their reasoning is also difficult due to data…

Large language models (LLMs) have demonstrated strong reasoning and tool-use capabilities, yet they often fail in real-world tool-interactions due to incorrect parameterization, poor tool selection, or misinterpretation of user intent.…

Although Multi-Agent Reinforcement Learning (MARL) is effective for complex multi-robot tasks, it suffers from low sample efficiency and requires iterative manual reward tuning. Large Language Models (LLMs) have shown promise in…

The current technology landscape lacks a foundational AI model for solving process engineering calculations. In this work, we introduce a novel autonomous agent framework leveraging Retrieval-Augmented Instruction-Tuning (RAIT) to enhance…

Current Large Language Model (LLM) agents demonstrate strong reasoning and tool use capabilities, but often lack self-awareness, failing to balance these approaches effectively. This imbalance leads to Tool Overuse, where models…

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Multi-agent systems (MAS) increasingly solve complex tasks by orchestrating agents and tools selected from rapidly growing marketplaces. As these marketplaces expand, many candidates become functionally overlapping, making selection not…

Tabular foundation models are becoming increasingly popular for low-resource tabular problems. These models make up for small training datasets by pretraining on large volumes of synthetic data. The prior knowledge obtained via pretraining…

Recent advancements have enabled Large Language Models (LLMs) to function as agents that can perform actions using external tools. This requires registering, i.e., integrating tool information into the LLM context prior to taking actions.…