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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…

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships…

Scientific reasoning poses an excessive challenge for even the most advanced Large Language Models (LLMs). To make this task more practical and solvable for LLMs, we introduce a new task setting named tool-augmented scientific reasoning.…

Relational learning is a challenging problem that has motivated a wide range of approaches, including graph-based models (e.g., graph neural networks, graph transformers), tabular methods (e.g., tabular foundation models), and…

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Recent developments in large language models (LLMs) have unlocked new opportunities for healthcare, from information synthesis to clinical decision support. These new LLMs are not just capable of modeling language, but can also act as…

As large language models (LLMs) increasingly exhibit human-like capabilities, a fundamental question emerges: How can we enable LLMs to learn the underlying patterns from limited examples in entirely novel environments and apply them…

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Despite the surge of interest in autonomous scientific discovery (ASD) of software artifacts (e.g., improved ML algorithms), current ASD systems face two key limitations: (1) they largely explore variants of existing codebases or similarly…

In this paper, we present a novel approach to improving software quality and efficiency through a Large Language Model (LLM)-based model designed to review code and identify potential issues. Our proposed LLM-based AI agent model is trained…

Large Language Models (LLMs), despite their advancements, are fundamentally limited by their static parametric knowledge, hindering performance on tasks requiring open-domain up-to-date information. While enabling LLMs to interact with…

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

While large language models (LLMs) have shown promise in automating data science, existing agents often struggle with the complexity of real-world workflows that require exploring multiple sources and synthesizing open-ended insights. In…

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Recent studies have uncovered the potential of Large Language Models (LLMs) in addressing complex sequential decision-making tasks through the provision of high-level instructions. However, LLM-based agents lack specialization in tackling…

Systematic literature review (SLR) is foundational to evidence-based research, enabling scholars to identify, classify, and synthesize existing studies to address specific research questions. Conducting an SLR is, however, largely a manual…

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…