Related papers: GRASP: Graph Reasoning Agents for Systems Pharmaco…

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and…

Large language models (LLMs) are increasingly used to automate scientific workflows, yet their integration with heterogeneous computational tools remains ad hoc and fragile. Current agentic approaches often rely on unstructured text to…

Graph Retrieval-Augmented Generation (GraphRAG) enhances factual reasoning in LLMs by structurally modeling knowledge through graph-based representations. However, existing GraphRAG approaches face two core limitations: shallow retrieval…

Automated optimization modeling (AOM) has evoked considerable interest with the rapid evolution of large language models (LLMs). Existing approaches predominantly rely on prompt engineering, utilizing meticulously designed expert response…

AI explanation methods often assume a static user model, producing non-adaptive explanations regardless of expert goals, reasoning strategies, or decision contexts. Knowledge graph-based explanations, despite their capacity for grounded,…

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing…

Graphs are a highly expressive data structure, but it is often difficult for humans to find patterns from a complex graph. Hence, generating human-interpretable sequences from graphs have gained interest, called graph2seq learning. It is…

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet…

Despite rapid progress, embodied agents still struggle with long-horizon manipulation that requires maintaining spatial consistency, causal dependencies, and goal constraints. A key limitation of existing approaches is that task reasoning…

We present the Thought Graph as a novel framework to support complex reasoning and use gene set analysis as an example to uncover semantic relationships between biological processes. Our framework stands out for its ability to provide a…

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Timely and accurate analysis of population-level data is crucial for effective decision-making during public health emergencies such as the COVID-19 pandemic. However, the massive input of semi-structured data, including structured…

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

In this paper, we present a novel diagnostic framework that integrates Knowledge Graphs (KGs) and Large Language Models (LLMs) to support system diagnostics in high-reliability systems such as nuclear power plants. Traditional diagnostic…

Large Language Models (LLMs) have achieved impressive results in processing text data, which has sparked interest in applying these models beyond textual data, such as graphs. In the field of graph learning, there is a growing interest in…

Recent advances in test-time scaling have enabled Large Language Models (LLMs) to display sophisticated reasoning abilities via extended Chain-of-Thought (CoT) generation. Despite their potential, these Reasoning LLMs (RLMs) often…

We study the problem of learning to reason in large scale knowledge graphs (KGs). More specifically, we describe a novel reinforcement learning framework for learning multi-hop relational paths: we use a policy-based agent with continuous…

Large language model (LLM)-based agents are increasingly used to perform complex, multi-step workflows in regulated settings such as compliance and due diligence. However, many agentic architectures rely primarily on prompt engineering of a…

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Modern large language model-based reasoning systems frequently recompute similar reasoning steps across tasks, wasting computational resources, inflating inference latency, and limiting reproducibility. These inefficiencies underscore the…