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Explaining the foundations for predictions obtained from graph neural networks (GNNs) is critical for credible use of GNN models for real-world problems. Owing to the rapid growth of GNN applications, recent progress in explaining…
Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…
Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…
Counterfactual explanations offer an intuitive way to interpret graph neural networks (GNNs) by identifying minimal changes that alter a model's prediction, thereby answering "what must differ for a different outcome?". In this work, we…
Graph are a ubiquitous data representation, as they represent a flexible and compact representation. For instance, the 3D structure of RNA can be efficiently represented as $\textit{2.5D graphs}$, graphs whose nodes are nucleotides and…
We propose a new, training-free method, Graph Reasoning via Retrieval Augmented Framework (GRRAF), that harnesses retrieval-augmented generation (RAG) alongside the code-generation capabilities of large language models (LLMs) to address a…
Knowledge graphs provide structured context for multi-hop question answering, but deployed systems must balance answer accuracy with strict latency and cost targets while preserving provenance. Static k-hop expansions and "think-longer"…
Retrosynthesis is one of the fundamental problems in organic chemistry. The task is to identify reactants that can be used to synthesize a specified product molecule. Recently, computer-aided retrosynthesis is finding renewed interest from…
Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and…
There have been several post-hoc explanation approaches developed to explain pre-trained black-box neural networks. However, there is still a gap in research efforts toward designing neural networks that are inherently explainable. In this…
Aside from graph neural networks (GNNs) attracting significant attention as a powerful framework revolutionizing graph representation learning, there has been an increasing demand for explaining GNN models. Although various explanation…
The problem of interpreting the decisions of machine learning is a well-researched and important. We are interested in a specific type of machine learning model that deals with graph data called graph neural networks. Evaluating…
Retrieval-augmented generation (RAG) has been extensively employed to mitigate hallucinations in large language models (LLMs). However, existing methods for multi-hop reasoning tasks often lack global planning, increasing the risk of…
We introduce AccurateRAG -- a novel framework for constructing high-performance question-answering applications based on retrieval-augmented generation (RAG). Our framework offers a pipeline for development efficiency with tools for raw…
Despite the recent progress in deep neural networks (DNNs), it remains challenging to explain the predictions made by DNNs. Existing explanation methods for DNNs mainly focus on post-hoc explanations where another explanatory model is…
Graph Neural Networks (GNNs) have shown remarkable effectiveness in capturing abundant information in graph-structured data. However, the black-box nature of GNNs hinders users from understanding and trusting the models, thus leading to…
While Graph Neural Networks (GNNs) have demonstrated significant efficacy in node classification tasks, where predictions rely on local neighborhood information, the performance of GNNs often drops when prediction tasks depend on long-range…
Graph-based retrieval-augmented generation (RAG) enables large language models (LLMs) to incorporate structured knowledge via graph retrieval as contextual input, enhancing more accurate and context-aware reasoning. We observe that for…
Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…
Knowledge graphs have emerged to be promising datastore candidates for context augmentation during Retrieval Augmented Generation (RAG). As a result, techniques in graph representation learning have been simultaneously explored alongside…