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Small language models fine-tuned for graph property estimation have demonstrated strong in-distribution performance, yet their generalization capabilities beyond training conditions remain poorly understood. In this work, we systematically…

Machine Learning · Computer Science 2026-04-21 Michal Podstawski

While AI systems have made remarkable progress in processing unstructured text, structured data such as graphs stored in databases, continues to grow rapidly yet remains difficult for neural models to effectively utilize. We introduce…

Databases · Computer Science 2026-03-09 Yufei Li , Yisen Gao , Jiaxin Bai , Jiaxuan Xiong , Haoyu Huang , Zhongwei Xie , Hong Ting Tsang , Yangqiu Song

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

Machine Learning · Computer Science 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which…

Machine Learning · Computer Science 2023-06-01 Nathaniel Diamant , Alex M. Tseng , Kangway V. Chuang , Tommaso Biancalani , Gabriele Scalia

The problem of labeled graph generation is gaining attention in the Deep Learning community. The task is challenging due to the sparse and discrete nature of graph spaces. Several approaches have been proposed in the literature, most of…

Machine Learning · Computer Science 2021-07-20 Marco Podda , Davide Bacciu

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

A vast number of software systems include components that parse and process structured input. In addition to programming languages, which are analyzed by compilers or interpreters, there are numerous components that process standardized or…

Programming Languages · Computer Science 2025-08-07 Andreas Pointner , Josef Pichler , Herbert Prähofer

Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

Machine Learning · Computer Science 2025-03-18 Yancheng Wang , Changyu Liu , Yingzhen Yang

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due…

Machine Learning · Computer Science 2022-10-06 Jiuhai Chen , Jonas Mueller , Vassilis N. Ioannidis , Soji Adeshina , Yangkun Wang , Tom Goldstein , David Wipf

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

As a structured prediction task, scene graph generation aims to build a visually-grounded scene graph to explicitly model objects and their relationships in an input image. Currently, the mean field variational Bayesian framework is the de…

Computer Vision and Pattern Recognition · Computer Science 2022-01-28 Daqi Liu , Miroslaw Bober , Josef Kittler

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: they do not scale to process large graphs and/or support only a restricted set of search templates or…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-22 Tahsin Reza , Hassan Halawa , Matei Ripeanu , Geoffrey Sanders , Roger Pearce

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

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…

Artificial Intelligence · Computer Science 2025-09-17 Hanqing Li , Kiran Sheena Jyothi , Henry Liang , Sharika Mahadevan , Diego Klabjan

We present a general theoretical analysis of structured prediction with a series of new results. We give new data-dependent margin guarantees for structured prediction for a very wide family of loss functions and a general family of…

Machine Learning · Statistics 2016-12-02 Corinna Cortes , Mehryar Mohri , Vitaly Kuznetsov , Scott Yang

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

Generative AI, particularly Large Language Models, increasingly integrates graph-based representations to enhance reasoning, retrieval, and structured decision-making. Despite rapid advances, there remains limited clarity regarding when,…

Artificial Intelligence · Computer Science 2026-04-21 Hamed Jelodar , Samita Bai , Mohammad Meymani , Parisa Hamedi , Roozbeh Razavi-Far , Ali Ghorbani

Machine learning on graphs has made substantial progress across domains such as molecular property prediction and chip design. Yet benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent…

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