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graph neural networks

2,177 papers

#graph neural networks Open access Oct 2026

HYBRID GRAPH NEURAL NETWORKS AND XGBOOST FOR FRAUD TRANSACTION DETECTION

Detecting financial fraud in cryptocurrency networks like bitcoin is a significant challenge.The problem is that traditional machine learning models often fail to capture the complex relational patterns within transaction graphs, leading to poor detection.The purpose of this research is to evaluate hybrid models that i...

Murad ALIYEV · 0 citations

Managing the Noise: Harnessing the Power of Graph Neural Networks to Detect Subsurface Damage under Noisy Experimental Settings

Aging infrastructure with limited budgets has driven stakeholders to explore new methods for monitoring structural health. Structural health monitoring represents a strategy to address this challenge using physical measurements to characterize performance. This approach has often leveraged various sensing modalities...

Ayatollah S. Yehia, Zhi-Dong Zhang, D. Harris · 0 citations
#reinforcement learning Book Oct 2026

Methodology Review: Intrusion Detection in Cybersecurity: A Study on Explainable Graphical Reinforcement Learning

This paper provides a structured methodological review of intrusion detection systems (IDS) in the field of cybersecurity, with particular attention to Explainable Graph-Structured Reinforcement Learning (XGRL). Instead of presenting experimental evaluations, the study concentrates on analyzing design principles and me...

BS Arun Kumar, Rathnakar Achary · 0 citations

Preference-guided graph reinforcement learning for multi-objective quality-aware hybrid flow shop scheduling with multilevel assembly

Product quality is crucial to the competitiveness of manufacturing enterprises. However, existing quality-aware scheduling studies mainly approximate product quality evolution using indirect factors such as processing time, making it difficult to characterize the integrated effects of equipment health conditions and op...

Xinkai Hu, Zhijie Yang, Kaipu Wang et al. · 0 citations
#reinforcement learning Open access Oct 2026

Essays in machine learning and networks

Chapter 1: Machine Learning on Networks This chapter consists of three published papers, all developing and examining machine learning tools for graph-structured data.Graphs encode important structural properties of complex systems. Machine learning on graphs has therefore emerged as an important technique in research...

Olivér Kiss · 0 citations
#data science Open access Oct 2026

Less can be more for predicting properties with large language models

Abstract Predicting properties from coordinate–category data—sets of vectors paired with categorical information—is fundamental to computational science, manifesting in materials science as predicting formation energies or elastic moduli from crystal structures. While large language models (LLMs) have increasingly been...

Nawaf Alampara, Santiago Miret, Kevin Maik Jablonka · 13 citations
#graph neural networks Open access Oct 2026

Personalized Graph Sampling for Diverse Short Video Recommendation

This work identifies two dimensions of diversity preferences—validated by psychological theory and readily inferable from interaction data and modeled using graph neighbor sampling: user preferences for diverse content across category levels, and preferences for fine-grained diversity within broad-level interests: user...

Nicholas Sukiennik, Chen Gao, Y. Zheng et al. · 0 citations
#graph neural networks Open access Oct 2026

PolyNet: A Python Package for Polymer Informatics

PolyNet is a Python package for polymer property prediction from (P)SMILES of homopolymers and copolymers. It trains graph neural networks and traditional machine-learning models on repeated train/validation/test splits, compares them statistically, explains their predictions (GNN fragment masking and SHAP), and predic...

Eduardo Aguilar-Bejarano, Morgan Alexander, David Alan Winkler et al. · 0 citations
#graph neural networks Open access Oct 2026

Closure Is Not Erasure: A Minimal-State Theory of History-Sensitive Recovery and the Evidential Boundary of Experand

Restored competence does not establish that a disturbance has been erased. A system may close an unresolved condition yet retain a causally effective distinction between histories that now share endpoint status and report. Motivated by Recovery Without Reset in the Experand adequacy framework, this paper applies classi...

Abraham Chachamovits · 0 citations
#graph neural networks Open access Oct 2026

Filling the Missing Puzzle: Integrating Interaction and Evolutionary Information to Enhance Protein Fitness Prediction in Inverse Folding

Protein inverse folding, which infers compatible amino acid sequences from a given backbone structure, is central to rational protein design. Current methods rely largely on sequence recovery rate as the evaluation metric, emphasizing structural compatibility but seldom addressing function. Yet functional activity depe...

Zhi-Hao Wang, Zhong-Yang Zhang, Yan-Mei Yang et al. · 0 citations
#graph neural networks Dataset Open access Oct 2026

NORMAN WS model v0.1: QMRF, model card and SusDat predictions

A regression model for the solubility of organic chemicals in pure water at 15 to 30 °C (log10 mol/L): the mean of gradient-boosted trees (XGBoost and LightGBM, five seeds each) and a message-passing graph neural network (Chemprop D-MPNN, five repeats, with the melting point as an auxiliary task). It was trained on 12...

Peter C. von der Ohe · 0 citations
#graph neural networks Open access Oct 2026

AI-Driven Design of Next-Generation Immunoinformatics Multi-Epitope Subunit Vaccine Targeting the Most Virulent Mpox Proteome: A Structural and Kinetic Validation Framework

The resurgence of the Mpox virus (MPXV) highlights the urgent need for scalable, mutation-resistant countermeasures. Slow development timelines hinder traditional empirical vaccine discovery, while conventional vaccinology often yields high false-positive rates because it relies on static, linear sequence-based screeni...

M. Emon, Noimul Hasan Siddiqque, Md. Enamul Haque · 0 citations

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Microsoft Research Blog Jul 13, 2026

Verifying Rust cryptography in SymCrypt, from standards to code

Cryptographic code supports vital protections in modern computing systems. Learn how a new method helps verify code as developers write it while preserving speed and adaptability as it gets implemented and evolves. The post Verifying Rust cryptography in SymCrypt, from standards to code appeared first on Microsoft Research.

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