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Papers matching “graph separation” 58

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Multi-fidelity graph neural networks for predicting toluene/water partition coefficients
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Thomas Nevolianis, Jan G. Rittig, Alexander Mitsos, Kai O. Leonhard

5

citations
Multi-fidelity graph neural networks for predicting toluene/water partition coefficients
2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

Thomas Nevolianis, Jan G. Rittig, Alexander Mitsos, Kai O. Leonhard

3

citations
Fine-grained Expressivity of Graph Neural Networks
2023 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Jan Böker, Ron Levie, Ningyuan Teresa Huang, Soledad Villar

4

citations
Graph Learning Should Move Beyond Restrictive Views of Spectral and Message-Passing GNNs
2026 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Antonis Vasileiou, Juan Cerviño, Pascal Frossard, Charilaos I. Kanatsoulis, Christopher Morris, Michael P. Schaub, +4 more

0

citations
On the Relationship between Heterophily and Robustness of Graph Neural Networks.
2021 arXiv (Cornell University) preprint Computer Science Adversarial Robustness in Machine Learning Open access

Jiong Zhu, Junchen Jin, Michael T. Schaub, Danai Koutra

2

citations
Temporal Heterogeneous Graph Pretraining for Relational Deep Learning
2026 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Yixin Peng, 金儿, Diego Collarana, Stefan Decker

0

citations
Grid-Aware Spatio-Temporal Graph Neural Networks for Multi-Horizon Load Forecasting
2025 ACM SIGEnergy Energy Informatics Review article Engineering Energy Load and Power Forecasting Open access

Ugochukwu Orji

3

citations
How does Heterophily Impact the Robustness of Graph Neural Networks?
2022 ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD) conference-paper Computer Science Adversarial Robustness in Machine Learning Open access

Jiong Zhu, Junchen Jin, Michael T. Schaub, Danai Koutra

31

citations
DNET: A Graph-Based Tool and Workflow for Dynamic Hydrogen-Bond Networks and Applications for Visual Rhodopsins
2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling

Éva Bertalan, Matthew J. Rodrigues, Gebhard F.X. Schertler, Bondar Ana-Nicoleta

3

citations
Loop-erased partitioning of a graph: mean-field analysis
2022 Electronic Journal of Probability article Mathematics Stochastic processes and statistical mechanics Open access

Luca Avena, Alexandre Gaudillière, Matteo Quattropani

2

citations
Every Component Is a Lookup: One Linear Graph for Interaction, Composition and Attribution
2026 arXiv (Cornell University) preprint Computer Science Explainable Artificial Intelligence (XAI) Open access

Po-Kai Chen, Aske Plaat, Bas van Stein

0

citations
Simulating Logspace-Recursion with Logarithmic Quantifier Depth
2023 Proceedings - Symposium on Logic in Computer Science conference-paper Computer Science Advanced Graph Theory Research

Steffen van Bergerem, Martin Grohe, Sandra Kiefer, Luca Oeljeklaus

1

citations
Simulating Logspace-Recursion with Logarithmic Quantifier Depth
2023 RWTH Publications (RWTH Aachen) conference-paper Computer Science Advanced Graph Theory Research Open access

Steffen van Bergerem, Martin Grohe, Sandra Kiefer, Luca Oeljeklaus

0

citations
Untangling Gaussian Mixtures
2025 Lecture notes in computer science conference-paper Computer Science Advanced Clustering Algorithms Research

Eva Fluck, Sandra Kiefer, Christoph Standke

0

citations
The Power of the Weisfeiler--Leman Algorithm to Decompose Graphs
2022 SIAM Journal on Discrete Mathematics article Computer Science Advanced Graph Theory Research Open access

Sandra Kiefer, Daniel Neuen

11

citations
Limitations of the invertible-map equivalences
2022 Journal of Logic and Computation article Computer Science Advanced Graph Theory Research Open access

Anuj Dawar, Erich Grädel, Moritz Lichter

4

citations
Going Deep and Going Wide: Counting Logic and Homomorphism Indistinguishability over Graphs of Bounded Treedepth and Treewidth
2023 arXiv (Cornell University) preprint Computer Science Advanced Graph Theory Research Open access

Eva Fluck, Tim Seppelt, Gian Luca Spitzer

0

citations
Finite Model Theory and Proof Complexity Revisited: Distinguishing Graphs in Choiceless Polynomial Time and the Extended Polynomial Calculus
2022 arXiv (Cornell University) preprint Computer Science Complexity and Algorithms in Graphs Open access

Benedikt Pago

0

citations
Globale Prozessoptimierung durch maschinelles Lernen
2021 RWTH Publications (RWTH Aachen) book Mathematics Advanced Optimization Algorithms Research Open access

Artur M. Schweidtmann

0

citations
GraphRAG Best Practices: A Modular Evaluation Framework and Regulatory Case Study
2026 Studies on the semantic web book-chapter Computer Science Topic Modeling Open access

Yan-Ying Liao, Diego Collarana, Christopher Ingo Pack, Alexander Graß, Andreas Both, Stefan Decker, +1 more

0

citations
Online Node- and Edge-Deletion Problems with Advice
2021 Algorithmica article Computer Science Optimization and Search Problems Open access

Li-Hsuan Chen, Ling-Ju Hung, Henri Lotze, Peter Rossmanith

7

citations
QuantumSavory/QuantumClifford.jl: v0.11.0
2026 Zenodo (CERN European Organization for Nuclear Research) software Computer Science Quantum Computing Algorithms and Architecture Open access

Stefan Krastanov, Feroz Ahmed Mian, Zhongyi Ni, Kanyang Ying, Praveen Viswanathan, Shayan Pardis, +21 more

0

citations
DeepEOSNet: Capturing the dependency on thermodynamic state in property prediction tasks
2026 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access

Jan Pavšek, Alexander Mitsos, Manuel Dahmen, Jan G. Rittig

0

citations
DualConvMesh-Net: Joint Geodesic and Euclidean Convolutions on 3D Meshes
2020 IEEE Computer Society Conference on Computer Vision and Pattern Recognition/Proceedings - IEEE Computer Society Conference on Computer Vision and Pattern Recognition/Proceedings conference-paper Engineering 3D Shape Modeling and Analysis Open access

Jonas Schult, Francis Engelmann, Theodora Kontogianni, Bastian Leibe

83

citations
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models
2025 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods

Thomas Nevolianis, Jonathan Wenyuan Zheng, Simon Müller, Matthias Baumann, Sofja Tshepelevitsh, Ivari Kaljurand, +4 more

10

citations