Scaling Higher-Order Graph Learning with Maximal Clique Complexes
Pith reviewed 2026-06-28 23:31 UTC · model grok-4.3
The pith
Maximal clique complexes let cellular graph networks scale linearly while keeping expressivity.
A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.
Core claim
Maximal clique complexes, sampled via CliqueWalk, enable scalable cellular Weisfeiler-Leman networks that reduce time and memory complexity while preserving the expressivity of the CWL test and strong empirical performance.
What carries the argument
The maximal clique complex together with the CliqueWalk biased random walk, which replaces explicit clique enumeration to factor and simplify the cellular Weisfeiler-Leman test.
If this is right
- Higher-order models become usable on graphs with thousands of nodes instead of hundreds.
- Time and memory costs grow linearly rather than combinatorially with clique size.
- The same simplified and factored tests can be applied to other cell-complex architectures.
- CliqueWalk can be swapped into existing CWN pipelines without changing the downstream learning objective.
Where Pith is reading between the lines
- The same sampling idea could extend to other higher-order structures such as simplicial complexes when maximal cliques are replaced by maximal simplices.
- Domains with natural clique structure, such as collaboration or molecular graphs, may see the largest gains.
- One could test whether the linear scaling holds when the walk bias parameters are tuned per dataset rather than fixed.
Load-bearing premise
Sampling maximal cliques with the biased random walk preserves the expressivity of the original CWL test and the empirical performance of cellular Weisfeiler-Leman networks.
What would settle it
A direct comparison on a family of graphs where important higher-order relations lie outside the maximal cliques, showing whether the sampled version loses accuracy or distinguishing power relative to full enumeration.
Figures
read the original abstract
Graph neural networks (GNNs) are limited to modeling pairwise interactions, while higher-order models based on cell complexes achieve greater expressivity but often suffer from poor scalability. We introduce simplified and factored cellular Weisfeiler Leman tests (sCWL and fCWL), which preserve the expressivity of the CWL test while improving computational efficiency. We further introduce the maximal clique complex, enabling scalable CWNs with reduced time and memory complexity while retaining strong empirical performance. To avoid explicit clique enumeration, we propose CliqueWalk, a biased random walk that samples maximal cliques and scales linearly with graph size. These contributions yield a scalable topological learning framework for higher-order graph representation.
Editorial analysis
A structured set of objections, weighed in public.
Referee Report
Summary. The manuscript introduces simplified (sCWL) and factored (fCWL) cellular Weisfeiler-Leman tests claimed to preserve the expressivity of the original CWL test while improving efficiency. It further proposes the maximal clique complex together with CliqueWalk, a biased random walk for sampling maximal cliques without explicit enumeration, asserting that this construction yields scalable cellular Weisfeiler networks (CWNs) with linear time and memory complexity that retain strong empirical performance.
Significance. If the preservation claims are rigorously established, the work would address a central scalability barrier in higher-order topological graph learning, enabling cell-complex methods on graphs too large for full clique enumeration while maintaining the distinguishing power of CWL-based models.
major comments (2)
- [Abstract] Abstract: the claim that sCWL and fCWL preserve the expressivity of the CWL test is stated without any derivation, invariance argument, or reduction showing that the simplifications do not reduce distinguishing power on non-isomorphic graphs.
- [Abstract] Abstract: the assertion that CliqueWalk sampling produces a maximal clique complex whose induced sCWL/fCWL tests retain the original expressivity lacks any concentration bound, bias analysis, or topological invariance proof; a biased walk can systematically under-sample low-probability but topologically critical maximal cliques.
minor comments (1)
- The abstract refers to 'strong empirical performance' and 'reduced time and memory complexity' but supplies no datasets, baselines, or quantitative results to support these statements.
Simulated Author's Rebuttal
We thank the referee for their careful reading and insightful comments. We address the two major comments point by point below.
read point-by-point responses
-
Referee: [Abstract] Abstract: the claim that sCWL and fCWL preserve the expressivity of the CWL test is stated without any derivation, invariance argument, or reduction showing that the simplifications do not reduce distinguishing power on non-isomorphic graphs.
Authors: The preservation of expressivity is established rigorously in the body of the paper (Theorems 3.1 and 3.2), which contain the required invariance arguments and reductions to the original CWL test. The abstract is necessarily concise and therefore omits the derivations; we will revise the abstract to include a short pointer to these theorems. revision: yes
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Referee: [Abstract] Abstract: the assertion that CliqueWalk sampling produces a maximal clique complex whose induced sCWL/fCWL tests retain the original expressivity lacks any concentration bound, bias analysis, or topological invariance proof; a biased walk can systematically under-sample low-probability but topologically critical maximal cliques.
Authors: Section 4.3 supplies a topological argument that the sampled complex retains the higher-order structures needed for the expressivity claims, together with extensive empirical verification. We do not supply concentration bounds or a complete bias analysis of CliqueWalk. We will add an explicit limitations paragraph discussing the possible effect of biased sampling on expressivity. revision: partial
Circularity Check
No circularity; new tests and sampling method introduced as independent constructions
full rationale
The abstract and description present sCWL/fCWL as simplified variants that preserve CWL expressivity by design, the maximal clique complex as a new structure for scalability, and CliqueWalk as a separate biased random walk sampler. No equations or steps reduce a claimed prediction or expressivity result to a fitted parameter, self-definition, or self-citation chain. The central claims rest on explicit construction and empirical retention rather than tautological equivalence to inputs. This is the expected non-finding for a methods paper whose innovations are stated as additive rather than derived from prior fitted results.
Axiom & Free-Parameter Ledger
axioms (1)
- domain assumption Graph neural networks are limited to modeling pairwise interactions while higher-order models based on cell complexes achieve greater expressivity.
invented entities (4)
-
simplified cellular Weisfeiler-Leman test (sCWL)
no independent evidence
-
factored cellular Weisfeiler-Leman test (fCWL)
no independent evidence
-
maximal clique complex
no independent evidence
-
CliqueWalk
no independent evidence
Reference graph
Works this paper leans on
-
[1]
Generalized simplicial attention neural networks.IEEE Transactions on Signal and Information Processing over Networks, 2024
Claudio Battiloro, Lucia Testa, Lorenzo Giusti, Stefania Sardellitti, Paolo Di Lorenzo, and Sergio Barbarossa. Generalized simplicial attention neural networks.IEEE Transactions on Signal and Information Processing over Networks, 2024
2024
-
[2]
Bhatia, K
K. Bhatia, K. Dahiya, H. Jain, P. Kar, A. Mittal, Y . Prabhu, and M. Varma. The extreme classification repository: Multi-label datasets and code, 2016
2016
-
[3]
Weisfeiler and Lehman go cellular: CW networks
Cristian Bodnar, Fabrizio Frasca, Nina Otter, Yuguang Wang, Pietro Lio, Guido F Montufar, and Michael Bronstein. Weisfeiler and Lehman go cellular: CW networks. InAdvances in Neural Information Processing Systems, 2021
2021
-
[4]
Weisfeiler and Lehman go topological: Message passing simplicial networks
Cristian Bodnar, Fabrizio Frasca, Yuguang Wang, Nina Otter, Guido F Montufar, Pietro Lio, and Michael Bronstein. Weisfeiler and Lehman go topological: Message passing simplicial networks. InInternational Conference on Machine Learning, 2021
2021
-
[5]
Protein function prediction via graph kernels.Bioinformatics, 21: i47–i56, 2005
Karsten M Borgwardt, Cheng Soon Ong, Stefan Schönauer, SVN Vishwanathan, Alex J Smola, and Hans-Peter Kriegel. Protein function prediction via graph kernels.Bioinformatics, 21: i47–i56, 2005
2005
-
[6]
Improving graph neural network expressivity via subgraph isomorphism counting.IEEE Transactions on Pattern Analysis and Machine Intelligence, 45(1):657–668, 2022
Giorgos Bouritsas, Fabrizio Frasca, Stefanos Zafeiriou, and Michael M Bronstein. Improving graph neural network expressivity via subgraph isomorphism counting.IEEE Transactions on Pattern Analysis and Machine Intelligence, 45(1):657–668, 2022
2022
-
[7]
Algorithm 457: finding all cliques of an undirected graph
Coen Bron and Joep Kerbosch. Algorithm 457: finding all cliques of an undirected graph. Communications of the ACM, 16(9):575–577, 1973
1973
-
[8]
GraphNorm: A principled approach to accelerating graph neural network training
Tianle Cai, Shengjie Luo, Keyulu Xu, Di He, Tie-Yan Liu, and Liwei Wang. GraphNorm: A principled approach to accelerating graph neural network training. InInternational Conference on Machine Learning, 2020
2020
-
[9]
A note on the problem of reporting maximal cliques
Frédéric Cazals and Chinmay Karande. A note on the problem of reporting maximal cliques. Theoretical Computer Science, 407(1-3):564–568, 2008
2008
-
[10]
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models
Guangyong Chen, Pengfei Chen, Chang-Yu Hsieh, Chee-Kong Lee, Benben Liao, Renjie Liao, Weiwen Liu, Jiezhong Qiu, Qiming Sun, Jie Tang, et al. Alchemy: A quantum chemistry dataset for benchmarking AI models.arXiv preprint arXiv:1906.09427, 2019
work page internal anchor Pith review Pith/arXiv arXiv 1906
-
[11]
Generative hypergraph clustering: From blockmodels to modularity.Science Advances, 7(28):eabh1303, 2021
Philip S Chodrow, Nate Veldt, and Austin R Benson. Generative hypergraph clustering: From blockmodels to modularity.Science Advances, 7(28):eabh1303, 2021
2021
-
[12]
MIT press, 2022
Thomas H Cormen, Charles E Leiserson, Ronald L Rivest, and Clifford Stein.Introduction to algorithms. MIT press, 2022
2022
-
[13]
Lopez de Compadre, Gargi Debnath, Alan J
Asim Kumar Debnath, Rosa L. Lopez de Compadre, Gargi Debnath, Alan J. Shusterman, and Corwin Hansch. Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. correlation with molecular orbital energies and hydrophobicity.Journal of Medicinal Chemistry, 34(2):786–797, 1991. 10
1991
-
[14]
Convolutional neural networks on graphs with fast localized spectral filtering.Advances in Neural Information Processing Systems, 2016
Michaël Defferrard, Xavier Bresson, and Pierre Vandergheynst. Convolutional neural networks on graphs with fast localized spectral filtering.Advances in Neural Information Processing Systems, 2016
2016
-
[15]
Distinguishing enzyme structures from non-enzymes without alignments.Journal of Molecular Biology, 330(4):771–783, 2003
Paul D Dobson and Andrew J Doig. Distinguishing enzyme structures from non-enzymes without alignments.Journal of Molecular Biology, 330(4):771–783, 2003
2003
-
[16]
Convolutional networks on graphs for learning molecular fingerprints
David K Duvenaud, Dougal Maclaurin, Jorge Iparraguirre, Rafael Bombarell, Timothy Hirzel, Alán Aspuru-Guzik, and Ryan P Adams. Convolutional networks on graphs for learning molecular fingerprints. InAdvances in Neural Information Processing Systems, 2015
2015
-
[17]
Maximal cliques summarization: Principles, problem classification, and algorithmic approaches.Computer Science Review, 58: 100784, 2025
Marco D’Elia, Irene Finocchi, and Maurizio Patrignani. Maximal cliques summarization: Principles, problem classification, and algorithmic approaches.Computer Science Review, 58: 100784, 2025
2025
-
[18]
Simplicial neural networks
Stefania Ebli, Michaël Defferrard, and Gard Spreemann. Simplicial neural networks. InNeurIPS Workshop Topological Data Analysis and Beyond, 2020
2020
-
[19]
Continuous simplicial neural networks
Aref Einizade, Dorina Thanou, Fragkiskos D Malliaros, and Jhony H Giraldo. Continuous simplicial neural networks. InAdvances in Neural Information Processing Systems, 2025
2025
-
[20]
Graph neural networks for social recommendation
Wenqi Fan, Yao Ma, Qing Li, Yuan He, Eric Zhao, Jiliang Tang, and Dawei Yin. Graph neural networks for social recommendation. InThe World Wide Web Conference, 2019
2019
-
[21]
How powerful are k-hop message passing graph neural networks
Jiarui Feng, Yixin Chen, Fuhai Li, Anindya Sarkar, and Muhan Zhang. How powerful are k-hop message passing graph neural networks. InAdvances in Neural Information Processing Systems, 2022
2022
-
[22]
Hypergraph neural networks
Yifan Feng, Haoxuan You, Zizhao Zhang, Rongrong Ji, and Yue Gao. Hypergraph neural networks. InAAAI Conference on Artificial Intelligence, 2019
2019
-
[23]
CIN++: Enhancing topological message passing.arXiv preprint arXiv:2306.03561, 2023
Lorenzo Giusti, Teodora Reu, Francesco Ceccarelli, Cristian Bodnar, and Pietro Liò. CIN++: Enhancing topological message passing.arXiv preprint arXiv:2306.03561, 2023
-
[24]
The pseudo-geometric graphs for generalized quadran- gles of order (3, t).European Journal of Combinatorics, 22(6):839–845, 2001
Willem H Haemers and Edward Spence. The pseudo-geometric graphs for generalized quadran- gles of order (3, t).European Journal of Combinatorics, 22(6):839–845, 2001
2001
-
[25]
Cell complex neural networks
Mustafa Hajij, Kyle Istvan, and Ghada Zamzmi. Cell complex neural networks. InNeurIPS Workshop Topological Data Analysis and Beyond, 2020
2020
-
[26]
TopoX: a suite of Python packages for machine learning on topological domains.Journal of Machine Learning Research, 25(374):1–8, 2024
Mustafa Hajij, Mathilde Papillon, Florian Frantzen, Jens Agerberg, Ibrahem AlJabea, Rubén Ballester, Claudio Battiloro, Guillermo Bernárdez, Tolga Birdal, Aiden Brent, et al. TopoX: a suite of Python packages for machine learning on topological domains.Journal of Machine Learning Research, 25(374):1–8, 2024
2024
-
[27]
Inductive representation learning on large graphs
Will Hamilton, Zhitao Ying, and Jure Leskovec. Inductive representation learning on large graphs. InAdvances in Neural Information Processing Systems, 2017
2017
-
[28]
Toward a spectral theory of cellular sheaves.Journal of Applied and Computational Topology, 3(4):315–358, 2019
Jakob Hansen and Robert Ghrist. Toward a spectral theory of cellular sheaves.Journal of Applied and Computational Topology, 3(4):315–358, 2019
2019
-
[29]
Cambridge University Press, Cambridge, 2002
Allen Hatcher.Algebraic topology. Cambridge University Press, Cambridge, 2002
2002
-
[30]
Holland, Kathryn Blackmond Laskey, and Samuel Leinhardt
Paul W. Holland, Kathryn Blackmond Laskey, and Samuel Leinhardt. Stochastic blockmodels: First steps.Social Networks, 5(2):109–137, 1983
1983
-
[31]
A short tutorial on the weisfeiler-lehman test and its variants
Ningyuan Teresa Huang and Soledad Villar. A short tutorial on the weisfeiler-lehman test and its variants. InIEEE International Conference on Acoustics, Speech and Signal Processing, 2021
2021
-
[32]
Topology of random clique complexes.Discrete Mathematics, 309(6):1658– 1671, 2009
Matthew Kahle. Topology of random clique complexes.Discrete Mathematics, 309(6):1658– 1671, 2009
2009
-
[33]
Kipf and Max Welling
Thomas N. Kipf and Max Welling. Semi-supervised classification with graph convolutional networks. InInternational Conference on Learning Representations, 2017. 11
2017
-
[34]
Graph neural networks in computer vision-architectures, datasets and common approaches
Maciej Krzywda, Szymon Łukasik, and Amir H Gandomi. Graph neural networks in computer vision-architectures, datasets and common approaches. InInternational Joint Conference on Neural Networks, 2022
2022
-
[35]
A reduction of a graph to a canonical form and an algebra arising during this reduction.Nauchno-Technicheskaya Informatsiya, 2(9):12–16, 1968
Andrei Leman and Boris Weisfeiler. A reduction of a graph to a canonical form and an algebra arising during this reduction.Nauchno-Technicheskaya Informatsiya, 2(9):12–16, 1968
1968
-
[36]
Provably powerful graph networks
Haggai Maron, Heli Ben-Hamu, Hadar Serviansky, and Yaron Lipman. Provably powerful graph networks. InAdvances in Neural Information Processing Systems, 2019
2019
-
[37]
Contact patterns in a high school: A comparison between data collected using wearable sensors, contact diaries and friendship surveys.PloS One, 10(9):e0136497, 2015
Rossana Mastrandrea, Julie Fournet, and Alain Barrat. Contact patterns in a high school: A comparison between data collected using wearable sensors, contact diaries and friendship surveys.PloS One, 10(9):e0136497, 2015
2015
-
[38]
Image-based recommendations on styles and substitutes
Julian McAuley, Christopher Targett, Qinfeng Shi, and Anton Van Den Hengel. Image-based recommendations on styles and substitutes. InInternational ACM SIGIR Conference on Research and Development in Information Retrieval, 2015
2015
-
[39]
On cliques in graphs.Israel Journal of Mathematics, 3(1):23–28, 1965
John W Moon and Leo Moser. On cliques in graphs.Israel Journal of Mathematics, 3(1):23–28, 1965
1965
-
[40]
Weisfeiler and Leman go neural: Higher-order graph neural networks
Christopher Morris, Martin Ritzert, Matthias Fey, William L Hamilton, Jan Eric Lenssen, Gaurav Rattan, and Martin Grohe. Weisfeiler and Leman go neural: Higher-order graph neural networks. InAAAI Conference on Artificial Intelligence, 2019
2019
-
[41]
TUDataset: A collection of benchmark datasets for learning with graphs
Christopher Morris, Nils M Kriege, Franka Bause, Kristian Kersting, Petra Mutzel, and Marion Neumann. TUDataset: A collection of benchmark datasets for learning with graphs. InICML Workshop Graph Representation Learning and Beyond, 2020
2020
-
[42]
Query-driven active surveying for collective classification
Galileo Namata, Ben London, Lise Getoor, Bert Huang, and U Edu. Query-driven active surveying for collective classification. InInternational Workshop on Mining and Learning with Graphs, 2012
2012
-
[43]
Graph invariant kernels
Francesco Orsini, Paolo Frasconi, and Luc De Raedt. Graph invariant kernels. InInternational Joint Conference on Artificial Intelligence, 2015
2015
-
[44]
Position: Topological deep learning is the new frontier for relational learning
Theodore Papamarkou, Tolga Birdal, Michael Bronstein, Gunnar Carlsson, Justin Curry, Yue Gao, Mustafa Hajij, Roland Kwitt, Pietro Lio, Paolo Di Lorenzo, et al. Position: Topological deep learning is the new frontier for relational learning. InInternational Conference on Machine Learning, 2024
2024
-
[45]
arXiv preprint arXiv:2304.10031 , year=
Mathilde Papillon, Sophia Sanborn, Mustafa Hajij, and Nina Miolane. Architectures of topolog- ical deep learning: A survey of message-passing topological neural networks.arXiv preprint arXiv:2304.10031, 2023
-
[46]
G2N2 : Weisfeiler and Lehman go grammatical
Jason Piquenot, Aldo Moscatelli, Maxime Berar, Pierre Héroux, Romain Raveaux, Jean-Yves RAMEL, and Sébastien Adam. G2N2 : Weisfeiler and Lehman go grammatical. InInternational Conference on Learning Representations, 2024
2024
-
[47]
Collective classification in network data.AI Magazine, 29(3):93–93, 2008
Prithviraj Sen, Galileo Namata, Mustafa Bilgic, Lise Getoor, Brian Galligher, and Tina Eliassi- Rad. Collective classification in network data.AI Magazine, 29(3):93–93, 2008
2008
-
[48]
Pitfalls of graph neural network evaluation
Oleksandr Shchur, Maximilian Mumme, Aleksandar Bojchevski, and Stephan Günnemann. Pitfalls of graph neural network evaluation. InNeurIPS Workshop Relational Representation Learning, 2018
2018
-
[49]
Weisfeiler-Lehman graph kernels.Journal of Machine Learning Research, 1:1–48, 01 2010
Nino Shervashidze, Pascal Schweitzer, Erik Jan, Van Leeuwen, Kurt Mehlhorn, and Karsten Borgwardt. Weisfeiler-Lehman graph kernels.Journal of Machine Learning Research, 1:1–48, 01 2010
2010
-
[50]
The worst-case time complexity for generating all maximal cliques and computational experiments.Theoretical Computer Science, 363(1):28–42, 2006
Etsuji Tomita, Akira Tanaka, and Haruhisa Takahashi. The worst-case time complexity for generating all maximal cliques and computational experiments.Theoretical Computer Science, 363(1):28–42, 2006. 12
2006
-
[51]
Comparison of descriptor spaces for chemical compound retrieval and classification.Knowledge and Information Systems, 14(3):347–375, 2008
Nikil Wale, Ian A Watson, and George Karypis. Comparison of descriptor spaces for chemical compound retrieval and classification.Knowledge and Information Systems, 14(3):347–375, 2008
2008
-
[52]
Redundancy-aware maximal cliques
Jia Wang, James Cheng, and Ada Wai-Chee Fu. Redundancy-aware maximal cliques. InACM SIGKDD International Conference on Knowledge Discovery and Data Mining, 2013
2013
-
[53]
Towards better evaluation of gnn expressiveness with brec dataset, 04 2023
Yanbo Wang and Muhan Zhang. Towards better evaluation of gnn expressiveness with brec dataset, 04 2023
2023
-
[54]
Simplifying graph convolutional networks
Felix Wu, Amauri Souza, Tianyi Zhang, Christopher Fifty, Tao Yu, and Kilian Weinberger. Simplifying graph convolutional networks. InInternational Conference on Machine Learning, 2019
2019
-
[55]
Hypergraph collaborative network on vertices and hyperedges.IEEE Transactions on Pattern Analysis and Machine Intelligence, 45 (3):3245–3258, 2022
Hanrui Wu, Yuguang Yan, and Michael Kwok-Po Ng. Hypergraph collaborative network on vertices and hyperedges.IEEE Transactions on Pattern Analysis and Machine Intelligence, 45 (3):3245–3258, 2022
2022
-
[56]
How powerful are graph neural networks? InInternational Conference on Learning Representations, 2019
Keyulu Xu, Weihua Hu, Jure Leskovec, and Stefanie Jegelka. How powerful are graph neural networks? InInternational Conference on Learning Representations, 2019
2019
-
[57]
Deep graph kernels
Pinar Yanardag and SVN Vishwanathan. Deep graph kernels. InACM SIGKDD International Conference on Knowledge Discovery and Data Mining, 2015
2015
-
[58]
c Y τ ù ñd X σ “d Y τ . If bothcĎdanddĎc, then the two colorings are said to beequivalent, denotedc
Ruochen Yang, Frederic Sala, and Paul Bogdan. Efficient representation learning for higher- order data with simplicial complexes. InLearning on Graphs Conference, 2022. 13 Appendix Table of Contents A Weisfeiler-Leman Graph Isomorphism Test 15 B Proofs 15 B.1 Proof of Theorem 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 B.2 Proof o...
2022
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