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In recent years, algorithms and neural architectures based on the Weisfeiler-Leman algorithm, a well-known heuristic for the graph isomorphism problem, emerged as a powerful tool for (supervised) machine learning with graphs and relational…

Machine Learning · Computer Science 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

Novelty heuristics aid heuristic search by exploring states that exhibit novel atoms. However, novelty heuristics are not symmetry invariant and hence may sometimes lead to redundant exploration. In this preliminary report, we propose to…

Artificial Intelligence · Computer Science 2025-08-27 Dillon Z. Chen

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data.…

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

Graph neural networks are designed to learn functions on graphs. Typically, the relevant target functions are invariant with respect to actions by permutations. Therefore the design of some graph neural network architectures has been…

Machine Learning · Statistics 2022-11-03 Ningyuan Huang , Soledad Villar

Supervised learning usually requires a large amount of labelled data. However, attaining ground-truth labels is costly for many tasks. Alternatively, weakly supervised methods learn with cheap weak signals that only approximately label some…

Machine Learning · Computer Science 2024-11-26 You Lu , Wenzhuo Song , Chidubem Arachie , Bert Huang

Large Language Models (LLMs), with their remarkable ability to tackle challenging and unseen reasoning problems, hold immense potential for tabular learning, that is vital for many real-world applications. In this paper, we propose a novel…

Machine Learning · Computer Science 2024-05-07 Sungwon Han , Jinsung Yoon , Sercan O Arik , Tomas Pfister

Current approaches for learning for planning have yet to achieve competitive performance against classical planners in several domains, and have poor overall performance. In this work, we construct novel graph representations of lifted…

Artificial Intelligence · Computer Science 2024-10-29 Dillon Z. Chen , Felipe Trevizan , Sylvie Thiébaux

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

Machine Learning · Computer Science 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

Aligning users across networks using graph representation learning has been found effective where the alignment is accomplished in a low-dimensional embedding space. Yet, achieving highly precise alignment is still challenging, especially…

Social and Information Networks · Computer Science 2023-01-02 Li Liu , Penggang Chen , Xin Li , William K. Cheung , Youmin Zhang , Qun Liu , Guoyin Wang

The classical Weisfeiler-Leman algorithm aka color refinement is fundamental for graph learning with kernels and neural networks. Originally developed for graph isomorphism testing, the algorithm iteratively refines vertex colors. On many…

Machine Learning · Computer Science 2022-12-09 Franka Bause , Nils M. Kriege

The isomorphism problem is a fundamental problem in network analysis, which involves capturing both low-order and high-order structural information. In terms of extracting low-order structural information, graph isomorphism algorithms…

Data Structures and Algorithms · Computer Science 2023-07-28 Yifan Feng , Jiashu Han , Shihui Ying , Yue Gao

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by…

Machine Learning · Computer Science 2025-05-30 Athanasios Glentis , Jiaxiang Li , Qiulin Shang , Andi Han , Ioannis Tsaknakis , Quan Wei , Mingyi Hong

To fully leverage the advantages of large-scale pre-trained language models (PLMs) on downstream tasks, it has become a ubiquitous adaptation paradigm to fine-tune the entire parameters of PLMs. However, this paradigm poses issues of…

Computation and Language · Computer Science 2023-05-09 Anchun Gui , Han Xiao

Can deep language models be explanatory models of human cognition? If so, what are their limits? In order to explore this question, we propose an approach called hyperparameter hypothesization that uses predictive hyperparameter tuning in…

Computation and Language · Computer Science 2022-08-23 Animesh Nighojkar , Anna Khlyzova , John Licato

The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

We present a novel approach for graph classification based on tabularizing graph data via new variants of the Weisfeiler-Leman algorithm and then applying methods for tabular data. The variants are obtained by modifying the underlying…

Machine Learning · Computer Science 2026-05-25 Reijo Jaakkola , Tomi Janhunen , Antti Kuusisto , Magdalena Ortiz , Matias Selin , Mantas Šimkus

Weakly-supervised vision-language (V-L) pre-training (W-VLP) aims at learning cross-modal alignment with little or no paired data, such as aligned images and captions. Recent W-VLP methods, which pair visual features with object tags, help…

Computer Vision and Pattern Recognition · Computer Science 2022-10-28 Tzu-Jui Julius Wang , Jorma Laaksonen , Tomas Langer , Heikki Arponen , Tom E. Bishop

Large Language Models (LLMs) are composed of neurons that exhibit various behaviors and roles, which become increasingly diversified as models scale. Recent studies have revealed that not all neurons are active across different datasets,…

Computation and Language · Computer Science 2024-03-19 Haoyun Xu , Runzhe Zhan , Derek F. Wong , Lidia S. Chao

Large language models (LLMs) with one or more fine-tuning phases have become a necessary step to unlock various capabilities, enabling LLMs to follow natural language instructions or align with human preferences. However, it carries the…

Computation and Language · Computer Science 2024-04-30 Tingfeng Hui , Zhenyu Zhang , Shuohuan Wang , Weiran Xu , Yu Sun , Hua Wu
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