Related papers: ML4CO: Is GCNN All You Need? Graph Convolutional N…

The cornerstone of neural algorithmic reasoning is the ability to solve algorithmic tasks, especially in a way that generalises out of distribution. While recent years have seen a surge in methodological improvements in this area, they…

Learning to optimize (L2O) has recently emerged as a promising approach to solving optimization problems by exploiting the strong prediction power of neural networks and offering lower runtime complexity than conventional solvers. While L2O…

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Graphs have been widely used to represent complex data in many applications. Efficient and effective analysis of graphs is important for graph-based applications. However, most graph analysis tasks are combinatorial optimization (CO)…

Graph neural networks (GNNs) are powerful models that have been successful in various graph representation learning tasks. Whereas gradient boosted decision trees (GBDT) often outperform other machine learning methods when faced with…

Quadratic Unconstrained Binary Optimization (QUBO) is a generic technique to model various NP-hard combinatorial optimization problems in the form of binary variables. The Hamiltonian function is often used to formulate QUBO problems where…

Graph convolutional networks (GCNs) are a powerful deep learning approach for graph-structured data. Recently, GCNs and subsequent variants have shown superior performance in various application areas on real-world datasets. Despite their…

The Unrelated Parallel Machine Scheduling Problem (UPMSP) with release dates, setups, and eligibility constraints presents a significant multi-objective challenge. Traditional methods struggle to balance minimizing Total Weighted Tardiness…

Finding a high-quality feasible solution to a combinatorial optimization (CO) problem in a limited time is challenging due to its discrete nature. Recently, there has been an increasing number of machine learning (ML) methods for addressing…

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating…

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

Combinatorial Optimisation problems arise in several application domains and are often formulated in terms of graphs. Many of these problems are NP-hard, but exact solutions are not always needed. Several heuristics have been developed to…

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

Recently, graph convolutional networks (GCNs) have shown great potential for the task of graph matching. It can integrate graph node feature embedding, node-wise affinity learning and matching optimization together in a unified end-to-end…

Devising and analyzing learning models for spatiotemporal network data is of importance for tasks including forecasting, anomaly detection, and multi-agent coordination, among others. Graph Convolutional Neural Networks (GCNNs) are an…

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented…

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…