Related papers: Are Message Passing Neural Networks Really Helpful…

While Graph Neural Networks (GNNs) have achieved remarkable success, their design largely relies on empirical intuition rather than theoretical understanding. In this paper, we present a comprehensive analysis of GNN behavior through three…

Knowledge-intensive tasks pose a significant challenge for Machine Learning (ML) techniques. Commonly adopted methods, such as Large Language Models (LLMs), often exhibit limitations when applied to such tasks. Nevertheless, there have been…

Recent advances in research have demonstrated the effectiveness of knowledge graphs (KG) in providing valuable external knowledge to improve recommendation systems (RS). A knowledge graph is capable of encoding high-order relations that…

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their…

Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph-structured data, and are now considered state-of-the-art tools for solving a…

Graph convolutional networks (GCNs) -- which are effective in modeling graph structures -- have been increasingly popular in knowledge graph completion (KGC). GCN-based KGC models first use GCNs to generate expressive entity representations…

Knowledge graph completion (KGC) is a widely used method to tackle incompleteness in knowledge graphs (KGs) by making predictions for missing links. Description-based KGC leverages pre-trained language models to learn entity and relation…

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Embedding based Knowledge Graph (KG) Completion has gained much attention over the past few years. Most of the current algorithms consider a KG as a multidirectional labeled graph and lack the ability to capture the semantics underlying the…

Message Passing Neural Networks (MPNNs) have emerged as the {\em de facto} standard in graph representation learning. However, when it comes to link prediction, they often struggle, surpassed by simple heuristics such as Common Neighbor…

Knowledge Graphs (KGs) and their machine learning counterpart, Knowledge Graph Embedding Models (KGEMs), have seen ever-increasing use in a wide variety of academic and applied settings. In particular, KGEMs are typically applied to KGs to…

Graph data is omnipresent and has a wide variety of applications, such as in natural science, social networks, or the semantic web. However, while being rich in information, graphs are often noisy and incomplete. As a result, graph…

Complex Query Answering (CQA) over Knowledge Graphs (KGs) has attracted a lot of attention to potentially support many applications. Given that KGs are usually incomplete, neural models are proposed to answer the logical queries by…

Knowledge graph (KG) reasoning is a task that aims to predict unknown facts based on known factual samples. Reasoning methods can be divided into two categories: rule-based methods and KG-embedding based methods. The former possesses…

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Knowledge graphs (KGs) are crucial for representing and reasoning over structured information, supporting a wide range of applications such as information retrieval, question answering, and decision-making. However, their effectiveness is…

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…