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Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

This document aims to familiarize readers with temporal graph learning (TGL) through a concept-first approach. We have systematically presented vital concepts essential for understanding the workings of a TGL framework. In addition to…

Machine Learning · Computer Science 2024-01-10 Aniq Ur Rahman , Justin P. Coon

Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to…

With the increasing prevalence of cross-domain Text-Attributed Graph (TAG) Data (e.g., citation networks, recommendation systems, social networks, and ai4science), the integration of Graph Neural Networks (GNNs) and Large Language Models…

Machine Learning · Computer Science 2024-12-18 Xunkai Li , Zhengyu Wu , Jiayi Wu , Hanwen Cui , Jishuo Jia , Rong-Hua Li , Guoren Wang

This note describes a new approach to classifying graphs that leverages graph generative models (GGM). Assuming a GGM that defines a joint probability distribution over graphs and their class labels, I derive classification formulas for the…

Machine Learning · Computer Science 2023-07-25 Oliver Schulte

We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…

Machine Learning · Computer Science 2019-01-30 Wengong Jin , Kevin Yang , Regina Barzilay , Tommi Jaakkola

A curriculum is a planned sequence of learning materials and an effective one can make learning efficient and effective for both humans and machines. Recent studies developed effective data-driven curriculum learning approaches for training…

Machine Learning · Computer Science 2023-07-19 Nidhi Vakil , Hadi Amiri

In the Matrix approach to graph transformation we represent simple digraphs and rules with Boolean matrices and vectors, and the rewriting is expressed using Boolean operators only. In previous works, we developed analysis techniques…

Discrete Mathematics · Computer Science 2009-11-16 Pedro Pablo Perez Velasco , Juan de Lara Jaramillo

In many ways, graphs are the main modality of data we receive from nature. This is due to the fact that most of the patterns we see, both in natural and artificial systems, are elegantly representable using the language of graph structures.…

Machine Learning · Computer Science 2023-09-06 Petar Veličković

Despite the superior performance of large language models to generate natural language texts, it is hard to generate texts with correct logic according to a given task, due to the difficulties for neural models to capture implied rules from…

Computation and Language · Computer Science 2024-07-08 Fan Zhang , Kebing Jin , Hankz Hankui Zhuo

Graphs are data structures used to represent irregular networks and are prevalent in numerous real-world applications. Previous methods directly model graph structures and achieve significant success. However, these methods encounter…

Machine Learning · Computer Science 2025-01-03 Shuo Yu , Yingbo Wang , Ruolin Li , Guchun Liu , Yanming Shen , Shaoxiong Ji , Bowen Li , Fengling Han , Xiuzhen Zhang , Feng Xia

One of the hot topics in machine learning is the field of GNN. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph…

Machine Learning · Computer Science 2024-03-22 László Kovács , Ali Jlidi

In the talk at the workshop my aim was to demonstrate the usefulness of graph techniques for tackling problems that have been studied predominantly as problems on the term level: increasing sharing in functional programs, and addressing…

Logic in Computer Science · Computer Science 2019-02-07 Clemens Grabmayer

The integration of Large Language Models (LLMs) with Graph Representation Learning (GRL) marks a significant evolution in analyzing complex data structures. This collaboration harnesses the sophisticated linguistic capabilities of LLMs to…

Machine Learning · Computer Science 2024-02-12 Qiheng Mao , Zemin Liu , Chenghao Liu , Zhuo Li , Jianling Sun

Recent advancements in Graph Neural Networks have led to state-of-the-art performance on graph representation learning. However, the majority of existing works process directed graphs by symmetrization, which causes loss of directional…

Machine Learning · Computer Science 2022-02-04 Jie Zhang , Bo Hui , Po-Wei Harn , Min-Te Sun , Wei-Shinn Ku

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Lambek Grammars (LG) are a computational modelling of natural language, based on non-commutative compositional types. It has been widely studied, especially for languages where the syntax plays a major role (like English). The goal of this…

Computation and Language · Computer Science 2020-02-04 Valentin D. Richard

Given graphs as input, Graph Neural Networks (GNNs) support the inference of nodes, edges, attributes, or graph properties. Graph Rewriting investigates the rule-based manipulation of graphs to model complex graph transformations. We…

Machine Learning · Computer Science 2023-05-31 Adam Machowczyk , Reiko Heckel

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically,…

Machine Learning · Computer Science 2024-04-10 Alessio Gravina , Davide Bacciu

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng
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