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Transformer models have recently gained popularity in graph representation learning as they have the potential to learn complex relationships beyond the ones captured by regular graph neural networks. The main research question is how to…

Machine Learning · Computer Science 2023-10-31 Yuankai Luo , Veronika Thost , Lei Shi

Knowledge Tracing (KT) aims to model a student's learning trajectory and predict performance on the next question. A key challenge is how to better represent the relationships among students, questions, and knowledge concepts (KCs).…

Artificial Intelligence · Computer Science 2026-01-26 Chi Yu , Hongyu Yuan , Zhiyi Duan

Despite the remarkable empirical performance of Transformers, their theoretical understanding remains elusive. Here, we consider a deep multi-head self-attention network, that is closely related to Transformers yet analytically tractable.…

Machine Learning · Computer Science 2024-12-10 Lorenzo Tiberi , Francesca Mignacco , Kazuki Irie , Haim Sompolinsky

Multi-head attention powers Transformer networks, the primary deep learning architecture behind the success of large language models (LLMs). Yet, the theoretical advantages of multi-head versus single-head attention, beyond mere parallel…

Machine Learning · Computer Science 2025-11-11 Haitz Sáez de Ocáriz Borde

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough…

Machine Learning · Computer Science 2019-04-24 Yue Yu , Jie Chen , Tian Gao , Mo Yu

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Due to its human-interpretability and invariance properties, Directed Acyclic Graph (DAG) has been a foundational tool across various areas of AI research, leading to significant advancements. However, DAG learning remains highly…

Machine Learning · Computer Science 2025-06-24 Naiyu Yin , Tian Gao , Yue Yu

Estimating the structure of directed acyclic graphs (DAGs) from observational data remains a significant challenge in machine learning. Most research in this area concentrates on learning a single DAG for the entire population. This paper…

Machine Learning · Statistics 2024-02-21 Ryan Thompson , Edwin V. Bonilla , Robert Kohn

Learning the structure of causal directed acyclic graphs (DAGs) is useful in many areas of machine learning and artificial intelligence, with wide applications. However, in the high-dimensional setting, it is challenging to obtain good…

Machine Learning · Statistics 2024-05-27 Stephen Smith , Qing Zhou

We propose a graph-oriented attention-based explainability method for tabular data. Tasks involving tabular data have been solved mostly using traditional tree-based machine learning models which have the challenges of feature selection and…

Machine Learning · Computer Science 2024-06-05 Andrea Treviño Gavito , Diego Klabjan , Jean Utke

In complex multivariate systems, interactions among variables are defined by dependency structures, often encoded as directed acyclic graphs ($\text{DAGs}$). However, dependency structures can vary across subjects, and ignoring this…

Machine Learning · Statistics 2026-05-20 Honglin Du , Muxuan Liang , Xiang Zhong

Knowledge graphs (KGs) have helped neural models improve performance on various knowledge-intensive tasks, like question answering and item recommendation. By using attention over the KG, such KG-augmented models can also "explain" which KG…

Computation and Language · Computer Science 2021-05-05 Mrigank Raman , Aaron Chan , Siddhant Agarwal , Peifeng Wang , Hansen Wang , Sungchul Kim , Ryan Rossi , Handong Zhao , Nedim Lipka , Xiang Ren

Dynamic graph embedding has emerged as a very effective technique for addressing diverse temporal graph analytic tasks (i.e., link prediction, node classification, recommender systems, anomaly detection, and graph generation) in various…

Machine Learning · Computer Science 2023-12-27 Alan John Varghese , Aniruddha Bora , Mengjia Xu , George Em Karniadakis

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

A knowledge graph (KG) is a data structure which represents entities and relations as the vertices and edges of a directed graph with edge types. KGs are an important primitive in modern machine learning and artificial intelligence.…

Artificial Intelligence · Computer Science 2021-10-20 Michael R. Douglas , Michael Simkin , Omri Ben-Eliezer , Tianqi Wu , Peter Chin , Trung V. Dang , Andrew Wood

The incredible success of transformers on sequence modeling tasks can be largely attributed to the self-attention mechanism, which allows information to be transferred between different parts of a sequence. Self-attention allows…

Machine Learning · Computer Science 2024-08-14 Eshaan Nichani , Alex Damian , Jason D. Lee

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

Knowledge graphs (KGs) are becoming essential resources for many downstream applications. However, their incompleteness may limit their potential. Thus, continuous curation is needed to mitigate this problem. One of the strategies to…

Artificial Intelligence · Computer Science 2023-08-29 Bayu Distiawan Trisedya , Flora D Salim , Jeffrey Chan , Damiano Spina , Falk Scholer , Mark Sanderson

By incorporating the graph structural information into Transformers, graph Transformers have exhibited promising performance for graph representation learning in recent years. Existing graph Transformers leverage specific strategies, such…

Machine Learning · Computer Science 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

A well-studied challenge that arises in the structure learning problem of causal directed acyclic graphs (DAG) is that using observational data, one can only learn the graph up to a "Markov equivalence class" (MEC). The remaining undirected…

Machine Learning · Computer Science 2022-05-20 Vibhor Porwal , Piyush Srivastava , Gaurav Sinha
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