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Current neural architectures lack a principled way to handle interchangeable tokens, i.e., symbols that are semantically equivalent yet distinguishable, such as bound variables. As a result, models trained on fixed vocabularies often…
Node2vec is a graph embedding method that learns a vector representation for each node of a weighted graph while seeking to preserve relative proximity and global structure. Numerical experiments suggest Node2vec struggles to recreate the…
We introduce the computational problem of graphlet transform of a sparse large graph. Graphlets are fundamental topology elements of all graphs/networks. They can be used as coding elements to encode graph-topological information at…
Directed graphs are widely used to model asymmetric relationships in real-world systems. However, existing directed graph neural networks often struggle to jointly capture directional semantics and global structural patterns due to their…
Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general…
Graph serves as a powerful tool for modeling data that has an underlying structure in non-Euclidean space, by encoding relations as edges and entities as nodes. Despite developments in learning from graph-structured data over the years, one…
We propose a novel positional encoding for learning graph on Transformer architecture. Existing approaches either linearize a graph to encode absolute position in the sequence of nodes, or encode relative position with another node using…
Graphs are the natural data structure to represent relational and structural information in many domains. To cover the broad range of graph-data applications including graph classification as well as graph generation, it is desirable to…
Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…
Detecting anomalies for dynamic graphs has drawn increasing attention due to their wide applications in social networks, e-commerce, and cybersecurity. Recent deep learning-based approaches have shown promising results over shallow methods.…
The transformer architecture has shown remarkable success in various domains, such as natural language processing and computer vision. When it comes to graph learning, transformers are required not only to capture the interactions between…
Existing multiplex graph models often assume homophily, where connected nodes tend to belong to the same class or share similar attributes. Consequently, these models may struggle with graphs exhibiting heterophily, where connected nodes…
In recent years, graph representation learning has gained significant popularity, which aims to generate node embeddings that capture features of graphs. One of the methods to achieve this is employing a technique called random walks that…
We propose DyGFormer, a new Transformer-based architecture for dynamic graph learning. DyGFormer is conceptually simple and only needs to learn from nodes' historical first-hop interactions by: (1) a neighbor co-occurrence encoding scheme…
While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…
Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…
One of the emerging techniques in node classification in heterogeneous graphs is to restrict message aggregation to pre-defined, semantically meaningful structures called metapaths. This work is the first attempt to incorporate attention…
We present GraphTensor, a comprehensive open-source framework that supports efficient parallel neural network processing on large graphs. GraphTensor offers a set of easy-to-use programming primitives that appreciate both graph and neural…
Large language models show great potential in unstructured data understanding, but still face significant challenges with graphs due to their structural hallucination. Existing approaches mainly either verbalize graphs into natural…
Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…