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Graph Neural Networks (GNNs) have revolutionized the field of graph learning by learning expressive graph representations from massive graph data. As a common pattern to train powerful GNNs, the "pre-training, adaptation" scheme first…
Despite the stride made by machine learning (ML) based performance modeling, two major concerns that may impede production-ready ML applications in EDA are stringent accuracy requirements and generalization capability. To this end, we…
While Graph Neural Networks (GNNs) excel on graph-structured data, their performance is fundamentally limited by the quality of the observed graph, which often contains noise, missing links, or structural properties misaligned with GNNs'…
Graph Neural Networks (GNNs) are widely used to perform different machine learning tasks on graphs. As the size of the graphs grows, and the GNNs get deeper, training and inference time become costly in addition to the memory requirement.…
Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However,…
Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…
Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…
Graph Neural Networks (GNNs) have become a central tool for learning on graph-structured data, yet their applicability to real-world systems remains limited by key challenges such as scalability, temporality, directionality, data…
Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under…
Graph analytics elicits insights from large graphs to inform critical decisions for business, safety and security. Several large-scale graph processing frameworks feature efficient runtime systems; however, they often provide programming…
Graph Convolutional Network (GCN) has been widely used in graph learning tasks. However, GCN-based models (GCNs) is an inherently coupled training framework repetitively conducting the complex neighboring aggregation, which leads to the…
Property prediction on molecular graphs is an important application of Graph Neural Networks. Recently, unlabeled molecular data has become abundant, which facilitates the rapid development of self-supervised learning for GNNs in the…
Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves…
Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases.…
Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…
Training deep graph neural networks (GNNs) poses a challenging task, as the performance of GNNs may suffer from the number of hidden message-passing layers. The literature has focused on the proposals of {over-smoothing} and…
Despite the omnipresence of tensors and tensor operations in modern deep learning, the use of tensor mathematics to formally design and describe neural networks is still under-explored within the deep learning community. To this end, we…
Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…
Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…
As Graph Neural Networks (GNNs) increase in popularity for scientific machine learning, their training and inference efficiency is becoming increasingly critical. Additionally, the deep learning field as a whole is trending towards wider…