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Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…

Quantization is a widely used technique to compress and accelerate deep neural networks. However, conventional quantization methods use the same bit-width for all (or most of) the layers, which often suffer significant accuracy degradation…

The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods…

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Combinatorial optimization (CO) problems are crucial in various scientific and industrial applications. Recently, researchers have proposed using unsupervised Graph Neural Networks (GNNs) to address NP-hard combinatorial optimization…

Graph Neural Networks (GNNs) have shown expressive performance on graph representation learning by aggregating information from neighbors. Recently, some studies have discussed the importance of modeling neighborhood distribution on the…

Knowledge representation learning has been commonly adopted to incorporate knowledge graph (KG) into various online services. Although existing knowledge representation learning methods have achieved considerable performance improvement,…

Quantum Computing promises to solve complex combinatorial optimization problems more efficiently than classical methods, with the Quantum Approximate Optimization Algorithm (QAOA) being a leading candidate. Recent fixed-parameter variations…

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

This paper presents incremental network quantization (INQ), a novel method, targeting to efficiently convert any pre-trained full-precision convolutional neural network (CNN) model into a low-precision version whose weights are constrained…

The Segment Anything Model (SAM) is a popular vision foundation model; however, its high computational and memory demands make deployment on resource-constrained devices challenging. While Post-Training Quantization (PTQ) is a practical…

Graph neural networks (GNNs) are powerful tools for learning from graph data and are widely used in various applications such as social network recommendation, fraud detection, and graph search. The graphs in these applications are…

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs…

Graph Neural Network (GNN) on streaming graphs has gained increasing popularity. However, its practical deployment remains challenging, as the inference process relies on Runtime Embedding Computation (RTEC) to capture recent graph changes.…

Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on…

This paper studies four Graph Neural Network architectures (GNNs) for a graph classification task on a synthetic dataset created using classic generative models of Network Science. Since the synthetic networks do not contain (node or edge)…

A graph neural network (GNN) approach is introduced in this work which enables mesh-based three-dimensional super-resolution of fluid flows. In this framework, the GNN is designed to operate not on the full mesh-based field at once, but on…

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Running Deep Neural Network (DNN) models on devices with limited computational capability is a challenge due to large compute and memory requirements. Quantized Neural Networks (QNNs) have emerged as a potential solution to this problem,…