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We present the design and optimization of a linear solver on General Purpose GPUs for the efficient and high-throughput evaluation of the marginalized graph kernel between pairs of labeled graphs. The solver implements a preconditioned…
Neural Architecture Search (NAS) methods have shown to output networks that largely outperform human-designed networks. However, conventional NAS methods have mostly tackled the single dataset scenario, incuring in a large computational…
Numerical techniques for solving partial differential equations (PDEs) are integral for many fields across science and engineering. Such techniques usually involve solving large, sparse linear systems, where preconditioning methods are…
Multiphysics problems such as multicomponent diffusion, phase transformations in multiphase systems and alloy solidification involve numerical solution of a coupled system of nonlinear partial differential equations (PDEs). Numerical…
Neural networks often struggle with high-dimensional but small sample-size tabular datasets. One reason is that current weight initialisation methods assume independence between weights, which can be problematic when there are insufficient…
Developing suitable approximate models for analyzing and simulating complex nonlinear systems is practically important. This paper aims at exploring the skill of a rich class of nonlinear stochastic models, known as the conditional Gaussian…
Partitioning is a known problem in computer science and is critical in chip design workflows, as advancements in this area can significantly influence design quality and efficiency. Deep Learning (DL) techniques, particularly those…
Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art graph learning model. However, it can be notoriously challenging to inference GCNs over large graph datasets, limiting their application to large real-world graphs and…
Neural network-based methods have emerged as powerful tools for solving partial differential equations (PDEs) in scientific and engineering applications, particularly when handling complex domains or incorporating empirical data. These…
Large-scale or high-resolution geologic models usually comprise a huge number of grid blocks, which can be computationally demanding and time-consuming to solve with numerical simulators. Therefore, it is advantageous to upscale geologic…
We present and analyze a preconditioned conjugate gradient method (PCG) for solving spatial network problems. Primarily, we consider diffusion and structural mechanics simulations for fiber based materials, but the methodology can be…
Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art method for graph-based learning tasks. However, training GCNs at scale is still challenging, hindering both the exploration of more sophisticated GCN architectures and…
Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating…
Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…
Pre-trained representation is one of the key elements in the success of modern deep learning. However, existing works on continual learning methods have mostly focused on learning models incrementally from scratch. In this paper, we explore…
The Graph Convolutional Network (GCN) model and its variants are powerful graph embedding tools for facilitating classification and clustering on graphs. However, a major challenge is to reduce the complexity of layered GCNs and make them…
Physics-informed neural networks solve partial differential equations by training neural networks. Since this method approximates infinite-dimensional PDE solutions with finite collocation points, minimizing discretization errors by…
In this paper, we study fast iterative solvers for the solution of fourth order parabolic equations discretized by mixed finite element methods. We propose to use consistent mass matrix in the discretization and use lumped mass matrix to…
Physics-informed neural networks (PINNs) have recently emerged as a popular approach for solving forward and inverse problems involving partial differential equations (PDEs). Compared to fully connected neural networks, PINNs based on…
This paper is focused on the improvement the efficiency of the sparse convolutional neural networks (CNNs) layers on graphic processing units (GPU). The Nvidia deep neural network (cuDnn) library provides the most effective implementation…