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Algebraic Multigrid (AMG) methods are state-of-the-art algebraic solvers for partial differential equations. Still, their efficiency depends heavily on the choice of suitable parameters and/or ingredients. Paradigmatic examples include the…

Large-scale distributed training of deep neural networks results in models with worse generalization performance as a result of the increase in the effective mini-batch size. Previous approaches attempt to address this problem by varying…

Deep Neural Networks (DNNs) are widely used by engineers to solve difficult problems that require predictive modeling from data. However, these models are often massive, with millions or billions of parameters, and require substantial…

Deep neural networks (DNNs) have proven to be highly effective in a variety of tasks, making them the go-to method for problems requiring high-level predictive power. Despite this success, the inner workings of DNNs are often not…

Deep neural networks (DNNs) underpin many machine learning applications. Production quality DNN models achieve high inference accuracy by training millions of DNN parameters which has a significant resource footprint. This presents a…

Although deeper and larger neural networks have achieved better performance, the complex network structure and increasing computational cost cannot meet the demands of many resource-constrained applications. Existing methods usually choose…

With the rapid development of Deep Learning, more and more applications on the cloud and edge tend to utilize large DNN (Deep Neural Network) models for improved task execution efficiency as well as decision-making quality. Due to memory…

This paper presents a dynamic network rewiring (DNR) method to generate pruned deep neural network (DNN) models that are robust against adversarial attacks yet maintain high accuracy on clean images. In particular, the disclosed DNR method…

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between…

Deep neural networks (DNNs) have shown great success in many machine learning tasks. Their training is challenging since the loss surface of the network architecture is generally non-convex, or even non-smooth. How and under what…

Modern Deep Neural Networks (DNNs) require significant memory to store weight, activations, and other intermediate tensors during training. Hence, many models do not fit one GPU device or can be trained using only a small per-GPU batch…

Data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. Among them, graph neural networks (GNNs) that operate on mesh-based data are desirable because they possess inductive biases that promote…

We propose a decoupled divergence-free neural networks basis (Decoupled-DFNN) method for solving incompressible flow problems, including the Stokes and Navier-Stokes equations. To ensure the divergence free property exactly, the velocity…

We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

Current state-of-the-art deep neural networks for image classification are made up of 10 - 100 million learnable weights and are therefore inherently prone to overfitting. The complexity of the weight count can be seen as a function of the…

Accurate numerical solutions for the Schr\"odinger equation are of utmost importance in quantum chemistry. However, the computational cost of current high-accuracy methods scales poorly with the number of interacting particles. Combining…

Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…

Simulation of spiking neural networks has been traditionally done on high-performance supercomputers or large-scale clusters. Utilizing the parallel nature of neural network computation algorithms, GeNN (GPU Enhanced Neural Network)…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Deep neural networks (DNN) are typically optimized using stochastic gradient descent (SGD). However, the estimation of the gradient using stochastic samples tends to be noisy and unreliable, resulting in large gradient variance and bad…