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Optimizing the performance of computational fluid dynamics (CFD) applications accelerated by graphics processing units (GPUs) is crucial for efficient simulations. In this study, we employed a machine learning-based autotuning technique to…

The speed of deep neural networks training has become a big bottleneck of deep learning research and development. For example, training GoogleNet by ImageNet dataset on one Nvidia K20 GPU needs 21 days. To speed up the training process, the…

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Approximate computing offers promising energy efficiency benefits for error-tolerant applications, but discovering optimal approximations requires extensive design space exploration (DSE). Predicting the accuracy of circuits composed of…

Graph Neural Networks (GNNs) show strong promise for circuit analysis, but scaling to modern large-scale circuit graphs is limited by GPU memory and training cost, especially for deep models. We revisit deep GNNs for circuit graphs and show…

Ultra-high-definition (UHD) video denoising requires simultaneously suppressing complex spatio-temporal degradations, preserving fine textures and chromatic stability, and maintaining efficient full-resolution 4K deployment. In this paper,…

Deep learning researchers and practitioners usually leverage GPUs to help train their deep neural networks (DNNs) faster. However, choosing which GPU to use is challenging both because (i) there are many options, and (ii) users grapple with…

One of the keys for deep learning to have made a breakthrough in various fields was to utilize high computing powers centering around GPUs. Enabling the use of further computing abilities by distributed processing is essential not only to…

In this study, we employ Graph Neural Networks (GNNs) to accelerate the discovery of novel 2D magnetic materials which have transformative potential in spintronics applications. Using data from the Materials Project database and the…

Computational Intelligence (CI) techniques have shown great potential as a surrogate model of expensive physics simulation, with demonstrated ability to make fast predictions, albeit at the expense of accuracy in some cases. For many…

Graph Neural Networks (GNNs) have emerged as powerful tools for various graph mining tasks, yet existing scalable solutions often struggle to balance execution efficiency with prediction accuracy. These difficulties stem from iterative…

Graph Neural Networks (GNNs) have advanced spatiotemporal forecasting by leveraging relational inductive biases among sensors (or any other measuring scheme) represented as nodes in a graph. However, current methods often rely on Recurrent…

The training process of Deep Neural Network (DNN) is compute-intensive, often taking days to weeks to train a DNN model. Therefore, parallel execution of DNN training on GPUs is a widely adopted approach to speed up the process nowadays.…

Geometric graph neural networks (GNNs) excel at capturing molecular geometry, yet their locality-biased message passing hampers the modeling of long-range interactions. Current solutions have fundamental limitations: extending cutoff radii…

Recent advances in applying Graph Neural Networks (GNNs) to molecular science have showcased the power of learning three-dimensional (3D) structure representations with GNNs. However, most existing GNNs suffer from the limitations of…

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

In this paper, we propose an elegant solution that is directly addressing the bottlenecks of the traditional deep learning approaches and offers a clearly explainable internal architecture that can outperform the existing methods, requires…

We develop a polycrystal graph neural network (PGNN) model for predicting the effective properties of polycrystalline materials, using the Li7La3Zr2O12 ceramic as an example. A large-scale dataset with >5000 different three-dimensional…

Interatomic potentials learned using machine learning methods have been successfully applied to atomistic simulations. However, accurate models require large training datasets, while generating reference calculations is computationally…

Theoretical simulation is helpful for accurate interpretation of experimental X-ray absorption near-edge structure (XANES) spectra that contain rich atomic and electronic structure information of materials. However, current simulation…