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Deep learning surrogate models are being increasingly used in accelerating scientific simulations as a replacement for costly conventional numerical techniques. However, their use remains a significant challenge when dealing with real-world…
Machine Learning with deep neural networks has transformed computational approaches to scientific and engineering problems. Central to many of these advancements are precisely tuned neural architectures that are tailored to the domains in…
We consider the numerical approximation of the inertial Landau-Lifshitz-Gilbert equation (iLLG), which describes the dynamics of the magnetization in ferromagnetic materials at subpicosecond time scales. We propose and analyze two fully…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
We study how to simulate, efficiently, pulse field gradients (PFG) used in nuclear magnetic resonance (NMR). An efficient simulation requires discretization in time and space. We study both discretizations and provide a guideline to choose…
Numerical simulation serves as a cornerstone in scientific modeling, yet the process of fine-tuning simulation parameters poses significant challenges. Conventionally, parameter adjustment relies on extensive numerical simulations, data…
Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more…
We present MuMax, a general-purpose micromagnetic simulation tool running on Graphical Processing Units (GPUs). MuMax is designed for high performance computations and specifically targets large simulations. In that case speedups of over a…
Registration is a fundamental task in medical image analysis which can be applied to several tasks including image segmentation, intra-operative tracking, multi-modal image alignment, and motion analysis. Popular registration tools such as…
Computational experiments are exploited in finding a well-designed processing path to optimize material structures for desired properties. This requires understanding the interplay between the processing-(micro)structure-property linkages…
Large-scale scientific simulations generate massive datasets, posing challenges for storage and I/O. Traditional lossy compression struggles to advance more in balancing compression ratio, data quality, and adaptability to diverse…
Deep-learning inverse techniques have attracted significant attention in recent years. Among them, the neural adjoint (NA) method, which employs a neural network surrogate simulator, has demonstrated impressive performance in the design…
Field-Programmable Gate Array (FPGA) accelerators have proven successful in handling latency- and resource-critical deep neural network (DNN) inference tasks. Among the most computationally intensive operations in a neural network (NN) is…
Electron spin qubits in quantum dot devices are promising for scalable quantum computing. However, architectural support is currently hindered by the lack of realistic and performant simulation methods for real devices. Physics-based tools…
Many real-world physics and engineering problems arise in geometrically complex domains discretized by meshes for numerical simulations. The nodes of these potentially irregular meshes naturally form point clouds whose limited tractability…
Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty…
Binary Neural Networks (BNNs) have garnered significant attention due to their immense potential for deployment on edge devices. However, the non-differentiability of the quantization function poses a challenge for the optimization of BNNs,…
Solving cell problems in homogenization is hard, and available deep-learning frameworks fail to match the speed and generality of traditional computational frameworks. More to the point, it is generally unclear what to expect of…
Machine learning potentials have emerged as a means to enhance the accuracy of biomolecular simulations. However, their application is constrained by the significant computational cost arising from the vast number of parameters compared to…
Field-programmable gate arrays (FPGAs) are widely used to implement deep learning inference. Standard deep neural network inference involves the computation of interleaved linear maps and nonlinear activation functions. Prior work for…