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Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…
One of the main challenges in modeling massive stars to the onset of core collapse is the computational bottleneck of nucleosynthesis during advanced burning stages. The number of isotopes formed requires solving a large set of…
During the design process of an autonomous underwater vehicle (AUV), the pressure vessel has a critical role. The pressure vessel contains dry electronics, power sources, and other sensors that can not be flooded. A traditional design…
High-density through-substrate vias (TSVs) enable 2.5D/3D heterogeneous integration but introduce significant signal-integrity and thermal-reliability challenges due to electrical coupling, insertion loss, and self-heating. Conventional…
A common trend in simulation-driven engineering applications is the ever-increasing size and complexity of the problem, where classical numerical methods typically suffer from significant computational time and huge memory cost. Methods…
In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…
In neural network surrogate solvers for electromagnetic simulations, accurately modeling resonant phenomena remains a central challenge. High-amplitude resonances generate strongly localized field patterns that deviate significantly from…
The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…
Neural Networks (NNs) are effective models for refining the accuracy of molecular dynamics, opening up new fields of application. Typically trained bottom-up, atomistic NN potential models can reach first-principle accuracy, while…
Data-driven surrogate models are widely used for applications such as design optimization and uncertainty quantification, where repeated evaluations of an expensive simulator are required. For most partial differential equation (PDE)…
The computational cost of geochemical solvers is a challenging matter. For reactive transport simulations, where chemical calculations are performed up to billions of times, it is crucial to reduce the total computational time. Existing…
Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…
The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…
Recent advances in image data processing through machine learning and especially deep neural networks (DNNs) allow for new optimization and performance-enhancement schemes for radiation detectors and imaging hardware through data-endowed…
Modern power systems require fast and accurate dynamic simulations for stability assessment, digital twins, and real-time control, but classical ODE solvers are often too slow for large-scale or online applications. We propose a…
Accurate and predictive scale-resolving simulations of laser-ignited rocket engines are highly time-consuming because the problem includes turbulent fuel-oxidizer mixing dynamics, laser-induced energy deposition, and high-speed flame…
Although the quest for more accurate solutions is pushing deep learning research towards larger and more complex algorithms, edge devices demand efficient inference and therefore reduction in model size, latency and energy consumption. One…
Simulation-based plasma scenario development, optimization and control are crucial elements towards the successful deployment of next-generation experimental tokamaks and Fusion power plants. Current simulation codes require extremely…
Traditionally, 1D models based on scaling laws have been used to parameterized convective heat transfer rocks in the interior of terrestrial planets like Earth, Mars, Mercury and Venus to tackle the computational bottleneck of high-fidelity…
Biophysical neural system simulations are among the most computationally demanding scientific applications, and their optimization requires navigating high-dimensional parameter spaces under numerous constraints that impose a binary…