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In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific…
In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…
Nowadays, we are witnessing a wide adoption of Machine learning (ML) models in many safety-critical systems, thanks to recent breakthroughs in deep learning and reinforcement learning. Many people are now interacting with systems based on…
Modern applications increasingly rely on inference serving systems to provide low-latency insights with a diverse set of machine learning models. Existing systems often utilize resource elasticity to scale with demand. However, many…
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…
Machine learning (ML) models are increasingly used in various applications, from recommendation systems in e-commerce to diagnosis prediction in healthcare. In this paper, we present a novel dynamic framework for thinking about the…
Recently, a surrogate model was proposed that employs a factorization machine to approximate the underlying input-output mapping of the original system, with quantum annealing used to optimize the resulting surrogate function. Inspired by…
Simulation models are widely used in practice to facilitate decision-making in a complex, dynamic and stochastic environment. But they are computationally expensive to execute and optimize, due to lack of analytical tractability. Simulation…
High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output…
Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and…
Computational Fluid Dynamics (CFD)-driven training combines machine learning (ML) with CFD solvers to develop physically consistent closure models with improved predictive accuracy. In the original framework, each ML-generated candidate…
High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…
Machine Learning (ML) and its applications have been transforming our lives but it is also creating issues related to the development of fair, accountable, transparent, and ethical Artificial Intelligence. As the ML models are not fully…
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…
Surrogate modeling is an essential data-driven technique for quantifying relationships between input variables and system responses in manufacturing and engineering systems. Two major challenges limit its effectiveness: (1) large data…
A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…
Deep surrogate models for parametric partial differential equations (PDEs) can deliver high-fidelity approximations but remain prohibitively data-hungry: training often requires thousands of fine-grid simulations, each incurring substantial…
The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…
Despite the extent of recent advances in Machine Learning (ML) and Neural Networks, providing formal guarantees on the behavior of these systems is still an open problem, and a crucial requirement for their adoption in regulated or…
Parallel programs in high performance computing (HPC) continue to grow in complexity and scale in the exascale era. The diversity in hardware and parallel programming models make developing, optimizing, and maintaining parallel software…