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Aerosol particles play an important role in the climate system by absorbing and scattering radiation and influencing cloud properties. They are also one of the biggest sources of uncertainty for climate modeling. Many climate models do not…
Accurate simulations of molecules require high-level electronic-structure theory in combination with rigorous methods for approximating the quantum dynamics. Machine-learning approaches can significantly reduce the computational expense of…
We explore the idea of integrating machine learning (ML) with high performance computing (HPC)-driven simulations to address challenges in using simulations to teach computational science and engineering courses. We demonstrate that a ML…
Seismic assessment of buildings and determination of their structural damage is at the forefront of modern scientific research. Since now, several researchers have proposed a number of procedures, in an attempt to estimate the damage…
Many automated machine learning methods, such as those for hyperparameter and neural architecture optimization, are computationally expensive because they involve training many different model configurations. In this work, we present a new…
Process control and optimization have been widely used to solve decision-making problems in chemical engineering applications. However, identifying and tuning the best solution algorithm is challenging and time-consuming. Machine learning…
In recent years, due to a higher demand for portable devices, which provide restricted amounts of processing capacity and battery power, the need for energy and time efficient hard- and software solutions has increased. Preliminary…
Machine learning is increasingly used to improve decisions within branch-and-bound algorithms for mixed-integer programming. Many existing approaches rely on deep learning, which often requires very large training datasets and substantial…
Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio…
The expansion in automation of increasingly fast applications and low-power edge devices poses a particular challenge for optimization based control algorithms, like model predictive control. Our proposed machine-learning supported approach…
Training machine learning algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from costly…
Recent years have seen a dramatic increase in the microarchitectural complexity of processors. This increase in complexity presents a twofold challenge for the field of computer architecture. First, no individual architect can fully…
Computationally efficient classification system architecture is proposed. It utilizes fast tensor-vector multiplication algorithm to apply linear operators upon input signals . The approach is applicable to wide variety of recognition…
One of the main aims in the field of quantum simulation is to achieve a quantum speedup, often referred to as "quantum computational supremacy", referring to the experimental realization of a quantum device that computationally outperforms…
Design of next generation computer systems should be supported by simulation infrastructure that must achieve a few contradictory goals such as fast execution time, high accuracy, and enough flexibility to allow comparison between large…
Methods for neural network hyperparameter optimization and meta-modeling are computationally expensive due to the need to train a large number of model configurations. In this paper, we show that standard frequentist regression models can…
Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…
Many engineering processes exist in the industry, text books and international standards. However, in practice rarely any of the processes are followed consistently and literally. It is observed across industries the processes are altered…
We propose a generic algorithmic building block to accelerate training of machine learning models on heterogeneous compute systems. Our scheme allows to efficiently employ compute accelerators such as GPUs and FPGAs for the training of…
Neural architectures and hardware accelerators have been two driving forces for the progress in deep learning. Previous works typically attempt to optimize hardware given a fixed model architecture or model architecture given fixed…