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Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Calibration is a vital step in the development of rigorous digital models of diverse physical and chemical processes, yet one which is highly time- and labour-intensive. In this paper, we introduce a novel tool, Autonomous Calibration and…
Acquiring, processing, and visualizing geospatial data requires significant computing resources, especially for large spatio-temporal domains. This challenge hinders the rapid discovery of predictive features, which is essential for…
Finite mixture models are powerful tools for modelling and analyzing heterogeneous data. Parameter estimation is typically carried out using maximum likelihood estimation via the Expectation-Maximization (EM) algorithm. Recently, the…
Mixture models serve as one fundamental tool with versatile applications. However, their training techniques, like the popular Expectation Maximization (EM) algorithm, are notoriously sensitive to parameter initialization and often suffer…
Traditional models of climate change use complex systems of coupled equations to simulate physical processes across the Earth system. These simulations are highly computationally expensive, limiting our predictions of climate change and…
Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…
The emergence of connected vehicles is driven by increasing customer and regulatory demands. To meet these, more complex software applications, some of which require service-based cloud and edge backends, are developed. When new software is…
Extreme Learning Machines (ELM) provide a fast alternative to traditional gradient-based learning in neural networks, offering rapid training and robust generalization capabilities. Its theoretical basis shows its universal approximation…
Systems design processes are increasingly reliant on simulation models to inform design decisions. A pervasive issue within the systems engineering community is trusting in the models used to make decisions about complex systems. This work…
We use the emulation framework CosmoPower to construct and publicly release neural network emulators of cosmological observables, including the Cosmic Microwave Background (CMB) temperature and polarization power spectra, matter power…
Extreme edge computing (EEC) refers to the endmost part of edge computing wherein computational tasks and edge services are deployed only on extreme edge devices (EEDs). EEDs are consumer or user-owned devices that offer computational…
This study aims to investigate the utilization of Bayesian techniques for the calibration of micro-electro-mechanical systems (MEMS) accelerometers. These devices have garnered substantial interest in various practical applications and…
Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…
The rapid advancement of large-scale cosmological simulations has opened new avenues for cosmological and astrophysical research. However, the increasing diversity among cosmological simulation models presents a challenge to the robustness.…
We introduce ClimateMachine, a new open-source atmosphere modeling framework using the Julia language to be performance portable on central processing units (CPUs) and graphics processing units (GPUs). ClimateMachine uses a common framework…
Extracellular matrix (ECM) remodeling is central to a wide variety of healthy and diseased tissue processes. Unfortunately, predicting ECM remodeling under various chemical and mechanical conditions has proven to be excessively challenging,…
We consider the issue of calibration in large language models (LLM). Recent studies have found that common interventions such as instruction tuning often result in poorly calibrated LLMs. Although calibration is well-explored in traditional…
Computer models are commonly used to represent a wide range of real systems, but they often involve some unknown parameters. Estimating the parameters by collecting physical data becomes essential in many scientific fields, ranging from…
System identification is a key step for model-based control, estimator design, and output prediction. This work considers the offline identification of partially observed nonlinear systems. We empirically show that the certainty-equivalent…