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The Dragonfly network, with its high-radix and low-diameter structure, is a leading interconnect in high-performance computing. A major challenge is workload interference on shared network links. Parallel discrete event simulation (PDES) is…
Performing reliability analysis on complex systems is often computationally expensive. In particular, when dealing with systems having high input dimensionality, reliability estimation becomes a daunting task. A popular approach to overcome…
Autonomous systems increasingly rely on machine learning techniques to transform high-dimensional raw inputs into predictions that are then used for decision-making and control. However, it is often easy to maliciously manipulate such…
Neural PDE surrogates are often deployed in data-limited or partially observed regimes where downstream decisions depend on calibrated uncertainty in addition to low prediction error. Existing approaches obtain uncertainty through ensemble…
Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…
We demonstrate a unified approach to rigorous design of safety-critical autonomous systems using the VerifAI toolkit for formal analysis of AI-based systems. VerifAI provides an integrated toolchain for tasks spanning the design process,…
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…
Neural networks are becoming increasingly prevalent in software, and it is therefore important to be able to verify their behavior. Because verifying the correctness of neural networks is extremely challenging, it is common to focus on the…
Addressing real-world optimization challenges requires not only advanced metaheuristics but also continuous refinement of their internal mechanisms. This paper explores the integration of machine learning in the form of neural surrogate…
Neural networks are often susceptible to minor perturbations in input that cause them to misclassify. A recent solution to this problem is the use of globally-robust neural networks, which employ a function to certify that the…
The advancements in smart sensors for Industry 4.0 offer ample opportunities for low-powered predictive maintenance and condition monitoring. However, traditional approaches in this field rely on processing in the cloud, which incurs high…
Surrogate models (including deep neural networks and other machine learning algorithms in supervised learning) are capable of approximating arbitrarily complex, high-dimensional input-output problems in science and engineering, but require…
We consider the use of probabilistic neural networks for fluid flow {surrogate modeling} and data recovery. This framework is constructed by assuming that the target variables are sampled from a Gaussian distribution conditioned on the…
Oilfield development related decisions are made using reservoir simulation-based optimization study in which different production scenarios and well controls are compared. Such simulations are computationally expensive and so surrogate…
In sequential decision making, neural networks (NNs) are nowadays commonly used to represent and learn the agent's policy. This area of application has implied new software quality assessment challenges that traditional validation and…
The Worldwide LHC Computing Grid (WLCG) provides the robust computing infrastructure essential for the LHC experiments by integrating global computing resources into a cohesive entity. Simulations of different compute models present a…
Building design optimization often depends on physics-based simulation tools such as EnergyPlus, which, although accurate, are computationally expensive and slow. Surrogate models provide a faster alternative, yet most are…
Surrogate models - also called emulators - are widely used to facilitate Bayesian inference in settings where computational costs preclude the use of standard posterior inference algorithms. Their deployment is now standard practice across…
With neural networks being used to control safety-critical systems, they increasingly have to be both accurate (in the sense of matching inputs to outputs) and robust. However, these two properties are often at odds with each other and a…
Surrogate models are widely used to approximate complex systems across science and engineering to reduce computational costs. Despite their widespread adoption, the field lacks standardisation across key stages of the modelling pipeline,…