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Hyperparameter tuning is an omnipresent problem in machine learning as it is an integral aspect of obtaining the state-of-the-art performance for any model. Most often, hyperparameters are optimized just by training a model on a grid of…
To balance quality and cost, various domain areas of science and engineering run simulations at multiple levels of sophistication. Multi-fidelity active learning aims to learn a direct mapping from input parameters to simulation outputs at…
A deep-learning-based surrogate model capable of predicting flow and geomechanical responses in CO2 storage operations is presented and applied. The 3D recurrent R-U-Net model combines deep convolutional and recurrent neural networks to…
We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using…
A multi-fidelity (MF) active learning method is presented for design optimization problems characterized by noisy evaluations of the performance metrics. Namely, a generalized MF surrogate model is used for design-space exploration,…
We propose VDL-Surrogate, a view-dependent neural-network-latent-based surrogate model for parameter space exploration of ensemble simulations that allows high-resolution visualizations and user-specified visual mappings. Surrogate-enabled…
Even though Active Learning (AL) is widely studied, it is rarely applied in contexts outside its own scientific literature. We posit that the reason for this is AL's high computational cost coupled with the comparatively small lifts it is…
In the last few years, energy efficiency has become a challenge. Not only mitigating environmental impact but reducing energy waste can lead to financial advantages. Buildings play an important role in this: they are among the biggest…
Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…
Developing surrogates for computer models has become increasingly important for addressing complex problems in science and engineering. This article introduces an artificial intelligent (AI) surrogate, referred to as the DeepSurrogate, for…
We propose a supervised deep learning (DL) approach to perform adaptive zoning on time dependent partial differential equations that model the propagation of 1D shock waves in a compressible medium. We train a neural network on a dataset…
The advent of large language models (LLMs) capable of producing general-purpose representations lets us revisit the practicality of deep active learning (AL): By leveraging frozen LLM embeddings, we can mitigate the computational costs of…
Deep learning has proven to be effective in a wide variety of loss minimization problems. However, many applications of interest, like minimizing projected Bellman error and min-max optimization, cannot be modelled as minimizing a scalar…
Active learning is a type of sequential design for supervised machine learning, in which the learning algorithm sequentially requests the labels of selected instances from a large pool of unlabeled data points. The objective is to produce a…
Predicting model performance at larger scales enables the design of training strategies and architectures tailored to specific performance targets. Empirical scaling law research identifies functional forms to aid this prediction task.…
Solving partial differential equations (PDEs) is a fundamental problem in science and engineering. While neural PDE solvers can be more efficient than established numerical solvers, they often require large amounts of training data that is…
With the advancing capabilities of computational methodologies and resources, ultra-large-scale virtual screening via molecular docking has emerged as a prominent strategy for in silico hit discovery. Given the exhaustive nature of…
Deep Learning (DL) is increasingly used in safety-critical applications, raising concerns about its reliability. DL suffers from a well-known problem of lacking robustness, especially when faced with adversarial perturbations known as…
This article proposes a model-based deep reinforcement learning (DRL) method to design emergency control strategies for short-term voltage stability problems in power systems. Recent advances show promising results in model-free DRL-based…
Many engineering applications rely on the evaluation of expensive, non-linear high-dimensional functions. In this paper, we propose the RONAALP algorithm (Reduced Order Nonlinear Approximation with Active Learning Procedure) to…