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This paper explores the use of artificial neural networks for the stable and data-driven selection of the frequency parameter in hyperbolic polynomial penalized splines (HP-splines). This parameter defines the underlying spline space and is…
Recently, physics informed neural networks have successfully been applied to a broad variety of problems in applied mathematics and engineering. The principle idea is to use a neural network as a global ansatz function to partial…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
Originated from distributed learning, federated learning enables privacy-preserved collaboration on a new abstracted level by sharing the model parameters only. While the current research mainly focuses on optimizing learning algorithms and…
Federated learning is an emerging distributed machine learning framework aiming at protecting data privacy. Data heterogeneity is one of the core challenges in federated learning, which could severely degrade the convergence rate and…
Conventional federated learning (FL) frameworks often suffer from training degradation due to data uncertainty and heterogeneity across local clients. Probabilistic approaches such as Bayesian neural networks (BNNs) can mitigate this issue…
Most estimators collapse all uncertainty modes into a single confidence score, preventing reliable reasoning about when to allocate more compute or adjust inference. We introduce Uncertainty-Guided Inference-Time Selection, a lightweight…
The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…
To improve the uncertainty quantification of variance networks, we propose a novel tree-structured local neural network model that partitions the feature space into multiple regions based on uncertainty heterogeneity. A tree is built upon…
Both biological and artificial neural networks inherently balance their performance with their operational cost, which balances their computational abilities. Typically, an efficient neuromorphic neural network is one that learns…
Ultra-fast, precise, and controlled amplitude surrogates are essential for future LHC event generation. First, we investigate the noise reduction and biases of network ensembles and outline a new method to learn well-calibrated systematic…
Low-count positron emission tomography (PET) reconstruction is a challenging inverse problem due to severe degradations arising from Poisson noise, photon scarcity, and attenuation correction errors. Existing deep learning methods typically…
Using the information theory, this study provides insights into how the construction of latent space of autoencoder (AE) using deep neural network (DNN) training finds a smooth low-dimensional manifold in the stiff dynamical system. Our…
Deep learning (DL) has shown great potential in medical image enhancement problems, such as super-resolution or image synthesis. However, to date, little consideration has been given to uncertainty quantification over the output image. Here…
Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…
Ensemble learning has gain attention in resent deep learning research as a way to further boost the accuracy and generalizability of deep neural network (DNN) models. Recent ensemble training method explores different training algorithms or…
We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…
We present a probabilistic deep learning methodology that enables the construction of predictive data-driven surrogates for stochastic systems. Leveraging recent advances in variational inference with implicit distributions, we put forth a…
Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…
Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…