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Recent techniques on implicit geometry representation learning and neural rendering have shown promising results for 3D clothed human reconstruction from sparse video inputs. However, it is still challenging to reconstruct detailed surface…
Predicting absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties remains a critical bottleneck in drug discovery. While molecular fingerprints effectively capture local structural features, they struggle to…
Weak measurements of a superconducting qubit produce noisy voltage signals that are weakly correlated with the qubit state. To recover individual quantum trajectories from these noisy signals, traditional methods require slow qubit dynamics…
A critical vulnerability of supervised deep learning in high-dimensional tabular domains is "generalization collapse": models form precise decision boundaries around known training distributions but fail catastrophically when encountering…
We introduce deep learning technique to perform complete mode decomposition for few-mode optical fiber for the first time. Our goal is to learn a fast and accurate mapping from near-field beam profiles to the complete mode coefficients,…
Data-driven methods have become increasingly more prominent for musculoskeletal modelling due to their conceptually intuitive simple and fast implementation. However, the performance of a pre-trained data-driven model using the data from…
Channel reconstruction and generalization capability are of equal importance for developing channel estimation schemes within deep learning (DL) framework. In this paper, we exploit a novel DL-based scheme for efficient OFDM channel…
Data-driven approaches are particularly useful for computational materials discovery and design as they can be used for rapidly screening over a very large number of materials, thus suggesting lead candidates for further in-depth…
The modeling of realistic magnetic materials requires the inclusion of defects. Based on the pseudospectral Landau-Lifshitz description of magnetisation dynamics, we propose a statistical model that takes into account defects, specifically…
Physics-aware deep learning (PADL) has gained popularity for use in complex spatiotemporal dynamics (field evolution) simulations, such as those that arise frequently in computational modeling of energetic materials (EM). Here, we show that…
Training a neural network (NN) typically relies on some type of curve-following method, such as gradient descent (GD) (and stochastic gradient descent (SGD)), ADADELTA, ADAM or limited memory algorithms. Convergence for these algorithms…
Out-of-equilibrium quantum many-body systems exhibit rapid correlation buildup that underlies many emerging phenomena. Exact wave-function methods to describe this scale exponentially with particle number; simpler mean-field approaches…
Modeling hysteretic switching dynamics in memristive devices is computationally demanding due to coupled ionic and electronic transport processes. This challenge is particularly relevant for emerging two-dimensional (2D) devices, which…
Classically, ML models trained with stochastic gradient descent (SGD) are designed to minimize the average loss per example and use a distribution of training examples that remains {\em static} in the course of training. Research in recent…
The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…
Training deep neural network is a high dimensional and a highly non-convex optimization problem. Stochastic gradient descent (SGD) algorithm and it's variations are the current state-of-the-art solvers for this task. However, due to…
Quantum theory provides non-classical principles, such as superposition and entanglement, that inspires promising paradigms in machine learning. However, most existing quantum-inspired fusion models rely solely on unitary or unitary-like…
Despite the striking successes of deep neural networks trained with gradient-based optimization, these methods differ fundamentally from their biological counterparts. This gap raises key questions about how nature achieves robust,…
To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…
We analyze recurrent neural networks with diagonal hidden-to-hidden weight matrices, trained with gradient descent in the supervised learning setting, and prove that gradient descent can achieve optimality \emph{without} massive…