相关论文: Deep learning-driven evaluation and prediction of …

The paper considers the problem of deep-learning-based classification of digitally modulated signals using I/Q data and studies the generalization ability of a trained neural network (NN) to correctly classify digitally modulated signals it…

Lithium-Ion (Li-I) batteries have recently become pervasive and are used in many physical assets. To enable a good prediction of the end of discharge of batteries, detailed electrochemical Li-I battery models have been developed. Their…

Deep neural networks (DNNs) are powerful black-box predictors that have achieved impressive performance on a wide variety of tasks. However, their accuracy comes at the cost of intelligibility: it is usually unclear how they make their…

We introduce a coarse-grained deep neural network model (CG-DNN) for liquid water that utilizes 50 rotational and translational invariant coordinates, and is trained exclusively against energies of ~30,000 bulk water configurations. Our…

Understanding the morphological changes of primary neuronal cells induced by chemical compounds is essential for drug discovery. Using the data from a single high-throughput imaging assay, a classification model for predicting the…

Atomistic simulations can provide useful insights into the physical properties of multi-principal-element alloys. However, classical potentials mostly fail to capture key quantum (electronic-structure) effects. We present a deep 3D…

In routine colorectal cancer management, histologic samples stained with hematoxylin and eosin are commonly used. Nonetheless, their potential for defining objective biomarkers for patient stratification and treatment selection is still…

The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To identify promising NASICONs containing earth-abundant…

In molecular simulations, neural network force fields aim at achieving \emph{ab initio} accuracy with reduced computational cost. This work introduces enhancements to the Deep Potential network architecture, integrating a message-passing…

We train a deep neural network (DNN) to output rates of dark matter (DM) induced electron excitations in silicon and germanium detectors. Our DNN provides a massive speedup of around $5$ orders of magnitude relative to existing methods…

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Deep neural networks (DNNs) have enabled astounding progress in several vision-based problems. Despite showing high predictive accuracy, recently, several works have revealed that they tend to provide overconfident predictions and thus are…

The topology of nanoporous metals is crucial for determining their mechanical response. In this work, we generated 6,000 gold and 422 silver nanoporous structures and calculated three components of elastic modulus with Molecular Dynamics…

We present a novel methodology of augmenting the scattering data measured by small angle neutron scattering via an emerging deep convolutional neural network (CNN) that is widely used in artificial intelligence (AI). Data collection time is…

The emergent multi-principal element alloys (MPEAs) provide a vast compositional space to search for novel materials for technological advances. However, how to efficiently identify optimal compositions from such a large design space for…

Supervised deep convolutional neural networks (DCNNs) are currently one of the best computational models that can explain how the primate ventral visual stream solves object recognition. However, embodied cognition has not been considered…

Deep neural networks (DNNs) are often coupled with physics-based models or data-driven surrogate models to perform fault detection and health monitoring of systems in the low data regime. These models serve as digital twins to generate…

Atomistic modeling of energetic disorder in organic semiconductors (OSCs) and its effects on the optoelectronic properties of OSCs requires a large number of excited-state electronic-structure calculations, a computationally daunting task…

Woven fabrics play an essential role in everyday textiles for clothing/sportswear, water filtration, and retaining walls, to reinforcements in stiff composites for lightweight structures like aerospace, sporting, automotive, and marine…

Due to extreme chemical, thermal, and radiation environments, existing molten salt property databases lack the necessary experimental thermal properties of reactor-relevant salt compositions. Meanwhile, simulating these properties directly…