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The success of deep learning has inspired recent interests in applying neural networks in statistical inference. In this paper, we investigate the use of deep neural networks for nonparametric regression with measurement errors. We propose…
The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…
Nitrogen-vacancy (NV) centers in diamond are a versatile quantum sensing platform for high sensitivity measurements of magnetic fields, temperature and strain with nanoscale spatial resolution. A common bottleneck is the analysis of…
Dislocations control the mechanical behavior of crystalline materials, yet their quantitative characterization in bulk has remained elusive. Transmission Electron Microscopy provides atomic-scale resolution but is restricted to thin foils,…
Feedforward neural networks are widely used as universal predictive models to fit data distribution. Common gradient-based learning, however, suffers from many drawbacks making the training process ineffective and time-consuming.…
Deep classifiers are known to rely on spurious features $\unicode{x2013}$ patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying…
Existing NeRF-based inverse rendering methods suppose that scenes are exclusively illuminated by distant light sources, neglecting the potential influence of emissive sources within a scene. In this work, we confront this limitation using…
Conditional Random Rields (CRF) have been widely applied in image segmentations. While most studies rely on hand-crafted features, we here propose to exploit a pre-trained large convolutional neural network (CNN) to generate deep features…
Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…
The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…
The study of structure-spectrum relationships is essential for spectral interpretation, impacting structural elucidation and material design. Predicting spectra from molecular structures is challenging due to their complex relationships.…
Recent works on generalizable NeRFs have shown promising results on novel view synthesis from single or few images. However, such models have rarely been applied on other downstream tasks beyond synthesis such as semantic understanding and…
Neural networks can be used to identify phases and phase transitions in condensed matter systems via supervised machine learning. Readily programmable through modern software libraries, we show that a standard feed-forward neural network…
Searching for fleeting radio transients like fast radio bursts (FRBs) with wide-field radio telescopes has become a common challenge in data-intensive science. Conventional algorithms normally cost enormous time to seek candidates by…
The electromagnetic nucleon form-factors data are studied with artificial feed forward neural networks. As a result the unbiased model-independent form-factor parametrizations are evaluated together with uncertainties. The Bayesian approach…
Spectrum sensing is of critical importance in any cognitive radio system. When the primary user's signal has uncertain parameters, the likelihood ratio test, which is the theoretically optimal detector, generally has no closed-form…
Energy dispersive X-ray (EDX) spectroscopy in the transmission electron microscope is a key tool for nanomaterials analysis, providing a direct link between spatial and chemical information. However, using it for precisely determining…
Due to the lack of phase information, determining the physical parameters of multilayer thin films from measured neutron and X-ray reflectivity curves is, on a fundamental level, an underdetermined inverse problem. This so-called phase…
Many problems in real-world applications involve predicting several random variables which are statistically related. Markov random fields (MRFs) are a great mathematical tool to encode such relationships. The goal of this paper is to…