相关论文: Spatial statistics for screening molecular structu…

Identifying co-varying causal elements in very high dimensional feature space with internal structures, e.g., a space with as many as millions of linearly ordered features, as one typically encounters in problems such as whole genome…

Defects dictate the properties of many functional materials. To understand the behaviour of defects and their impact on physical properties, it is necessary to identify the most stable defect geometries. However, global structure searching…

Large kernel convolutions offer a scalable alternative to vision transformers for high-resolution 3D volumetric analysis, yet naively increasing kernel size often leads to optimization instability. Motivated by the spatial bias inherent in…

It is difficult to quantify structure-property relationships and to identify structural features of complex materials. The characterization of amorphous materials is especially challenging because their lack of long-range order makes it…

Unlike standard object classification, where the image to be classified contains one or multiple instances of the same object, indoor scene classification is quite different since the image consists of multiple distinct objects. Further,…

The usual fluid equations describing the large-scale evolution of mass density in the universe can be written as local in the density, velocity divergence, and velocity potential fields. As a result, the perturbative expansion in small…

We propose a simple, yet effective approach for spatiotemporal feature learning using deep 3-dimensional convolutional networks (3D ConvNets) trained on a large scale supervised video dataset. Our findings are three-fold: 1) 3D ConvNets are…

Designing topological materials with specific topological indices is a complex inverse problem, traditionally tackled through manual, intuition-driven methods that are neither scalable nor efficient for exploring the vast space of possible…

Analytic methods are emerging in solid and configuration modeling, while providing new insights into a variety of shape and motion related problems by exploiting tools from group morphology, convolution algebras, and harmonic analysis.…

Convolutional Neural Networks (CNNs) have become the method of choice for learning problems involving 2D planar images. However, a number of problems of recent interest have created a demand for models that can analyze spherical images.…

A fundamental problem faced by object recognition systems is that objects and their features can appear in different locations, scales and orientations. Current deep learning methods attempt to achieve invariance to local translations via…

Support vector machines (SVMs) rely on the inherent geometry of a data set to classify training data. Because of this, we believe SVMs are an excellent candidate to guide the development of an analytic feature selection algorithm, as…

The covariance function and the variogram play very important roles in modelling and in prediction of spatial and spatio-temporal data. The assumption of second order stationarity, in space and time, is often made in the analysis of spatial…

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Morphological development into evolutionary patterns under structural instability is ubiquitous in living systems and often of vital importance for engineering structures. Here we propose a data-driven approach to understand and predict…

In this article, we develop comprehensive frequency domain methods for estimating and inferring the second-order structure of spatial point processes. The main element here is on utilizing the discrete Fourier transform (DFT) of the point…

Scientific fields such as insider-threat detection and highway-safety planning often lack sufficient amounts of time-series data to estimate statistical models for the purpose of scientific discovery. Moreover, the available limited data…

Modern high-resolution microscopes, such as the scanning tunneling microscope, are commonly used to study specimens that have dense and aperiodic spatial structure. Extracting meaningful information from images obtained from such…

Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…

Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate…