相关论文: A multi-category inverse design neural network and…

A growing number of systems are represented as networks whose architecture conveys significant information and determines many of their properties. Examples of network architecture include modular, bipartite, and core-periphery structures.…

Microstructural materials design is one of the most important applications of inverse modeling in materials science. Generally speaking, there are two broad modeling paradigms in scientific applications: forward and inverse. While the…

We use a semi-supervised, neural-network based machine learning technique, the confusion method, to investigate structural transitions in magnetic polymers, which we model as chains of magnetic colloidal nanoparticles characterized by…

Microstructure reconstruction is an important cornerstone to the inverse materials design concept. In this work, a general algorithm is developed to reconstruct a three-dimensional microstructure from given descriptors. Based on…

Neural networks have emerged as a promising paradigm for quantum information processing, yet they confront the challenge of generating training datasets with sufficient size and rich diversity, which is particularly acute when dealing with…

Machine learning potentials (MLPs) are becoming powerful tools for performing accurate atomistic simulations and crystal structure optimizations. An approach to developing MLPs employs a systematic set of polynomial invariants including…

Automating classification and segmentation process of abnormal regions in different body organs has a crucial role in most of medical imaging applications such as funduscopy, endoscopy, and dermoscopy. Detecting multiple abnormalities in…

Convolutional neural networks are becoming standard tools for solving object recognition and visual tasks. However, most of the design and implementation of these complex models are based on trail-and-error. In this report, the main focus…

Natural spatiotemporal processes can be highly non-stationary in many ways, e.g. the low-level non-stationarity such as spatial correlations or temporal dependencies of local pixel values; and the high-level variations such as the…

Machine-learning generative methods for material design are constructed by representing a given chemical structure, either a solid or a molecule, over appropriate atomic features, generally called structural descriptors. These must be fully…

Deep learning (DL) has revolutionized many fields such as materials design and protein folding. Recent studies have demonstrated the advantages of DL in the inverse design of structural colors, by effectively learning the complex nonlinear…

Determinantal point processes (DPPs) have attracted significant attention in machine learning for their ability to model subsets drawn from a large item collection. Recent work shows that nonsymmetric DPP (NDPP) kernels have significant…

Machine-learning techniques are evolving into a subsidiary tool for studying phase transitions in many-body systems. However, most studies are tied to situations involving only one phase transition and one order parameter. Systems that…

The joint optimization of the reconstruction and classification error is a hard non convex problem, especially when a non linear mapping is utilized. In order to overcome this obstacle, a novel optimization strategy is proposed, in which a…

This paper explores the intersection of Discrete Choice Modeling (DCM) and machine learning, focusing on the integration of image data into DCM's utility functions and its impact on model interpretability. We investigate the consequences of…

Deep learning is a promising, ultra-fast approach for inverse design in nano-optics, but despite fast advancement of the field, the computational cost of dataset generation, as well as of the training procedure itself remains a major…

In this work, we propose a multi-stage training strategy for the development of deep learning algorithms applied to problems with multiscale features. Each stage of the pro-posed strategy shares an (almost) identical network structure and…

Analysis of molecular scale interactions and chemical structure offers an enormous opportunity to tune material properties for targeted applications. However, designing materials from molecular scale is a grand challenge owing to the…

A low-rank transformation learning framework for subspace clustering and classification is here proposed. Many high-dimensional data, such as face images and motion sequences, approximately lie in a union of low-dimensional subspaces. The…

In the design of deep neural architectures, recent studies have demonstrated the benefits of grouping subnetworks into a larger network. For examples, the Inception architecture integrates multi-scale subnetworks and the residual network…