相关论文: Neural network based order parameter for phase tra…

We propose a variational autoencoder (VAE) approach for parameter estimation in nonlinear mixed-effects models based on ordinary differential equations (NLME-ODEs) using longitudinal data from multiple subjects. In moderate dimensions,…

Variational autoencoders (VAE) encode data into lower-dimensional latent vectors before decoding those vectors back to data. Once trained, one can hope to detect out-of-distribution (abnormal) latent vectors, but several issues arise when…

We investigate the diagonal entropy for ground states of the extended Kitaev chains with extensive pairing and hopping terms. The systems contain rich topological phases equivalently represented by topological invariant winding numbers and…

In this paper, we try to establish a connection between a quantum information concept, i.e. the mutual information, and the conventional order parameter in condensed matter physics. We show that a non-vanishing mutual information at a long…

Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…

Establishing appropriate mathematical models for complex systems in natural phenomena not only helps deepen our understanding of nature but can also be used for state estimation and prediction. However, the extreme complexity of natural…

In this paper, a new family of very-high-order TENO schemes with adaptive accuracy order and adaptive dissipation control (TENO-AA) is proposed. The new framework allows for constructing arbitrarily high-order TENO schemes in a unified…

Refractory high-entropy alloys show promising resistance to irradiation, yet little is known about the fundamental nature of radiation-induced defect formation. Here, we simulate threshold displacement energies in equiatomic MoNbTaVW using…

Variational autoencoders (VAEs) are powerful tools for learning latent representations of data used in a wide range of applications. In practice, VAEs usually require multiple training rounds to choose the amount of information the latent…

High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those with valuable properties, however, relies on serendipity, as…

We propose a family of novel hierarchical Bayesian deep auto-encoder models capable of identifying disentangled factors of variability in data. While many recent attempts at factor disentanglement have focused on sophisticated learning…

The ability to recognize objects despite there being differences in appearance, known as Core Object Recognition, forms a critical part of human perception. While it is understood that the brain accomplishes Core Object Recognition through…

In the framework of an extended phenomenological approach to phase transitions, it is shown that existing nonlinear relation between local critical atomic parameters and phenomenological order parameter induces the corresponding nonlinear…

Higher-order networks, naturally described as hypergraphs, are essential for modeling real-world systems involving interactions among three or more entities. Stochastic block models offer a principled framework for characterizing mesoscale…

Because of the isotropic and disordered nature of liquids, the anisotropy hidden in intermolecular interactions are often neglected. Accordingly, the order parameter describing a simple liquid has so far been believed to be only density. In…

We describe implementation and analysis of a first-principles theory, derived in an earlier work, for the leading terms in an expansion of a Gibbs free energy of a multi-component alloy in terms of order parameters that characterize…

Metal oxides such as VO$_2$ undergo structural transitions to low-symmetry phases characterized by intricate crystalline order, accompanied by rich electronic behavior. We derive a minimal ionic Hamiltonian based on symmetry and local…

We introduce a general scheme for constructing order parameters (OPs) by extracting generic patterns from the dominant Fock states of many-body ground states. While topological phases are traditionally characterized by non-local invariants,…

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development…

We apply variational autoencoders (VAE) to X-ray diffraction (XRD) data analysis on both simulated and experimental thin-film data. We show that crystal structure representations learned by a VAE reveal latent information, such as the…