Related papers: Precisely computing phonons via irreducible deriva…

Integration of information from non-auditory cues can significantly improve the performance of speech-separation models. Often such models use deep modality-specific networks to obtain unimodal features, and risk being too costly or…

Physics-informed neural networks (PINNs) have recently received much attention due to their capabilities in solving both forward and inverse problems. For training a deep neural network associated with a PINN, one typically constructs a…

Pitch or fundamental frequency (f0) extraction is a fundamental problem studied extensively for its potential applications in speech and clinical applications. In literature, explicit mode specific (modal speech or singing voice or…

Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, the first-principles calculation of solid-state vibrations,…

We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion…

A previously proposed variational approach for momentum-conserving systems [J. Liu et.al., Phys. Rev. E 91, 042910 (2015)] is extended to systematically investigate general momentum-nonconserving nonlinear lattices. Two intrinsic identities…

Cubic phonon interactions are now regularly computed from first principles, and the quartic interactions have begun to receive more attention. Given this realistic anharmonic vibrational Hamiltonian, the classical phonon Green's function…

The mobility of carriers, as limited by their scattering with phonons, can now routinely be obtained from first-principles electron-phonon coupling calculations. However, so far, most computations have relied on some form of simplification…

Various applications involve assigning discrete label values to a collection of objects based on some pairwise noisy data. Due to the discrete---and hence nonconvex---structure of the problem, computing the optimal assignment (e.g.~maximum…

Phonons crucially impact a variety of properties of organic semiconductor materials. For instance, charge- and heat transport depend on low-frequency phonons, while for other properties, such as the free energy, especially high-frequency…

Detecting Out-of-Distribution (OOD) inputs is crucial for improving the reliability of deep neural networks in the real-world deployment. In this paper, inspired by the inherent distribution shift between ID and OOD data, we propose a novel…

A method is presented that allows to reduce a problem described by differential equations with initial and boundary conditions to the problem described only by differential equations. The advantage of using the modified problem for…

On the basis of the self-consistent phonon theory and the special displacement method, we develop an approach for the treatment of anharmonicity in solids. We show that this approach enables the efficient calculation of…

Phonon Boltzmann transport equation (BTE) is an important tool for studying the nanoscale thermal transport. Because phonons have a large spread in their properties, the non-gray (i.e. considering different phonon bands) phonon BTE is…

Physics-informed neural networks (PINNs) have attracted a lot of attention in scientific computing as their functional representation of partial differential equation (PDE) solutions offers flexibility and accuracy features. However, their…

In this paper we consider the numerical approximation of a semilinear reaction-diffusion model problem (PDEs) by means of reduced order methods (ROMs) based on proper orthogonal decomposition (POD). We focus on the time integration of the…

Optimization-based solvers play a central role in a wide range of signal processing and communication tasks. However, their applicability in latency-sensitive systems is limited by the sequential nature of iterative methods and the high…

Neural operator models for solving partial differential equations (PDEs) often rely on global mixing mechanisms-such as spectral convolutions or attention-which tend to oversmooth sharp local dynamics and introduce high computational cost.…

Blind deconvolution (BD) has been demonstrated as an efficacious approach for extracting bearing fault-specific features from vibration signals under strong background noise. Despite BD's desirable feature in adaptability and mathematical…

Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special…