Related papers: WTMAD-4: A Fair Weighting Scheme for GMTKN55
The study of phenomena such as protein folding and conformational changes in molecules is a central theme in chemical physics. Molecular dynamics (MD) simulation is the primary tool for the study of transition processes in biomolecules, but…
Subtracting the Strutinsky shell corrections from the selfconsistent energies obtained within the Relativistic Mean Field Theory (RMFT) we have got estimates for the macroscopic part of the binding energies of 142 spherical even-even…
We present a method for ultra-fast confrontation of the WMAP cosmic microwave background observations with theoretical models, implemented as a publicly available software package called CMBfit, useful for anyone wishing to measure…
Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…
Fault-tolerant quantum computing relies on Quantum Error Correction, which encodes logical qubits into data and parity qubits. Error decoding is the process of translating the measured parity bits into types and locations of errors. To…
Methods to efficiently determine the relative stability of polymorphs of organic crystals are highly desired in crystal structure predictions (CSPs). Current methodologies include use of static lattice phonons, quasi-harmonic approximation…
We address the detection of material defects, which are inside a layered material structure using compressive sensing based multiple-input and multiple-output (MIMO) wireless radar. Here, the strong clutter due to the reflection of the…
An infinitely wide model is a weighted integration $\int \varphi(x,v) d \mu(v)$ of feature maps. This model excels at handling an infinite number of features, and thus it has been adopted to the theoretical study of deep learning. Kernel…
Kernel density estimation on a finite interval poses an outstanding challenge because of the well-recognized bias at the boundaries of the interval. Motivated by an application in cancer research, we consider a boundary constraint linking…
We present an analytical instrument model of the TMS radiometer, a pseudo-correlation system designed for absolute sky-temperature measurements through a continuous comparison between sky and reference-load signals. The goal of this work is…
In this paper, we analyze the performance of randomized benchmarking protocols on gate sets under a variety of realistic error models that include systematic rotations, amplitude damping, leakage to higher levels, and 1/f noise. We find…
A new approach is proposed to phenomenological study of a generic unified supergravity model, which reduces to the minimal supersymmetric standard model. The model is effectively parametrized in terms of five low energy observables. In…
While deep learning has revolutionized computer-aided drug discovery, the AI community has predominantly focused on model innovation and placed less emphasis on establishing best benchmarking practices. We posit that without a sound model…
Warm dense matter (WMD) describes an intermediate phase, between condensed matter and classical plasmas, found in natural and man-made systems. In a laboratory setting, WDM needs to be created dynamically. It is typically laser or…
Security analyses in quantum key distribution (QKD) and other adversarial quantum tasks often assume perfect device models. However, real-world implementations often deviate from these models. Thus, it is important to develop security…
Accurate electronic bandstructures of solids are indispensable for a wide variety of applications and should provide a sound prediction of phonon-induced band gap renormalization at finite temperatures. We employ our previously introduced…
Anomaly detection is crucial for ensuring the stability and reliability of web service systems. Logs and metrics contain multiple information that can reflect the system's operational state and potential anomalies. Thus, existing anomaly…
We perform a comparative study of applicability of the Multifractal Detrended Fluctuation Analysis (MFDFA) and the Wavelet Transform Modulus Maxima (WTMM) method in proper detecting of mono- and multifractal character of data. We quantify…
As quantum technology matures, the efficient benchmarking of quantum devices remains a key challenge. Although sample-efficient, information-theoretic benchmarking techniques have recently been proposed, there is still a gap in adapting…
Accurate and precise control of large quantum systems is paramount to achieve practical advantages on quantum devices. Therefore, benchmarking the hardware errors in quantum computers has drawn significant attention lately. Existing…