Related papers: Parallel Tempering with Equi-Energy Moves
Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable,…
Graph Neural Networks deliver strong classification results but often suffer from poor calibration performance, leading to overconfidence or underconfidence. This is particularly problematic in high stakes applications where accurate…
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ExponenTial Smoothing (ETS) is a widely adopted forecasting technique in both research and practical applications. One critical development in ETS was the establishment of a robust statistical foundation based on state space models with a…
The accurate quantum chemical calculation of excited states is a challenging task, often requiring computationally demanding methods. When entire ground and excited potential energy surfaces (PESs) are desired, e.g., to predict the…
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Parameterized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and…
We propose a replica-exchange method (REM) which does not use pseudo random numbers. For this purpose, we first give a conditional probability for Gibbs sampling replica-exchange method (GSREM) based on the heat bath method. In GSREM,…
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Spectral estimation (SE) aims to identify how the energy of a signal (e.g., a time series) is distributed across different frequencies. This can become particularly challenging when only partial and noisy observations of the signal are…
The HP model of protein folding, where the chain exists in a free medium, is investigated using a parallel Monte Carlo scheme based upon Wang-Landau sampling. Expanding on the work of Wust and Landau by introducing a lesser known replica…
One of the key features of lasers operating near exceptional points (EPs) is that the gain medium can support an oscillating population inversion above a pump threshold, leading to self-modulated laser dynamics. This unusual behavior opens…
We present an experimental study of energy-to-solution (ETS) of hybrid quantum-classical applications, enabled by direct instrumentation of power consumption of a Forte Enterprise trapped-ion quantum processor. We apply this methodology to…