相关论文: AMOEBA: Automated Molecular Excitation Bayesian Li…
The tuning of hyperparameters becomes increasingly important as machine learning (ML) models have been extensively applied in data mining applications. Among various approaches, Bayesian optimization (BO) is a successful methodology to tune…
The advent of large scale multi-epoch surveys raises the need for automated light curve (LC) processing. This is particularly true for eclipsing binaries (EBs), which form one of the most populated types of variable objects. The Gaia…
Bayesian optimization (BO) algorithms form a class of surrogate-based heuristics, aimed at efficiently computing high-quality solutions for numerical black-box optimization problems. The BO pipeline is highly modular, with different design…
Bayesian optimization (BO) based on Gaussian process models is a powerful paradigm to optimize black-box functions that are expensive to evaluate. While several BO algorithms provably converge to the global optimum of the unknown function,…
Aberration-corrected Scanning Transmission Electron Microscopy (STEM) has become an essential tool in understanding materials at the atomic scale. However, tuning the aberration corrector to produce a sub-{\AA}ngstr\"om probe is a complex…
Many-objective evolutionary algorithms (MOEAs), especially the decomposition-based MOEAs, have attracted wide attention in recent years. Recent studies show that a well designed combination of the decomposition method and the domination…
Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…
Due to the very narrow beam used in millimeter wave communication (mmWave), beam alignment (BA) is a critical issue. In this work, we investigate the issue of mmWave BA and present a novel beam alignment scheme on the basis of a machine…
We present BAE, a problem-tailored and noise-aware Bayesian algorithm for quantum amplitude estimation. In a fault tolerant scenario, BAE is capable of saturating the Heisenberg limit; if device noise is present, BAE can dynamically…
A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…
Electrochemical Impedance Spectroscopy (EIS) is a powerful tool for electrochemical analysis; however, its data can be challenging to interpret. Here, we introduce a new open-source tool named AutoEIS that assists EIS analysis by…
Making sense of a dataset in an automatic and unsupervised fashion is a challenging problem in statistics and AI. Classical approaches for {exploratory data analysis} are usually not flexible enough to deal with the uncertainty inherent to…
Modern ground-based telescopes rely on a technology called adaptive optics (AO) in order to compensate for the loss of image quality caused by atmospheric turbulence. Next-generation AO systems designed for a wide field of view require a…
Preparing the ground state of a Hamiltonian is a problem of great significance in physics with deep implications in the field of combinatorial optimization. The adiabatic algorithm is known to return the ground state for sufficiently long…
The hybrid particle-field molecular dynamics method is an efficient alternative to standard particle-based coarse grained approaches. In this work, we propose an automated protocol for optimisation of the effective parameters that define…
Modal parameters such as natural frequencies, modal shapes, and the damping ratio are useful to understand structural dynamics of mechanical systems. Modal parameters need to be estimated under operational conditions for use in structural…
We revisit the classical, full-fledged Bayesian model averaging (BMA) paradigm to ensemble pre-trained and/or lightly-finetuned foundation models to enhance the classification performance on image and text data. To make BMA tractable under…
Electron ptychography provides new opportunities to resolve atomic structures with deep sub-angstrom spatial resolution and studying electron-beam sensitive materials with high dose efficiency. In practice, obtaining accurate ptychography…
Over the past 10 years Bayesian methods have rapidly grown more popular as several computationally intensive statistical algorithms have become feasible with increased computer power. In this paper, we begin with a general description of…
Hyperspectral optoacoustic microscopy (OAM) enables obtaining images with label-free biomolecular contrast, offering excellent perspectives as a diagnostic tool to assess freshly excised and unprocessed tissues. However, time-consuming…