Results 51 to 60 of about 2,251,103 (302)

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

open access: yesFEBS Open Bio, Volume 16, Issue 10, Page 1884-1898, October 2026.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill   +4 more
wiley   +1 more source

Approximate Bayesian inference for doubly robust estimation [PDF]

open access: yes, 2015
Doubly robust estimators are typically constructed by combining outcome regression and propensity score models to satisfy moment restrictions that ensure consistent estimation of causal quantities provided at least one of the component models is ...
McCoy, EJ, Graham, DJ, Stephens, DA
core   +1 more source

Stratified Bayesian Optimization [PDF]

open access: yes, 2018
We consider derivative-free black-box global optimization of expensive noisy functions, when most of the randomness in the objective is produced by a few influential scalar random inputs. We present a new Bayesian global optimization algorithm, called Stratified Bayesian Optimization (SBO), which uses this strong dependence to improve performance.
Saul Toscano-Palmerin, Peter I. Frazier
openaire   +2 more sources

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

open access: yesFEBS Open Bio, Volume 16, Issue 10, Page 1899-1910, October 2026.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong   +3 more
wiley   +1 more source

Development of graphical user interface for design of experiments via Gaussian process regression and its case study

open access: yesScience and Technology of Advanced Materials: Methods
Bayesian optimization, coupled with Gaussian process regression and acquisition functions, has proven to be a powerful tool in the field of experimental design.
Yoshiki Hasukawa   +3 more
doaj   +1 more source

Study on structural health monitoring system using deep learning (Verification of effectiveness based on seismic response analysis using elastoplastic model)

open access: yesNihon Kikai Gakkai ronbunshu, 2022
Monitoring structural integrity has been demanded to achieve a sustainable society against disasters, including seismic and extreme wind events, and thus Structural Health Monitoring (SHM) system is one of the significant technologies.
Tsuyoshi FUKASAWA   +2 more
doaj   +1 more source

Bayesian Optimization for Optimizing Retrieval Systems [PDF]

open access: yesProceedings of the Eleventh ACM International Conference on Web Search and Data Mining, 2018
The effectiveness of information retrieval systems heavily depends on a large number of hyperparameters that need to be tuned. Hyperparameters range from the choice of different system components, e.g., stopword lists, stemming methods, or retrieval models, to model parameters, such as k1 and b in BM25, or the number of query expansion terms.
Dan Li 0015, Evangelos Kanoulas
openaire   +2 more sources

Directed evolution of enzymes at the crossroads of tradition and innovation

open access: yesFEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova   +2 more
wiley   +1 more source

A Bayesian optimization approach for reliability-based design of prestressed concrete structures

open access: yesData-Centric Engineering
This paper presents a reliability-constrained Bayesian optimization framework for structural design under uncertainty, addressing challenges in stochastic optimization where the objectives and constraints are defined implicitly by potentially expensive ...
James Whiteley, Jurgen Becque
doaj   +1 more source

HAD-BO: A history-aware dynamic Bayesian optimization strategy and its applications in laser-driven plasma high-harmonic generation [PDF]

open access: yesAIP Advances
An enhanced Bayesian optimization method, named History-Aware Dynamic Bayesian Optimization (HAD-BO), is proposed and applied to optimize the ellipticity in laser-driven plasma surface high-harmonic generation (SHHG).
Ziwei Wang   +4 more
doaj   +1 more source

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