26 papers · ranked by Valyu relevance
Peter I. Frazier
Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and…
Javier Garcia-Barcos, Ruben Martinez-Cantin, Eduardo C. Garrido-Merchán
'Eduardo C. Garrido-Merchán'] Optimizing complex systems usually involves costly and time-consuming experiments, where selecting the experiments to perform is fundamental. Bayesian optimization (BO) has proved to be a suitable optimization method in these situations thanks to its sample efficiency and principled way of…
Ekaterina Noskova, Viacheslav Borovitskiy
Inference of demographic histories of species and populations is one of the central problems in population genetics. It is usually stated as an optimization problem: find a model’s parameters that maximize a certain log-likelihood. This log-likelihood is often expensive to evaluate in terms of time and hardware…
Sebastian Blume, Tim Benedens, Dieter Schramm, Soufiene Djahel
Software sensors are playing an increasingly important role in current vehicle development. Such soft sensors can be based on both physical modeling and data-based modeling. Data-driven modeling is based on building a model purely on captured data which means that no system knowledge is required for the application. At…
Burcu Küçükoğlu, Leili Soo, David Leeftink, Fabrizio Grani + 4 more
The challenge in cortical neuroprosthetic vision is determining the optimal, safe stimulation patterns for the visual cortex in order to evoke the desired perception in blind individuals—specifically, light perceptions known as phosphenes. Currently, clinical studies gain insights into the perceptual characteristics of…
Miguel Marcos, Lorenzo Mur-Labadia, Ruben Martinez-Cantin, Tara Rajendran
Generative deep learning models, such as those used for music generation, can produce a wide variety of results based on perturbations of random points in their latent space. User preferences can be incorporated in the generative process by replacing this random sampling with a personalized query. Bayesian…
Antoine Blanchard, Themistoklis P. Sapsis
In Bayesian optimization, accounting for the importance of the output relative to the input is a crucial yet challenging exercise, as it can considerably improve the final result but often involves inaccurate and cumbersome entropy estimations. We approach the problem from the perspective of importance-sampling theory…
Roi Naveiro, Becky Tang
Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates, which is in turn used to inform the selection of future evaluation points…
Abhilash Nandy, Chandan Kumar‐Sinha, Deepak Mewada, Soumya Sharma
In this report we survey Bayesian Optimization methods focussed on Multi-Armed Bandit Problem. We take the help of the paper "Portfolio Allocation for Bayesian Optimization" [1]. We report a small literature survey on the acquisition functions and the types of portfolio strategies used in the papers [1] [2]. We also…
Ryo Tamura, Koji Hukushima, Nuno Araujo
An efficient method for finding a better maximizer of computationally extensive probability distributions is proposed on the basis of a Bayesian optimization technique. A key idea of the proposed method is to use extreme values of acquisition functions by Gaussian processes for the next training phase, which should be…
Florian Gisperg, Robert Klausser, Mohamed Elshazly, Julian Kopp + 2 more
'Eva Přáda Brichtová' 'Oliver Spadiut'] Title: ABSTRACT Bayesian optimization is a stochastic, global black-box optimization algorithm. By combining Machine Learning with decision-making, the algorithm can optimally utilize information gained during experimentation to plan further experiments-while balancing…
Lucian Chan, Geoffrey Hutchison, Garrett Morris
Generating low-energy molecular conformers is a key task for many areas of computational chemistry, molecular modeling and cheminformatics. Most current conformer generation methods primarily focus on generating geometrically diverse conformers rather than finding the most probable or energetically lowest minima. Here…
Lucian Chan, Geoffrey Hutchison, Garrett Morris
Generating low-energy molecular conformers is a key task for many areas of computational chemistry, molecular modeling and cheminformatics. Most current conformer generation methods primarily focus on generating geometrically diverse conformers rather than finding the most probable or energetically lowest minima. Here…
Vicent Girbés-Juan, Joaquín Moll, Antonio Sala, Leopoldo Armesto + 1 more
'Ka-Veng Yuen'] In this paper, a procedure for experimental optimization under safety constraints, to be denoted as constraint-aware Bayesian Optimization, is presented. The basic ingredients are a performance objective function and a constraint function; both of them will be modeled as Gaussian processes. We…
Daniel Kelvin, Erik Kubaczka, Heinz Koeppl, Beatrix Suess
The design of large genetic circuits requires genetic regulatory devices capable of performing complex logic operations. Hybrid riboswitches, synthetically enhanced compact RNA elements (<100 nucleotides) that form a tertiary structure with the ability to specifically bind two different target molecules, can be used to…
Ashish Anil Pawar, Ujwal Warbhe
Bayesian Optimization is an effective method for searching the global maxima of an objective function especially if the function is unknown. The process comprises of using a surrogate function and choosing an acquisition function followed by optimizing the acquisition function to find the next sampling point. This…
Pushparaja Murugan
Convolutional Neural Network is known as ConvNet have been extensively used in many complex machine learning tasks. However, hyperparameters optimization is one of a crucial step in developing ConvNet architectures, since the accuracy and performance are totally reliant on the hyperparameters. This multilayered…
Sterling Baird, Jason R. Hall, Taylor D. Sparks
Would you rather search for a line inside a cube or a point inside a square? This type of solution degeneracy often exists in physics-based simulations and wet-lab experiments, but constraining these degeneracies is often unsupported or difficult to implement in many optimization packages, requiring additional time and…
Shrooq Alsenan, Isra Al-Turaiki, Mashael Aldayel, Mohamed Tounsi + 1 more
'Yijie Ding'] RNA-binding proteins (RBPs) play an important role in regulating biological processes, such as gene regulation. Understanding their behaviors, for example, their binding site, can be helpful in understanding RBP-related diseases. Studies have focused on predicting RNA binding by means of machine learning…
Romy Lorenz, Laura E. Simmons, Ricardo P. Monti, Joy L. Arthur + 4 more
Transcranial alternating current stimulation (tACS) can evoke illusory flash-like visual percepts known as phosphenes. The perception of phosphenes represents a major experimental challenge when studying tACS-induced effects on cognitive performance. Besides growing concerns that retinal phosphenes themselves could…
Yifan Wu, Aron Walsh, Alex Ganose
What is the minimum number of experiments, or calculations, required to find an optimal solution? Relevant chemical problems range from identifying a compound with target functionality within a given phase space to controlling materials synthesis and device fabrication conditions. A common feature in this application…
Sterling Baird, Jason R. Hall, Taylor D. Sparks
Would you rather search for a line inside a cube or a point inside a square? Physics-based simulations and wet-lab experiments often have symmetries (degeneracies) that allow reducing problem dimensionality or search space, but constraining these degeneracies is often unsupported or difficult to implement in many…
Tony Wu, Daniel Flam-Shepherd, Alán Aspuru–Guzik
This paper focuses on Bayesian Optimization in combinatorial spaces. In many applications in the natural science. Broad applications include the study of molecules, proteins, DNA, device structures and quantum circuit designs, a on optimization over combinatorial categorical spaces is needed to find optimal or…
Sina Dabiri, Eric R. Cole, Robert E. Gross
Brain stimulation has become an important treatment option for a variety of neurological and psychiatric diseases. A key challenge in improving brain stimulation is selecting the optimal set of stimulation parameters for each patient, as parameter spaces are too large for brute-force search and their induced effects…
Eric Schulz, Maarten Speekenbrink, Andreas Krause
This tutorial introduces the reader to Gaussian process regression as a tool to model, actively explore and exploit unknown functions. Gaussian process regression is a powerful, non-parametric Bayesian approach towards regression problems that can be utilized in exploration and exploitation scenarios. This tutorial…
Amala Mary Vincent, P. Jidesh
For any machine learning model, finding the optimal hyperparameter setting has a direct and significant impact on the model’s performance. In this paper, we discuss different types of hyperparameter optimization techniques. We compare the performance of some of the hyperparameter optimization techniques on image…