This study evaluates the importance of design of experiments for PINN in physics-informed deep learning.
problem Accuracy of PINN predictions depends on the design of experiment scheme.
method Comparative study of five PDEs using different design of experiment schemes.
result Hammersley sampling-based PINN outperforms other design of experiment schemes.
Design of experiments improves validation of biomolecular networks.
problem Efficiently validate non-machine learning designed biomolecular networks.
method Use Gaussian processes and Bayesian optimization to select experimental points.
result Developed a stopping criterion based on discrepancy metric and uncertainty.
Neural Optimal Design of Experiments improves inverse problem solving efficiency.
problem Optimal experimental design in inverse problems.
method Jointly trains a reconstruction model and design variables in a single loop.
result Significantly reduces computational complexity and improves reconstruction accuracy.
We introduce an application of the group lasso to design of experiments. Note that we are NOT trying to explain experimental design for the group lasso. Conversely, we explain how we can use the idea of the group lasso in experimental design, showing that the problem of constructing an optimal design matrix can be tran…
Adapts MBDOE for real-time parameter estimation in complex systems.
problem Costly posterior inference and design optimization in nonlinear systems.
method Combines DAD with differentiable mechanistic models for real-time parameter estimation.
result Demonstrated on four systems, including a DC motor.
Green LIME reduces LIME's computational cost through optimal design of experiments.
problem Improving AI explainability in critical fields like healthcare.
method Optimal design of experiments to reduce LIME's computational cost.
result Significant reduction in computational effort of LIME.
A method to select validation data from a dataset using statistical criteria.
problem Selecting a validation basis from a full dataset for machine learning model validation.
method Adopting a 'design of experiments' point of view and using statistical criteria, particularly Maximum Mean Discrepancy criteria.
result The 'support points' concept is particularly relevant for selecting validation data.
Do-AIQ framework evaluates AI algorithms' quality using DOE.
problem Quality evaluation of AI mislabel detection algorithms.
method Design-of-experiment approach with high-dimensional constraint space design and surrogate modeling.
result Established framework for evaluating AI algorithm quality robustly.
Bayesian SDOE method estimates QoIs from expensive black-box functions efficiently.
problem Estimating non-linear QoIs from expensive, unknown functions.
method Sequential design of experiments using Bayesian surrogate models and information gain.
result Method efficiently estimates QoIs with limited function evaluations.
We design a new myopic strategy for a wide class of sequential design of experiment (DOE) problems, where the goal is to collect data in order to to fulfil a certain problem specific goal. Our approach, Myopic Posterior Sampling (MPS), is inspired by the classical posterior (Thompson) sampling algorithm for multi-armed…
Algorithm improves reinforcement learning policies using offline data.
problem Improving reinforcement learning policies with limited online data.
method Designs a single non-reactive policy using offline data with provable guarantees.
result Algorithm achieves better policy quality with less online data.
Healthcare companies must submit pharmaceutical drugs or medical devices to regulatory bodies before marketing new technology. Regulatory bodies frequently require transparent and interpretable computational modelling to justify a new healthcare technology, but researchers may have several competing models for a biolog…
BoFire optimizes chemistry experiments using Bayesian Optimization.
problem Effective deployment of Bayesian Optimization in the chemical industry.
method Combines Bayesian Optimization with DoE strategies, providing a rich feature-set.
result BoFire enables seamless integration into RESTful APIs for real-world use.
Model discrimination identifies a mathematical model that usefully explains and predicts a given system's behaviour. Researchers will often have several models, i.e. hypotheses, about an underlying system mechanism, but insufficient experimental data to discriminate between the models, i.e. discard inaccurate models. G…
Optimizes biomanufacturing processes with a new digital twin calibration method.
problem Lack of interpretability and sample efficiency in traditional DoE methods.
method Developed a computational approach to calibrate Bio-SoS digital twin model.
result Guides sample-efficient and interpretable DoEs by quantifying sub-model parameter estimation errors.
Unsupervised machine learning helps design complex experiments more efficiently.
problem Designing experiments with many factors and constraints is challenging and costly.
method Applied a beta variational autoencoder (beta-VAE) to represent trials in a low-dimensional latent space.
result Generated pragmatic designs with fewer trials while maintaining objectives.
In engineering applications almost all processes are described with the help of models. Especially forming machines heavily rely on mathematical models for control and condition monitoring. Inaccuracies during the modeling, manufacturing and assembly of these machines induce model uncertainty which impairs the controll…
New method designs experiments robustly for nonlinear estimation, improving parameter knowledge.
problem Designing robust experiments for nonlinear estimation under parametric uncertainty.
method Multi-stage robust optimization framework for sequential experiments.
result Identifies experiments better conducted early for improved parameter knowledge.
The paper investigates AI robustness through experiments and statistical analysis.
problem Inaccurate AI predictions can lead to safety and adoption issues.
method Design of experiments framework to study AI classification robustness.
result AI algorithms' robustness is influenced by various factors.
Bayesian design improves experimental optimization.
problem Computational challenges limit BED practical use.
method Recent advances in BED have reduced computational burdens.
result Effective BED design is now feasible.
We consider the problem of estimating the set of all inputs that leads a system to some particular behavior. The system is modeled by an expensive-to-evaluate function, such as a computer experiment, and we are interested in its excursion set, i.e. the set of points where the function takes values above or below some p…
Bayesian optimal design of experiments (BODE) has been successful in acquiring information about a quantity of interest (QoI) which depends on a black-box function. BODE is characterized by sequentially querying the function at specific designs selected by an infill-sampling criterion. However, most current BODE method…
Simulation and neural network analysis predict fiber laydown in spunbond processes.
problem Predicting fiber laydown quality in spunbond processes.
method Design of experiments, blocked neural network analysis.
result Prediction of fiber laydown characteristics and ranking of influencing effects.
Optimizes sampling in continuous domains by adjusting search distribution.
problem Improving sampling efficiency in continuous domains.
method Analyzes and refines the search distribution based on population size and dimension.
result Explicit values for reshaping the search distribution are provided.
We investigate two new strategies for the numerical solution of optimal stopping problems within the Regression Monte Carlo (RMC) framework of Longstaff and Schwartz. First, we propose the use of stochastic kriging (Gaussian process) meta-models for fitting the continuation value. Kriging offers a flexible, nonparametr…
This work uses RL to optimize batch experiments in SDOE.
problem Maximizing knowledge with limited resources and constraints.
method Reinforcement Learning for batch-sampling in Bayesian SDOE.
result The proposed algorithm optimizes experiment selection for multiple tasks.
Characterizing the appearance of real-world surfaces is a fundamental problem in multidimensional reflectometry, computer vision and computer graphics. For many applications, appearance is sufficiently well characterized by the bidirectional reflectance distribution function (BRDF). We treat BRDF measurements as sample…
Designs a single policy for collecting data to train near-optimal policies.
problem Engineering overhead in deploying minimax procedures for stochastic linear contextual bandits.
method Designs a single stochastic policy to collect data from which a near-optimal policy can be extracted.
result The designed policy can collect data from which a near-optimal policy can be extracted.
Proposes a method to generate multivariate prediction intervals for random forests.
problem Uncertainty estimates for iterative design of experiments with multiple correlated model outputs.
method Recalibrated bootstrap method for bagged models.
result Significantly decreases the number of iterations required for satisfactory candidate in sequential learning problems.
Study efficient resource allocation for detecting extreme values.
problem Efficiently allocate limited resources to detect extreme values in various fields.
method Proposes ExtremeHunter algorithm for sequential resource allocation under limited feedback.
result Demonstrates ExtremeHunter outperforms oracle policy in detecting extreme values.
Paper proposes online learning for estimating AC network admittance matrix.
problem Missing or outdated information on power grid topology and parameters.
method Recursive identification algorithm using phasor measurements, enhanced with DOE for optimal data excitation.
result Improves on existing techniques and substantiated by numerical studies.
Regression models are increasingly built using datasets which do not follow a design of experiment. Instead, the data is e.g. gathered by an automated monitoring of a technical system. As a consequence, already the input data represents phenomena of the system and violates statistical assumptions of distributions. The …
This article reviews and explains HMC-based methods for sampling constrained continuous distributions.
problem Sampling from continuous distributions with constraints.
method HMC and related methods for constrained sampling.
result HMC and related methods are more efficient for constrained sampling.
We propose a Bayesian optimization algorithm for objective functions that are sums or integrals of expensive-to-evaluate functions, allowing noisy evaluations. These objective functions arise in multi-task Bayesian optimization for tuning machine learning hyperparameters, optimization via simulation, and sequential des…
Predicts optimal training dataset sizes per class for machine learning models.
problem Optimizing training dataset sizes for class-specific machine learning models.
method Algorithm based on space-filling design of experiments, models like powerlaw curves and generalized linear models.
result The algorithm predicts optimal training dataset sizes per class for improved model performance.
New algorithm selects optimal subset for multiclass classifier training.
problem Selecting optimal subset of labeled examples for multiclass classifier training.
method Regret minimization framework with new regularization scheme.
result New method consistently outperforms state-of-the-art approaches.
We consider the problem of how to assign treatment in a randomized experiment, in which the correlation among the outcomes is informed by a network available pre-intervention. Working within the potential outcome causal framework, we develop a class of models that posit such a correlation structure among the outcomes. …
Paper uses transfer learning and Bayesian optimization to reduce DNA sequence design experiments.
problem Designing many similar DNA sequences for specific applications is expensive and time-consuming.
method Combines transfer learning with Bayesian optimization to reduce experiment count.
result Total number of experiments can be significantly reduced by sharing information between tasks.
The study examines how experimental design choices affect machine learning model performance.
problem Lack of guidelines on choosing experimental designs and machine learning models.
method 12 experimental designs, 7 families of predictive models, 7 test functions, 8 noise settings.
result Guidelines for practical applications of DOE and ML are provided.
Multi-fidelity Gaussian process is a common approach to address the extensive computationally demanding algorithms such as optimization, calibration and uncertainty quantification. Adaptive sampling for multi-fidelity Gaussian process is a changing task due to the fact that not only we seek to estimate the next samplin…
New algorithms speed up learning from large screens of proteins.
problem Lack of scaled data hampers biological machine learning.
method Optimized high throughput screens and generative models.
result Maximized information gain with consistent estimates of p(y∣x). Unified Skew-Gaussian process framework for various regression and classification tasks.
problem Handling multiple types of regression and classification problems.
method Generalization of Skew-Gaussian processes to handle various types of data and likelihoods.
result Closed-form posterior distributions for multiple tasks.
Study designs experiments to identify causal graph structure with cycles and latent confounders.
problem Identify causal graph structure with cycles and latent confounders.
method Established lower bounds, developed CI and do see tests algorithms, and proved tightness.
result Proposed algorithms can recover all causal edges except for double adjacent bidirected edges.
Bayesian optimization speeds up bioprocess development across scales.
problem Costly and complex bioprocess development across scales and biocatalyst selection.
method Multi-fidelity batch Bayesian optimization framework integrating Gaussian Processes and mixed-variable optimization.
result Reduction in experimental costs and increased yield in bioprocess optimization.
In this article, we consider a stochastic numerical simulator to assess the impact of some factors on a phenomenon. The simulator is seen as a black box with inputs and outputs. The quality of a simulation, hereafter referred to as fidelity, is assumed to be tunable by means of an additional input of the simulator (e.g…
Bayesian DOE accelerates experimental design with improved efficiency.
problem Enhancing experimental design efficiency and reliability.
method Bayesian framework, conditional density estimation, informative data selection.
result Significantly improved computational efficiency of experimental design.
CRPS improves GP-based sequential design for chemical space.
problem Finding molecules with specific properties in synthetic chemistry.
method Threshold-weighted CRPS as acquisition function for GP models in sequential design.
result Improved performance in molecule research with CRPS-based strategies.
The inverse statistical problem of finding direct interactions in complex networks is difficult. In the natural sciences, well-controlled perturbation experiments are widely used to probe the structure of complex networks. However, our understanding of how and why perturbations aid inference remains heuristic, and we l…