A new RL method helps designers solve complex tasks.
problem Design process gap between problem and solution.
method Deep Reinforcement Learning (RL) for task-oriented design.
result Method achieves satisfactory design even with multiple goals.
Novel Hilbert space Gaussian process improves sequential design accuracy and efficiency.
problem Efficiently implementing Gaussian process acquisition functions for expensive simulations.
method Proposed a truncated eigenbasis representation for closed-form evaluation of IMSE acquisition function.
result Significantly lower prediction error and reduced computation time compared to benchmarks.
Advanced kernels improve Gaussian process accuracy by incorporating domain knowledge.
problem Improving function approximation accuracy in Gaussian processes.
method Advanced kernel designs that enforce specific function properties (symmetry, periodicity) and non-stationarity.
result Advanced kernels significantly enhance function approximation accuracy and relevance.
AI learns to design chemical processes efficiently.
problem Designing efficient chemical processes.
method Hierarchical reinforcement learning and graph neural networks.
result Quick learning in various decision spaces.
Adaptive calibration improves model accuracy with fewer simulations.
problem Inefficient calibration of complex models using fixed designs.
method Bayesian adaptive experimental design to optimize simulation runs.
result The method achieves better parameter estimation with fewer simulations.
AIDA designs personalized audio processing algorithms for hearing aids.
problem Improving hearing aid performance based on user feedback.
method Active inference-based agent with Bayesian trial design.
result AIDA proposes optimal alternative values for hearing aid parameters.
Adaptive batching improves Gaussian process surrogates for noisy level set estimation.
problem Learning the level set of noisy simulator responses.
method Developed four novel adaptive batching schemes for Gaussian process metamodels.
result Adaptive batching brings significant computational speed-ups with minimal loss of modeling fidelity.
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.
ML predicts alloy properties considering chemistry, processing, and data transformations.
problem Designing and predicting alloy properties in high-dimensional design space.
method Physics-informed machine learning with engineered features from chemistry and heat treatment.
result ML models accurately predict alloy properties, including hysteresis in shape memory alloys.
Bayesian Optimization framework tackles materials design challenges with mixed variables.
problem Challenges in materials design due to mixed qualitative and quantitative variables, limited data, and high simulation costs.
method Data-centric, mixed-variable Bayesian Optimization framework using Latent Variable Gaussian Process (LVGP) and Expected Improvement acquisition function.
result Locates optimal design for insulating polymer nanocomposites efficiently.
Calibrating materials to engineering targets improves wind turbine design.
problem Separate material and mechanical design processes lead to uncertainty.
method Repurpose calibration techniques to integrate material and mechanical design.
result Materials can be designed with specific engineering targets in mind.
The paper optimizes designs for distinguishing between Gaussian process models.
problem Discriminating between two Gaussian process models.
method Sequential and static design criteria, including Kullback Leibler divergences and log-likelihood ratios.
result Necessary conditions for optimal design measures are provided.
We present an adaptive approach to the construction of Gaussian process surrogates for Bayesian inference with expensive-to-evaluate forward models. Our method relies on the fully Bayesian approach to training Gaussian process models and utilizes the expected improvement idea from Bayesian global optimization. We adapt…
Improves Bayesian optimisation for engineering design problems with many variables.
problem Efficiently searching for global minima in high-dimensional design spaces.
method Integrates input and output data to identify a reduced latent subspace using probabilistic partial least squares.
result Significant improvements in convergence to the global minimum compared to existing methods.
Bayesian optimization reduces hyperparameters for mixed variable design problems.
problem Optimizing designs with a large number of mixed continuous, integer, and categorical variables.
method Adaptive dimension reduction using partial least squares for fewer hyperparameters.
result Significant improvement in performance compared to genetic algorithms.
Develops active learning for Jump Gaussian Process models.
problem Optimizing experimental designs and steering data acquisition in complex systems.
method Active learning of piecewise Jump Gaussian Process (Jump GP) models, accounting for model bias.
result Demonstrates the importance of accounting for model bias in Jump GP models.
Shared Keyboard design improves phase I clinical trials by borrowing information across doses.
problem Interim decisions based on current dose data may overlook signals from neighboring doses.
method Bayesian model-assisted design using Beta kernel process with kernel-weighted pseudo-counts.
result Significant improvements in identifying maximum tolerated dose and safety.
Bayesian nonparametric discontinuity design improves causal inference without randomization.
problem Causal inference in non-randomized settings with additional assumptions.
method Bayesian model comparison and Gaussian process regression.
result BNDD can detect discontinuities of any order and spectral features.
Two methods improve Gaussian process predictive distributions' calibration.
problem Improving the reliability of Gaussian process predictive intervals.
method Introduces two methods: cps-gp and bcr-gp, both adapting conformal predictive systems to GP interpolation.
result Both methods provide finite-sample marginal calibration and smooth predictive distributions.
The chapter compares Gaussian process models for stochastic simulators with varying noise.
problem Modeling stochastic simulators with varying noise.
method Various Gaussian process models are compared, including input varying noise variance, non-Gaussian noise, and quantile modeling.
result Sequential design procedures are adapted for these models.
New method enhances hotspot prediction in IC designs.
problem Design hotspots vary between designs and are hard to predict.
method Synthetic pattern generation based on DOEs.
result Significantly reduces false alarms in hotspot prediction.
We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during materials design and discovery to find good material designs in as few experiments as p…
TAD efficiently finds optimal settings for advanced manufacturing.
problem Optimizing high-dimensional process control parameters for optimal design features.
method TAD uses Gaussian process surrogate models and optimizes log-predictive likelihood to find optimal settings.
result TAD efficiently locates optimal settings with quantified uncertainty.
Optimized biopharmaceutical seed train design reduces variability and saves time.
problem Designing robust biotechnological processes with cell cultures.
method Coupling uncertainty-based upstream simulation and Bayes optimization using Gaussian processes.
result Optimized seed train design results in lower cell density variability and reduced process duration.
The paper extends consistency results for sequential design strategies to vector-valued Gaussian processes.
problem Estimating excursion sets of vector-valued Gaussian processes.
method Clarifying the connection between continuous Gaussian processes and Gaussian measures in Banach spaces, extending concepts and properties from scalar-valued settings to vector-valued settings.
result Consistency results for sequential design strategies can be applied to vector-valued Gaussian processes.
Reinforcement learning improves game level design.
problem Creating high-quality game levels with limited examples.
method Transforming level design into a Markov decision process and training with reinforcement learning.
result Trained reinforcement learning agents can generate high-quality levels quickly.
MFRL-BI controls manufacturing processes without needing accurate models.
problem Model inaccuracies in complex manufacturing systems.
method Model-free reinforcement learning with Bayesian inference.
result Demonstrated to perform well in a nonlinear CMP process.
New deep learning method simplifies parameter estimation design.
problem Optimal experimental design for parameter estimation with non-linear systems.
method Training a deep network as a Likelihood Free Estimator to simplify design process.
result Deep design improves parameter recovery quality and simplifies design process.
We use deep reinforcement learning to optimize experimental designs efficiently.
problem Optimizing sequential experimental designs with limited exploration and black-box models.
method Reduced the optimal design problem to an MDP and solved it with deep reinforcement learning.
result Our approach achieves state-of-the-art performance on both continuous and discrete design spaces.
PoPPy is a Point Process toolbox based on PyTorch, which achieves flexible designing and efficient learning of point process models. It can be used for interpretable sequential data modeling and analysis, e.g., Granger causality analysis of multi-variate point processes, point process-based simulation and prediction of…
The paper examines Gaussian process means under misspecified likelihoods and smoothness.
problem Accuracy of Gaussian process approximations under misspecified smoothness and likelihood.
method Analysis of Gaussian process properties under misspecified conditions.
result The accuracy of Gaussian process approximations is influenced by experimental design and kernel choice.
This work improves adaptive sampling for multi-fidelity Gaussian processes by considering cost and uncertainty.
problem Adaptive sampling for multi-fidelity Gaussian processes is computationally demanding and complex.
method The authors extend the design of experiment framework by partitioning prediction uncertainty based on fidelity level and cost, and utilize the Believer concept.
result The proposed framework effectively reduces predictive uncertainty in multi-fidelity Gaussian processes.
New method integrates latent variables for Bayesian Optimization of materials with both qualitative and quantitative factors.
problem Bayesian Optimization for materials design with mixed qualitative and quantitative variables.
method Integrates latent variables for mixed-variable Gaussian process modeling within the Bayesian Optimization framework.
result LVGP provides superior modeling accuracy compared to existing methods for mixed-variable problems.
This study shows how DDPM can be represented by the OU process.
problem Designing optimal noise schedules for DDPM.
method Formal equivalence between DDPM and OU process, heuristic designs based on Fisher Information.
result Fisher-Information-motivated schedule corresponds to cosine noise schedule.
Software automates metabolomics data analysis for reproducible results.
problem Automating reproducible metabolomics data analysis.
method Object-oriented software engineering, Java, XML database, GUI, version control system.
result MeKDDaM-SAGA successfully guides metabolomics applications.
Designers of AI agents often iterate on the reward function in a trial-and-error process until they get the desired behavior, but this only guarantees good behavior in the training environment. We propose structuring this process as a series of queries asking the user to compare between different reward functions. Thus…
Parallel Gaussian process surrogate for noisy likelihood evaluations in Bayesian inference.
problem Bayesian inference with limited noisy log-likelihood evaluations from complex models.
method Hierarchical Gaussian process surrogate model for log-likelihood, batch-sequential design strategies.
result Robust, highly parallelizable, and sample-efficient method.
Automates building structural design with reduced mass and carbon footprint.
problem Time-consuming and laborious manual design process for buildings.
method Formulated building structures as graphs, trained end-to-end pipeline with a differentiable simulator.
result Optimal structural designs comparable to GA, with reduced building mass and carbon footprint.
This communication is based on an original approach linking economical factors to technical and methodological ones. This work is applied to the decision process for mix production. This approach is relevant for costing driving systems. The main interesting point is that the quotation factors (linked to time indicators…
Automates translating natural language to Verilog for digital design.
problem Manual translation of natural language specifications to Verilog is time-consuming and error-prone.
method Fine-tuned GPT-2 to derive Verilog from English, using a dataset of design tasks.
result GPT-2 achieved 94.8% correct translation across simple and abstract design tasks.
MCD automates counterfactual design searches for multi-modal tasks.
problem Designing for multi-objective goals and complex constraints.
method Model-agnostic counterfactual search method for multi-modal design modifications.
result MCD streamlines and automates counterfactual search, recommending effective design modifications.
New method for mixed-variable GSA improves material design efficiency.
problem Designing materials with both quantitative and qualitative variables.
method Integrates LVGP with Sobol' analysis for mixed-variable GSA.
result Accelerates exploration of novel MOF candidates in combinatorial design spaces.
New game design method for better trait inference.
problem Inferring latent psychological traits from human behavior.
method Formulated as a mutual information maximization problem, solved using variational lower bound optimization.
result Designed games successfully distinguish among players with different traits, outperforming traditional methods.
New algorithms improve experimental design efficiency and approximation quality.
problem Finding optimal subset of vectors for expensive measurements.
method Bayesian experimental design using determinantal point processes.
result Developed efficient algorithms for optimal design under multiple criteria.
A new framework designs experiments for better decision-making.
problem Suboptimal experimental designs for downstream decision-making.
method Amortized decision-aware Bayesian Experimental Design (BED) with Transformer Neural Decision Process (TNDP).
result TNDP effectively designs experiments and facilitates accurate decision-making.
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.
This paper reviews Gaussian process-based multi-fidelity techniques for different fidelity relationships.
problem Combining accurate and cheap models for complex system design.
method Gaussian process-based multi-fidelity modeling techniques for varying fidelity relationships.
result Comparison of techniques on analytical and aerospace engineering problems.
This study proposes an efficient surrogate for Darcy flow inverse problems.
problem Efficiently constructing accurate surrogate models for high-dimensional complex inverse problems.
method Sequential Bayesian design strategy to acquire a locally accurate surrogate model focusing on high-probability regions.
result The proposed method accelerates inversion accuracy and computational speed.