A systematic approach to mass-production of graphene and other 2D materials is essential for current and future technological applications. By combining a sequential statistical design of experiments with in-situ process monitoring, we demonstrate a method to optimize graphene growth on copper foil in a roll-to-roll rf plasma chemical vapor deposition system. Data-driven predictive models show that gas pressure, nitrogen, oxygen, and plasma power are the main process parameters affecting the quality of graphene. Furthermore, results from in-situ optical emission spectroscopy reveal a positive correlation of CH radical to high quality of graphene, whereas O and H atoms, Ar+ ion, and C2 and CN radicals negatively correlate to quality. This work demonstrates the deposition of graphene on copper foil at 1 m/min, a scale suitable for large-scale production. The techniques described here can be extended to other 2D materials and roll-to-roll manufacturing processes.

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 methods operate in specific contexts like optimization, or learning a universal representation of the black-box function. The objective of this paper is to design a BODE for estimating the statistical expectation of a physical response surface. This QoI is omnipresent in uncertainty propagation and design under uncertainty problems. Our hypothesis is that an optimal BODE should be maximizing the expected information gain in the QoI. We represent the information gain from a hypothetical experiment as the Kullback-Liebler (KL) divergence between the prior and the posterior probability distributions of the QoI. The prior distribution of the QoI is conditioned on the observed data and the posterior distribution of the QoI is conditioned on the observed data and a hypothetical experiment. The main contribution of this paper is the derivation of a semi-analytic mathematical formula for the expected information gain about the statistical expectation of a physical response. The developed BODE is validated on synthetic functions with varying number of input-dimensions. We demonstrate the performance of the methodology on a steel wire manufacturing problem.

Industrial applications frequently pose a notorious challenge for state-of-the-art methods in the contexts of optimization, designing experiments and modeling unknown physical response. This problem is aggravated by limited availability of clean data, uncertainty in available physics-based models and additional logistic and computational expense associated with experiments. In such a scenario, Bayesian methods have played an impactful role in alleviating the aforementioned obstacles by quantifying uncertainty of different types under limited resources. These methods, usually deployed as a framework, allows decision makers to make informed choices under uncertainty while being able to incorporate information on the fly, usually in the form of data, from multiple sources while being consistent with the physical intuition about the problem. This is a major advantage that Bayesian methods bring to fruition especially in the industrial context. This paper is a compendium of the Bayesian modeling methodology that is being consistently developed at GE Research. The methodology, called GE's Bayesian hybrid modeling (GEBHM), is a probabilistic modeling method, based on the Kennedy and O'Hagan framework, that has been continuously scaled-up and industrialized over several years. In this work, we explain the various advancements in GEBHM's methods and demonstrate their impact on several challenging industrial problems.

Design optimization under uncertainty is notoriously difficult when the objective function is expensive to evaluate. State-of-the-art techniques, e.g, stochastic optimization or sampling average approximation, fail to learn exploitable patterns from collected data and require an excessive number of objective function evaluations. There is a need for techniques that alleviate the high cost of information acquisition and select sequential simulations optimally. In the field of deterministic single-objective unconstrained global optimization, the Bayesian global optimization (BGO) approach has been relatively successful in addressing the information acquisition problem. BGO builds a probabilistic surrogate of the expensive objective function and uses it to define an information acquisition function (IAF) whose role is to quantify the merit of making new objective evaluations. Specifically, BGO iterates between making the observations with the largest expected IAF and rebuilding the probabilistic surrogate, until a convergence criterion is met. In this work, we extend the expected improvement (EI) IAF to the case of design optimization under uncertainty wherein the EI policy is reformulated to filter out parametric and measurement uncertainties. To increase the robustness of our approach in the low sample regime, we employ a fully Bayesian interpretation of Gaussian processes by constructing a particle approximation of the posterior of its hyperparameters using adaptive Markov chain Monte Carlo. We verify and validate our approach by solving two synthetic optimization problems under uncertainty and demonstrate it by solving the oil-well-placement problem with uncertainties in the permeability field and the oil price time series.

Design optimization of engineering systems with multiple competing objectives is a painstakingly tedious process especially when the objective functions are expensiveto-evaluate computer codes with parametric uncertainties. The effectiveness of the state-of-the-art techniques is greatly diminished because they require a large number of objective evaluations, which makes them impractical for problems of the above kind. Bayesian global optimization (BGO), has managed to deal with these challenges in solving single-objective optimization problems and has recently been extended to multi-objective optimization (MOO). BGO models the objectives via probabilistic surrogates and uses the epistemic uncertainty to define an information acquisition function (IAF) that quantifies the merit of evaluating the objective at new designs. This iterative data acquisition process continues until a stopping criterion is met. The most commonly used IAF for MOO is the expected improvement over the dominated hypervolume (EIHV) which in its original form is unable to deal with parametric uncertainties or measurement noise. In this work, we provide a systematic reformulation of EIHV to deal with stochastic MOO problems. The primary contribution of this paper lies in being able to filter out the noise and reformulate the EIHV without having to observe or estimate the stochastic parameters. An addendum of the probabilistic nature of our methodology is that it enables us to characterize our confidence about the predicted Pareto front. We verify and validate the proposed methodology by applying it to synthetic test problems with known solutions. We demonstrate our approach on an industrial problem of die pass design for a steel wire drawing process.

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