Efficient Yield Optimization for Analog and SRAM Circuits via Gaussian Process Regression and Adaptive Yield Estimation

2018 ◽  
Vol 37 (10) ◽  
pp. 1929-1942 ◽  
Author(s):  
Mengshuo Wang ◽  
Wenlong Lv ◽  
Fan Yang ◽  
Changhao Yan ◽  
Wei Cai ◽  
...  
Keyword(s):  
Gaussian Process ◽  
Gaussian Process Regression ◽  
Yield Estimation ◽  
Yield Optimization

scholarly journals A blackbox yield estimation workflow with Gaussian process regression applied to the design of electromagnetic devices

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Mona Fuhrländer ◽  
Sebastian Schöps
Keyword(s):  
Gaussian Process ◽  
Surrogate Model ◽  
Hybrid Approach ◽  
Gaussian Process Regression ◽  
Benchmark Problems ◽  
Yield Estimation ◽  
Electromagnetic Devices ◽  
Main Challenge ◽  
Sample Points ◽  
Stochastic Yield

Abstract In this paper an efficient and reliable method for stochastic yield estimation is presented. Since one main challenge of uncertainty quantification is the computational feasibility, we propose a hybrid approach where most of the Monte Carlo sample points are evaluated with a surrogate model, and only a few sample points are reevaluated with the original high fidelity model. Gaussian process regression is a non-intrusive method which is used to build the surrogate model. Without many prerequisites, this gives us not only an approximation of the function value, but also an error indicator that we can use to decide whether a sample point should be reevaluated or not. For two benchmark problems, a dielectrical waveguide and a lowpass filter, the proposed methods outperform classic approaches.

scholarly journals Yield Optimization using Hybrid Gaussian Process Regression and a Genetic Multi-Objective Approach

2021 ◽  
Vol 19 ◽  
pp. 41-48
Author(s):  
Mona Fuhrländer ◽  
Sebastian Schöps
Keyword(s):  
Gaussian Process ◽  
Hybrid Approach ◽  
Gaussian Process Regression ◽  
Monte Carlo Analysis ◽  
Computational Effort ◽  
Benchmark Problem ◽  
Yield Optimization ◽  
Multi Objective ◽  
Electromagnetic Devices ◽  
The Impact

Abstract. Quantification and minimization of uncertainty is an important task in the design of electromagnetic devices, which comes with high computational effort. We propose a hybrid approach combining the reliability and accuracy of a Monte Carlo analysis with the efficiency of a surrogate model based on Gaussian Process Regression. We present two optimization approaches. An adaptive Newton-MC to reduce the impact of uncertainty and a genetic multi-objective approach to optimize performance and robustness at the same time. For a dielectrical waveguide, used as a benchmark problem, the proposed methods outperform classic approaches.

Exchange Spin Coupling from Gaussian Process Regression

2020 ◽  
Author(s):  
Marc Philipp Bahlke ◽  
Natnael Mogos ◽  
Jonny Proppe ◽  
Carmen Herrmann
Keyword(s):  
Machine Learning ◽  
Gaussian Process ◽  
Gaussian Process Regression ◽  
Molecular Magnets ◽  
Molecular Structures ◽  
Spin Coupling ◽  
Structure Property ◽  
Data Set ◽  
Uncertainty Estimates

Heisenberg exchange spin coupling between metal centers is essential for describing and understanding the electronic structure of many molecular catalysts, metalloenzymes, and molecular magnets for potential application in information technology. We explore the machine-learnability of exchange spin coupling, which has not been studied yet. We employ Gaussian process regression since it can potentially deal with small training sets (as likely associated with the rather complex molecular structures required for exploring spin coupling) and since it provides uncertainty estimates (“error bars”) along with predicted values. We compare a range of descriptors and kernels for 257 small dicopper complexes and find that a simple descriptor based on chemical intuition, consisting only of copper-bridge angles and copper-copper distances, clearly outperforms several more sophisticated descriptors when it comes to extrapolating towards larger experimentally relevant complexes. Exchange spin coupling is similarly easy to learn as the polarizability, while learning dipole moments is much harder. The strength of the sophisticated descriptors lies in their ability to linearize structure-property relationships, to the point that a simple linear ridge regression performs just as well as the kernel-based machine-learning model for our small dicopper data set. The superior extrapolation performance of the simple descriptor is unique to exchange spin coupling, reinforcing the crucial role of choosing a suitable descriptor, and highlighting the interesting question of the role of chemical intuition vs. systematic or automated selection of features for machine learning in chemistry and material science.

SAMPL6 Challenge Results from pKa Predictions Based on a General Gaussian Process Model

2018 ◽  
Author(s):  
Caitlin C. Bannan ◽  
David Mobley ◽  
A. Geoff Skillman
Keyword(s):  
Gaussian Process ◽  
Process Model ◽  
Molecular Graph ◽  
Gaussian Process Regression ◽  
Ionization State ◽  
Training Set ◽  
Physiochemical Properties ◽  
Quantile Plots ◽  
Physical And Chemical ◽  
Good Agreement

<div>A variety of fields would benefit from accurate pK<sub>a</sub> predictions, especially drug design due to the affect a change in ionization state can have on a molecules physiochemical properties.</div><div>Participants in the recent SAMPL6 blind challenge were asked to submit predictions for microscopic and macroscopic pK<sub>a</sub>s of 24 drug like small molecules.</div><div>We recently built a general model for predicting pK<sub>a</sub>s using a Gaussian process regression trained using physical and chemical features of each ionizable group.</div><div>Our pipeline takes a molecular graph and uses the OpenEye Toolkits to calculate features describing the removal of a proton.</div><div>These features are fed into a Scikit-learn Gaussian process to predict microscopic pK<sub>a</sub>s which are then used to analytically determine macroscopic pK<sub>a</sub>s.</div><div>Our Gaussian process is trained on a set of 2,700 macroscopic pK<sub>a</sub>s from monoprotic and select diprotic molecules.</div><div>Here, we share our results for microscopic and macroscopic predictions in the SAMPL6 challenge.</div><div>Overall, we ranked in the middle of the pack compared to other participants, but our fairly good agreement with experiment is still promising considering the challenge molecules are chemically diverse and often polyprotic while our training set is predominately monoprotic.</div><div>Of particular importance to us when building this model was to include an uncertainty estimate based on the chemistry of the molecule that would reflect the likely accuracy of our prediction. </div><div>Our model reports large uncertainties for the molecules that appear to have chemistry outside our domain of applicability, along with good agreement in quantile-quantile plots, indicating it can predict its own accuracy.</div><div>The challenge highlighted a variety of means to improve our model, including adding more polyprotic molecules to our training set and more carefully considering what functional groups we do or do not identify as ionizable. </div>

scholarly journals Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression

2019 ◽  
Vol 150 (4) ◽  
pp. 041101 ◽  
Author(s):  
Iakov Polyak ◽  
Gareth W. Richings ◽  
Scott Habershon ◽  
Peter J. Knowles
Keyword(s):  
Gaussian Process ◽  
Quantum Dynamics ◽  
Gaussian Process Regression

scholarly journals Predicting Bridge Elements Deterioration, using Collaborative Gaussian Process Regression

2020 ◽  
Vol 53 (3) ◽  
pp. 348-353
Author(s):  
Maharshi Dhada ◽  
Georgios M. Hadjidemetriou ◽  
Ajith K. Parlikad
Keyword(s):  
Gaussian Process ◽  
Gaussian Process Regression

scholarly journals Modeling of Cutting Force in the Turning of AISI 4340 Using Gaussian Process Regression Algorithm

2021 ◽  
Vol 11 (9) ◽  
pp. 4055
Author(s):  
Mahdi S. Alajmi ◽  
Abdullah M. Almeshal
Keyword(s):  
Gaussian Process ◽  
Cutting Force ◽  
Predictive Accuracy ◽  
Gaussian Process Regression ◽  
Machining Process ◽  
Support Vector ◽  
Process Data ◽  
Cutting Force Prediction ◽  
Artificial Neural Network Ann ◽  
Aisi 4340

Machining process data can be utilized to predict cutting force and optimize process parameters. Cutting force is an essential parameter that has a significant impact on the metal turning process. In this study, a cutting force prediction model for turning AISI 4340 alloy steel was developed using Gaussian process regression (GPR), support vector machines (SVM), and artificial neural network (ANN) methods. The GPR simulations demonstrated a reliable prediction of surface roughness for the dry turning method with R2 = 0.9843, MAPE = 5.12%, and RMSE = 1.86%. Performance comparisons between GPR, SVM, and ANN show that GPR is an effective method that can ensure high predictive accuracy of the cutting force in the turning of AISI 4340.

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