MULTI CRITERION PRIORITY ON KRIGING OF GOLD RESOURCES PREDICTION

This paper describes of three things. First, the Kriging estimation on gold grade which is distributed in the vein. The empirical variogram method based on Matheron classical and robust of Cressie-Hawkins. The two empirical fitting on variogram theory of spherical and exponential equations of weighted least squares and ordinary least squares used. The predictions of six sizes block-Kriging respectively, 15×15, 25×25, 35×35, 50×50, 75×75 and 100×100 based on four variographic models. Second, determine the priority of 24 prediction combinations based on TOPSIS method. Finally, the multiple criterion decision making method namely, 15×15 block Kriging based on a robust empirical variogram of exponential weighted least squares model represents as the best result

Description of Potential Energy Surfaces of Molecules using FFLUX Machine Learning Models

yesA new type of model, FFLUX, to describe the interaction between atoms has been developed as an alternative to traditional force fields. FFLUX models are constructed from applying the kriging machine learning method to the topological energy partitioning method, Interacting Quantum Atoms (IQA). The effect of varying parameters in the construction of the FFLUX models is analyzed, with the most dominant effects found to be the structure of the molecule and the number of conformations used to build the model. Using these models the optimization of a variety of small organic molecules is performed, with sub kJ mol-1 accuracy in the energy of the optimized molecules. The FFLUX models are also evaluated in terms of their performance in describing the potential energy surfaces (PESs) associated with specific degrees of freedoms within molecules. While the accurate description of PESs presents greater challenges than individual minima, FFLUX models are able to achieve errors of <2.5 kJ mol-1 across the full C-C-C-C dihedral PES of n-butane, indicating the future possibilities of the technique

Applying Machine Learning to Optimize Sintered Powder Microstructures from Phase Field Modeling

Indiana University-Purdue University Indianapolis (IUPUI)Sintering is a primary particulate manufacturing technology to provide densification and strength for ceramics and many metals. A persistent problem in this manufacturing technology has been to maintain the quality of the manufactured parts. This can be attributed to the various sources of uncertainty present during the manufacturing process. In this work, a two-particle phase-field model has been analyzed which simulates microstructure evolution during the solid-state sintering process. The sources of uncertainty have been considered as the two input parameters surface diffusivity and inter-particle distance. The response quantity of interest (QOI) has been selected as the size of the neck region that develops between the two particles. Two different cases with equal and unequal sized particles were studied. It was observed that the neck size increased with increasing surface diffusivity and decreased with increasing inter-particle distance irrespective of particle size. Sensitivity analysis found that the inter-particle distance has more influence on variation in neck size than that of surface diffusivity. The machine-learning algorithm Gaussian Process Regression was used to create the surrogate model of the QOI. Bayesian Optimization method was used to find optimal values of the input parameters. For equal-sized particles, optimization using Probability of Improvement provided optimal values of surface diffusivity and inter-particle distance as 23.8268 and 40.0001, respectively. The Expected Improvement as an acquisition function gave optimal values 23.9874 and 40.7428, respectively. For unequal sized particles, optimal design values from Probability of Improvement were 23.9700 and 33.3005 for surface diffusivity and inter-particle distance, respectively, while those from Expected Improvement were 23.9893 and 33.9627. The optimization results from the two different acquisition functions seemed to be in good agreement with each other. The results also validated the fact that surface diffusivity should be higher and inter-particle distance should be lower for achieving larger neck size and better mechanical properties of the material

State-of-the-Art and Comparative Review of Adaptive Sampling Methods for Kriging

Metamodels aim to approximate characteristics of functions or systems from the knowledge extracted on only a finite number of samples. In recent years kriging has emerged as a widely applied metamodeling technique for resource-intensive computational experiments. However its prediction quality is highly dependent on the size and distribution of the given training points. Hence, in order to build proficient kriging models with as few samples as possible adaptive sampling strategies have gained considerable attention. These techniques aim to find pertinent points in an iterative manner based on information extracted from the current metamodel. A review of adaptive schemes for kriging proposed in the literature is presented in this article. The objective is to provide the reader with an overview of the main principles of adaptive techniques, and insightful details to pertinently employ available tools depending on the application at hand. In this context commonly applied strategies are compared with regards to their characteristics and approximation capabilities. In light of these experiments, it is found that the success of a scheme depends on the features of a specific problem and the goal of the analysis. In order to facilitate the entry into adaptive sampling a guide is provided. All experiments described herein are replicable using a provided open source toolbox. © 2020, The Author(s)

Machine Learning-Based Data and Model Driven Bayesian Uncertanity Quantification of Inverse Problems for Suspended Non-structural System

Inverse problems involve extracting the internal structure of a physical system from noisy measurement data. In many fields, the Bayesian inference is used to address the ill-conditioned nature of the inverse problem by incorporating prior information through an initial distribution. In the nonparametric Bayesian framework, surrogate models such as Gaussian Processes or Deep Neural Networks are used as flexible and effective probabilistic modeling tools to overcome the high-dimensional curse and reduce computational costs. In practical systems and computer models, uncertainties can be addressed through parameter calibration, sensitivity analysis, and uncertainty quantification, leading to improved reliability and robustness of decision and control strategies based on simulation or prediction results. However, in the surrogate model, preventing overfitting and incorporating reasonable prior knowledge of embedded physics and models is a challenge. Suspended Nonstructural Systems (SNS) pose a significant challenge in the inverse problem. Research on their seismic performance and mechanical models, particularly in the inverse problem and uncertainty quantification, is still lacking. To address this, the author conducts full-scale shaking table dynamic experiments and monotonic & cyclic tests, and simulations of different types of SNS to investigate mechanical behaviors. To quantify the uncertainty of the inverse problem, the author proposes a new framework that adopts machine learning-based data and model driven stochastic Gaussian process model calibration to quantify the uncertainty via a new black box variational inference that accounts for geometric complexity measure, Minimum Description length (MDL), through Bayesian inference. It is validated in the SNS and yields optimal generalizability and computational scalability