Bayesian Evaluation of Engineering Models

Author(s):  
Natesh Chandrashekar ◽  
Sundar Krishnamurty

This paper deals with the development of simulation-based design models under uncertainty, and presents an approach for building surrogate models and validating them for their efficacy and relevance from a design decision perspective. Specifically, this work addresses the fundamental research issue of how to build such surrogate models that are computationally efficient and sufficiently accurate, and meaningful from the viewpoint of its subsequent use in design. Towards this goal, this work presents a Bayesian analysis based iterative model building and model validation process leading to reliable and accurate surrogate models, which can then be invoked in the final design optimization phase. The resulting surrogate models can be expected to act as abstractions or idealizations of the engineering analysis models and can mimic system performance in a computationally efficient manner to facilitate design decisions under uncertainty. This is accomplished by first building initial models, and then refining and validating them over many stages, in line with the iterative nature of the engineering design process. Salient features of this work include the introduction of a novel preference-based design screening strategy nested in an optimally-selected prior information set for validation purposes; and the use of a Bayesian evaluation based model-updating technique to capture new information and enhance model’s value and effectiveness. A case study of the design of a windshield wiper arm is used to demonstrate the overall methodology and the results are discussed.

Author(s):  
Tiefu Shao ◽  
Sundar Krishnamurty

This paper addresses the critical issue of fidelity in simulation-based design optimization using preference-based surrogate models. Specifically, it presents an integrated clustering-based updating procedure in a genetic algorithm setup to iteratively improve the efficacy of Kriging models. A potential drawback of using preference-based surrogate models in simulation based design is that the surrogates may misrepresent the true optima if the model building schemes fail to capture the critical points of interest with enough fidelity or clarity. This work addresses this vulnerability and presents an efficient clustering-technique integrated surrogate model updating procedure that can capture the buried, transient, yet inherent data pattern in the evolution progression of design candidates within a genetic algorithm setup, and screen out distinct optimal points for subsequent sequential model validation and updating. The results show that the successful finding of the true optimal design through cost-effective surrogate-based optimization depends not only on the selection of sampling schemes such as sample rate and distribution in the initial surrogate model build-up, but also on an efficient and reliable updating procedure that can prevent suboptimal decisions.


2008 ◽  
Vol 130 (4) ◽  
Author(s):  
Tiefu Shao ◽  
Sundar Krishnamurty

This paper addresses the critical issue of effectiveness and efficiency in simulation-based optimization using surrogate models as predictive models in engineering design. Specifically, it presents a novel clustering-based multilocation search (CMLS) procedure to iteratively improve the fidelity and efficacy of Kriging models in the context of design decisions. The application of this approach will overcome the potential drawback in surrogate-model-based design optimization, namely, the use of surrogate models may result in suboptimal solutions due to the possible smoothing out of the global optimal point if the sampling scheme fails to capture the critical points of interest with enough fidelity or clarity. The paper details how the problem of smoothing out the best (SOB) can remain unsolved in multimodal systems, even if a sequential model updating strategy has been employed, and lead to erroneous outcomes. Alternatively, to overcome the problem of SOB defect, this paper presents the CMLS method that uses a novel clustering-based methodical procedure to screen out distinct potential optimal points for subsequent model validation and updating from a design decision perspective. It is embedded within a genetic algorithm setup to capture the buried, transient, yet inherent data pattern in the design evolution based on the principles of data mining, which are then used to improve the overall performance and effectiveness of surrogate-model-based design optimization. Four illustrative case studies, including a 21bar truss problem, are detailed to demonstrate the application of the CMLS methodology and the results are discussed.


2020 ◽  
Vol 20 (14) ◽  
pp. 1375-1388 ◽  
Author(s):  
Patnala Ganga Raju Achary

The scientists, and the researchers around the globe generate tremendous amount of information everyday; for instance, so far more than 74 million molecules are registered in Chemical Abstract Services. According to a recent study, at present we have around 1060 molecules, which are classified as new drug-like molecules. The library of such molecules is now considered as ‘dark chemical space’ or ‘dark chemistry.’ Now, in order to explore such hidden molecules scientifically, a good number of live and updated databases (protein, cell, tissues, structure, drugs, etc.) are available today. The synchronization of the three different sciences: ‘genomics’, proteomics and ‘in-silico simulation’ will revolutionize the process of drug discovery. The screening of a sizable number of drugs like molecules is a challenge and it must be treated in an efficient manner. Virtual screening (VS) is an important computational tool in the drug discovery process; however, experimental verification of the drugs also equally important for the drug development process. The quantitative structure-activity relationship (QSAR) analysis is one of the machine learning technique, which is extensively used in VS techniques. QSAR is well-known for its high and fast throughput screening with a satisfactory hit rate. The QSAR model building involves (i) chemo-genomics data collection from a database or literature (ii) Calculation of right descriptors from molecular representation (iii) establishing a relationship (model) between biological activity and the selected descriptors (iv) application of QSAR model to predict the biological property for the molecules. All the hits obtained by the VS technique needs to be experimentally verified. The present mini-review highlights: the web-based machine learning tools, the role of QSAR in VS techniques, successful applications of QSAR based VS leading to the drug discovery and advantages and challenges of QSAR.


2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Rahi Jain ◽  
Wei Xu

Abstract Background Developing statistical and machine learning methods on studies with missing information is a ubiquitous challenge in real-world biological research. The strategy in literature relies on either removing the samples with missing values like complete case analysis (CCA) or imputing the information in the samples with missing values like predictive mean matching (PMM) such as MICE. Some limitations of these strategies are information loss and closeness of the imputed values with the missing values. Further, in scenarios with piecemeal medical data, these strategies have to wait to complete the data collection process to provide a complete dataset for statistical models. Method and results This study proposes a dynamic model updating (DMU) approach, a different strategy to develop statistical models with missing data. DMU uses only the information available in the dataset to prepare the statistical models. DMU segments the original dataset into small complete datasets. The study uses hierarchical clustering to segment the original dataset into small complete datasets followed by Bayesian regression on each of the small complete datasets. Predictor estimates are updated using the posterior estimates from each dataset. The performance of DMU is evaluated by using both simulated data and real studies and show better results or at par with other approaches like CCA and PMM. Conclusion DMU approach provides an alternative to the existing approaches of information elimination and imputation in processing the datasets with missing values. While the study applied the approach for continuous cross-sectional data, the approach can be applied to longitudinal, categorical and time-to-event biological data.


2014 ◽  
Vol 136 (4) ◽  
Author(s):  
Joshua E. Johnson ◽  
Phil Lee ◽  
Terence E. McIff ◽  
E. Bruce Toby ◽  
Kenneth J. Fischer

Joint injuries and the resulting posttraumatic osteoarthritis (OA) are a significant problem. There is still a need for tools to evaluate joint injuries, their effect on joint mechanics, and the relationship between altered mechanics and OA. Better understanding of injuries and their relationship to OA may aid in the development or refinement of treatment methods. This may be partially achieved by monitoring changes in joint mechanics that are a direct consequence of injury. Techniques such as image-based finite element modeling can provide in vivo joint mechanics data but can also be laborious and computationally expensive. Alternate modeling techniques that can provide similar results in a computationally efficient manner are an attractive prospect. It is likely possible to estimate risk of OA due to injury from surface contact mechanics data alone. The objective of this study was to compare joint contact mechanics from image-based surface contact modeling (SCM) and finite element modeling (FEM) in normal, injured (scapholunate ligament tear), and surgically repaired radiocarpal joints. Since FEM is accepted as the gold standard to evaluate joint contact stresses, our assumption was that results obtained using this method would accurately represent the true value. Magnetic resonance images (MRI) of the normal, injured, and postoperative wrists of three subjects were acquired when relaxed and during functional grasp. Surface and volumetric models of the radiolunate and radioscaphoid articulations were constructed from the relaxed images for SCM and FEM analyses, respectively. Kinematic boundary conditions were acquired from image registration between the relaxed and grasp images. For the SCM technique, a linear contact relationship was used to estimate contact outcomes based on interactions of the rigid articular surfaces in contact. For FEM, a pressure-overclosure relationship was used to estimate outcomes based on deformable body contact interactions. The SCM technique was able to evaluate variations in contact outcomes arising from scapholunate ligament injury and also the effects of surgical repair, with similar accuracy to the FEM gold standard. At least 80% of contact forces, peak contact pressures, mean contact pressures and contact areas from SCM were within 10 N, 0.5 MPa, 0.2 MPa, and 15 mm2, respectively, of the results from FEM, regardless of the state of the wrist. Depending on the application, the MRI-based SCM technique has the potential to provide clinically relevant subject-specific results in a computationally efficient manner compared to FEM.


2021 ◽  
Vol 73 (03) ◽  
pp. 25-30
Author(s):  
Srikanta Mishra ◽  
Jared Schuetter ◽  
Akhil Datta-Gupta ◽  
Grant Bromhal

Algorithms are taking over the world, or so we are led to believe, given their growing pervasiveness in multiple fields of human endeavor such as consumer marketing, finance, design and manufacturing, health care, politics, sports, etc. The focus of this article is to examine where things stand in regard to the application of these techniques for managing subsurface energy resources in domains such as conventional and unconventional oil and gas, geologic carbon sequestration, and geothermal energy. It is useful to start with some definitions to establish a common vocabulary. Data analytics (DA)—Sophisticated data collection and analysis to understand and model hidden patterns and relationships in complex, multivariate data sets Machine learning (ML)—Building a model between predictors and response, where an algorithm (often a black box) is used to infer the underlying input/output relationship from the data Artificial intelligence (AI)—Applying a predictive model with new data to make decisions without human intervention (and with the possibility of feedback for model updating) Thus, DA can be thought of as a broad framework that helps determine what happened (descriptive analytics), why it happened (diagnostic analytics), what will happen (predictive analytics), or how can we make something happen (prescriptive analytics) (Sankaran et al. 2019). Although DA is built upon a foundation of classical statistics and optimization, it has increasingly come to rely upon ML, especially for predictive and prescriptive analytics (Donoho 2017). While the terms DA, ML, and AI are often used interchangeably, it is important to recognize that ML is basically a subset of DA and a core enabling element of the broader application for the decision-making construct that is AI. In recent years, there has been a proliferation in studies using ML for predictive analytics in the context of subsurface energy resources. Consider how the number of papers on ML in the OnePetro database has been increasing exponentially since 1990 (Fig. 1). These trends are also reflected in the number of technical sessions devoted to ML/AI topics in conferences organized by SPE, AAPG, and SEG among others; as wells as books targeted to practitioners in these professions (Holdaway 2014; Mishra and Datta-Gupta 2017; Mohaghegh 2017; Misra et al. 2019). Given these high levels of activity, our goal is to provide some observations and recommendations on the practice of data-driven model building using ML techniques. The observations are motivated by our belief that some geoscientists and petroleum engineers may be jumping the gun by applying these techniques in an ad hoc manner without any foundational understanding, whereas others may be holding off on using these methods because they do not have any formal ML training and could benefit from some concrete advice on the subject. The recommendations are conditioned by our experience in applying both conventional statistical modeling and data analytics approaches to practical problems.


Sensors ◽  
2019 ◽  
Vol 19 (3) ◽  
pp. 685 ◽  
Author(s):  
Han Fan ◽  
Victor Hernandez Bennetts ◽  
Erik Schaffernicht ◽  
Achim Lilienthal

Emergency personnel, such as firefighters, bomb technicians, and urban search and rescue specialists, can be exposed to a variety of extreme hazards during the response to natural and human-made disasters. In many of these scenarios, a risk factor is the presence of hazardous airborne chemicals. The recent and rapid advances in robotics and sensor technologies allow emergency responders to deal with such hazards from relatively safe distances. Mobile robots with gas-sensing capabilities allow to convey useful information such as the possible source positions of different chemicals in the emergency area. However, common gas sampling procedures for laboratory use are not applicable due to the complexity of the environment and the need for fast deployment and analysis. In addition, conventional gas identification approaches, based on supervised learning, cannot handle situations when the number and identities of the present chemicals are unknown. For the purpose of emergency response, all the information concluded from the gas detection events during the robot exploration should be delivered in real time. To address these challenges, we developed an online gas-sensing system using an electronic nose. Our system can automatically perform unsupervised learning and update the discrimination model as the robot is exploring a given environment. The online gas discrimination results are further integrated with geometrical information to derive a multi-compound gas spatial distribution map. The proposed system is deployed on a robot built to operate in harsh environments for supporting fire brigades, and is validated in several different real-world experiments of discriminating and mapping multiple chemical compounds in an indoor open environment. Our results show that the proposed system achieves high accuracy in gas discrimination in an online, unsupervised, and computationally efficient manner. The subsequently created gas distribution maps accurately indicate the presence of different chemicals in the environment, which is of practical significance for emergency response.


2014 ◽  
Vol 13s2 ◽  
pp. CIN.S13786 ◽  
Author(s):  
Yang Ni ◽  
Francesco C. Stingo ◽  
Veerabhadran Baladandayuthapani

Rapid development of genome-wide profiling technologies has made it possible to conduct integrative analysis on genomic data from multiple platforms. In this study, we develop a novel integrative Bayesian network approach to investigate the relationships between genetic and epigenetic alterations as well as how these mutations affect a patient's clinical outcome. We take a Bayesian network approach that admits a convenient decomposition of the joint distribution into local distributions. Exploiting the prior biological knowledge about regulatory mechanisms, we model each local distribution as linear regressions. This allows us to analyze multi-platform genome-wide data in a computationally efficient manner. We illustrate the performance of our approach through simulation studies. Our methods are motivated by and applied to a multi-platform glioblastoma dataset, from which we reveal several biologically relevant relationships that have been validated in the literature as well as new genes that could potentially be novel biomarkers for cancer progression.


2016 ◽  
Vol 24 (11) ◽  
pp. 2165-2179 ◽  
Author(s):  
Azin Ghaffary ◽  
Reza Karami Mohammadi

Virtual hybrid simulation is a computationally-efficient method that enables coupling of two or more finite element analysis programs. In this study, benefits of this technique in predicting both cyclic and seismic response of a one-story one-bay frame equipped with a Triangular-plate Added Damping and Stiffness (TADAS) damper are evaluated. For this purpose, a detailed FE model of the damper is built in Abaqus to take into account precise modelling of its hysteretic behavior as well as a number of important features related to the geometric characteristics of the including parts of the device, while the remainder of the structure is modelled in OpenSees. Continuous exchange of the data between the coupled codes is conducted through the software framework, OpenFresco. Comparison of the results with experimental outcomes is presented, which proves the ability of the introduced technique in modelling the behavior of such structures in an efficient manner while preserving sufficient accuracy. At the end, a series of dynamic virtual hybrid simulations of the frame are performed which provide useful insights into design of TADAS frames.


2017 ◽  
Vol 57 (2) ◽  
pp. 728
Author(s):  
Dominic Fell ◽  
Kiran Dyal ◽  
Tony Hallam ◽  
Sebastian Nixon

Rugose seabed and near seafloor features in marine seismic datasets such as canyons, mass transport deposits and paleo-channels, present a major imaging challenge that can be overcome by a rigorous and careful approach in the earth model building process. To obtain an accurate image of the deeper target levels, a modelling and data driven update of the distinctive velocity characteristics of the overburden features are necessary. Without adequately addressing the complexity of the shallow velocity field, the final depth image of the target intervals can be poorly focussed and contaminated with non-geologic structural distortions. Inadequate corrections ultimately have an adverse impact upon the interpretation of the dataset. This paper presents a successful earth modelling approach used to obtain an accurate depth image for a marine dataset located on the shelf break in the Otway Basin. The case study area includes extensive seafloor canyons and associated paleo-channels, requiring the strategic use of several geologically constrained model updating technologies in order to obtain a final imaged section free of velocity related structural distortions.


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