NNVA: Neural Network Assisted Visual Analysis of Yeast Cell Polarization Simulation

Complex computational models are often designed to simulate real-world physical phenomena in many scientific disciplines. However, these simulation models tend to be computationally very expensive and involve a large number of simulation input parameters which need to be analyzed and properly calibrated before the models can be applied for real scientific studies. We propose a visual analysis system to facilitate interactive exploratory analysis of high-dimensional input parameter space for a complex yeast cell polarization simulation. The proposed system can assist the computational biologists, who designed the simulation model, to visually calibrate the input parameters by modifying the parameter values and immediately visualizing the predicted simulation outcome without having the need to run the original expensive simulation for every instance. Our proposed visual analysis system is driven by a trained neural network-based surrogate model as the backend analysis framework. Surrogate models are widely used in the field of simulation sciences to efficiently analyze computationally expensive simulation models. In this work, we demonstrate the advantage of using neural networks as surrogate models for visual analysis by incorporating some of the recent advances in the field of uncertainty quantification, interpretability and explainability of neural network-based models. We utilize the trained network to perform interactive parameter sensitivity analysis of the original simulation at multiple levels-of-detail as well as recommend optimal parameter configurations using the activation maximization framework of neural networks. We also facilitate detail analysis of the trained network to extract useful insights about the simulation model, learned by the network, during the training process.Comment: Published at IEEE Transactions on Visualization and Computer Graphic

State-of-the-art in aerodynamic shape optimisation methods

Aerodynamic optimisation has become an indispensable component for any aerodynamic design over the past 60 years, with applications to aircraft, cars, trains, bridges, wind turbines, internal pipe flows, and cavities, among others, and is thus relevant in many facets of technology. With advancements in computational power, automated design optimisation procedures have become more competent, however, there is an ambiguity and bias throughout the literature with regards to relative performance of optimisation architectures and employed algorithms. This paper provides a well-balanced critical review of the dominant optimisation approaches that have been integrated with aerodynamic theory for the purpose of shape optimisation. A total of 229 papers, published in more than 120 journals and conference proceedings, have been classified into 6 different optimisation algorithm approaches. The material cited includes some of the most well-established authors and publications in the field of aerodynamic optimisation. This paper aims to eliminate bias toward certain algorithms by analysing the limitations, drawbacks, and the benefits of the most utilised optimisation approaches. This review provides comprehensive but straightforward insight for non-specialists and reference detailing the current state for specialist practitioners

Simulation-assisted control in building energy management systems

Technological advances in real-time data collection, data transfer and ever-increasing computational power are bringing simulation-assisted control and on-line fault detection and diagnosis (FDD) closer to reality than was imagined when building energy management systems (BEMSs) were introduced in the 1970s. This paper describes the development and testing of a prototype simulation-assisted controller, in which a detailed simulation program is embedded in real-time control decision making. Results from an experiment in a full-scale environmental test facility demonstrate the feasibility of predictive control using a physically-based thermal simulation program

Engineering design applications of surrogate-assisted optimization techniques

The construction of models aimed at learning the behaviour of a system whose responses to inputs are expensive to measure is a branch of statistical science that has been around for a very long time. Geostatistics has pioneered a drive over the last half century towards a better understanding of the accuracy of such ‘surrogate’ models of the expensive function. Of particular interest to us here are some of the even more recent advances related to exploiting such formulations in an optimization context. While the classic goal of the modelling process has been to achieve a uniform prediction accuracy across the domain, an economical optimization process may aim to bias the distribution of the learning budget towards promising basins of attraction. This can only happen, of course, at the expense of the global exploration of the space and thus finding the best balance may be viewed as an optimization problem in itself. We examine here a selection of the state of-the-art solutions to this type of balancing exercise through the prism of several simple, illustrative problems, followed by two ‘real world’ applications: the design of a regional airliner wing and the multi-objective search for a low environmental impact hous

On-the-fly adaptivity for nonlinear twoscale simulations using artificial neural networks and reduced order modeling

A multi-fidelity surrogate model for highly nonlinear multiscale problems is proposed. It is based on the introduction of two different surrogate models and an adaptive on-the-fly switching. The two concurrent surrogates are built incrementally starting from a moderate set of evaluations of the full order model. Therefore, a reduced order model (ROM) is generated. Using a hybrid ROM-preconditioned FE solver, additional effective stress-strain data is simulated while the number of samples is kept to a moderate level by using a dedicated and physics-guided sampling technique. Machine learning (ML) is subsequently used to build the second surrogate by means of artificial neural networks (ANN). Different ANN architectures are explored and the features used as inputs of the ANN are fine tuned in order to improve the overall quality of the ML model. Additional ANN surrogates for the stress errors are generated. Therefore, conservative design guidelines for error surrogates are presented by adapting the loss functions of the ANN training in pure regression or pure classification settings. The error surrogates can be used as quality indicators in order to adaptively select the appropriate -- i.e. efficient yet accurate -- surrogate. Two strategies for the on-the-fly switching are investigated and a practicable and robust algorithm is proposed that eliminates relevant technical difficulties attributed to model switching. The provided algorithms and ANN design guidelines can easily be adopted for different problem settings and, thereby, they enable generalization of the used machine learning techniques for a wide range of applications. The resulting hybrid surrogate is employed in challenging multilevel FE simulations for a three-phase composite with pseudo-plastic micro-constituents. Numerical examples highlight the performance of the proposed approach