Data-Centric Engineering is an emerging branch of science that certainly will take on a leading role in data-driven research. We live in the Big Data era with huge amounts of available data and unseen computing power, and therefore a crafty combination of Statistics (or, in more modern terms, Data Science), Computer Science and Engineering is required to filter out the most important information, master the ever more difficult challenges of a changing world and open new paths. In this paper, we will highlight some of these aspects from a combined perspective of a statistician, an engineer and a software developer. In particular, we will focus on sound data handling and analysis, computational science in Structural Engineering, data care, security and monitoring, and conclude with an outlook on future developments.

Conveyor belt wear is an important consideration in the bulk materials handling industry. We define four belt wear rate metrics and develop a model to predict wear rates of new conveyor configurations using an industry dataset that includes ultrasonic thickness measurements, conveyor attributes, and conveyor throughput. All variables are expected to contribute in some way to explaining wear rate and are included in modeling. One specific metric, the maximum throughput-based wear rate, is selected as the prediction target, and cross-validation is used to evaluate the out-of-sample performance of random forest and linear regression algorithms. The random forest approach achieves a lower error of 0.152 mm/megatons (standard deviation [SD] = 0.0648). Permutation importance and partial dependence plots are computed to provide insights into the relationship between conveyor parameters and wear rate. This work demonstrates how belt wear rate can be quantified from imprecise thickness testing methods and provides a transparent modeling framework applicable to other supervised learning problems in risk and reliability.

We apply deep kernel learning (DKL), which can be viewed as a combination of a Gaussian process (GP) and a deep neural network (DNN), to compression ignition engine emissions and compare its performance to a selection of other surrogate models on the same dataset. Surrogate models are a class of computationally cheaper alternatives to physics-based models. High-dimensional model representation (HDMR) is also briefly discussed and acts as a benchmark model for comparison. We apply the considered methods to a dataset, which was obtained from a compression ignition engine and includes as outputs soot and NOx emissions as functions of 14 engine operating condition variables. We combine a quasi-random global search with a conventional grid-optimization method in order to identify suitable values for several DKL hyperparameters, which include network architecture, kernel, and learning parameters. The performance of DKL, HDMR, plain GPs, and plain DNNs is compared in terms of the root mean squared error (RMSE) of the predictions as well as computational expense of training and evaluation. It is shown that DKL performs best in terms of RMSE in the predictions whilst maintaining the computational cost at a reasonable level, and DKL predictions are in good agreement with the experimental emissions data.

This paper introduces a set of principles that articulate a shared vision for increasing access to data in the engineering and related sectors. The principles are intended to help guide progress toward a data ecosystem that provides sustainable access to data, in ways that will help a variety of stakeholders in maximizing its value while mitigating potential harms. In addition to being a manifesto for change, the principles can also be viewed as a means for understanding the alignment, overlaps and gaps between a range of existing research programs, policy initiatives, and related work on data governance and sharing. After providing background on the growing data economy and relevant recent policy initiatives in the United Kingdom and European Union, we then introduce the nine key principles of the manifesto. For each principle, we provide some additional rationale and links to related work. We invite feedback on the manifesto and endorsements from a range of stakeholders.

This paper presents Parallel World Framework as a solution for simulations of complex systems within a time-varying knowledge graph and its application to the electric grid of Jurong Island in Singapore. The underlying modeling system is based on the Semantic Web Stack. Its linked data layer is described by means of ontologies, which span multiple domains. The framework is designed to allow what-if scenarios to be simulated generically, even for complex, inter-linked, cross-domain applications, as well as conducting multi-scale optimizations of complex superstructures within the system. Parallel world containers, introduced by the framework, ensure data separation and versioning of structures crossing various domain boundaries. Separation of operations, belonging to a particular version of the world, is taken care of by a scenario agent. It encapsulates functionality of operations on data and acts as a parallel world proxy to all of the other agents operating on the knowledge graph. Electric network optimization for carbon tax is demonstrated as a use case. The framework allows to model and evaluate electrical networks corresponding to set carbon tax values by retrofitting different types of power generators and optimizing the grid accordingly. The use case shows the possibility of using this solution as a tool for CO2 reduction modeling and planning at scale due to its distributed architecture.

In chemical process engineering, surrogate models of complex systems are often necessary for tasks of domain exploration, sensitivity analysis of the design parameters, and optimization. A suite of computational fluid dynamics (CFD) simulations geared toward chemical process equipment modeling has been developed and validated with experimental results from the literature. Various regression-based active learning strategies are explored with these CFD simulators in-the-loop under the constraints of a limited function evaluation budget. Specifically, five different sampling strategies and five regression techniques are compared, considering a set of four test cases of industrial significance and varying complexity. Gaussian process regression was observed to have a consistently good performance for these applications. The present quantitative study outlines the pros and cons of the different available techniques and highlights the best practices for their adoption. The test cases and tools are available with an open-source license to ensure reproducibility and engage the wider research community in contributing to both the CFD models and developing and benchmarking new improved algorithms tailored to this field.

The search space for new thermoelectric oxides has been limited to the alloys of a few known systems, such as ZnO, SrTiO3, and CaMnO3. Notwithstanding the high power factor, their high thermal conductivity is a roadblock in achieving higher efficiency. In this paper, we apply machine learning (ML) models for discovering novel transition metal oxides with low lattice thermal conductivity ($ {k}_L $). A two-step process is proposed to address the problem of small datasets frequently encountered in material informatics. First, a gradient-boosted tree classifier is learnt to categorize unknown compounds into three categories of $ {k}_L $: low, medium, and high. In the second step, we fit regression models on the targeted class (i.e., low $ {k}_L $) to estimate $ {k}_L $ with an $ {R}^2>0.9 $. Gradient boosted tree model was also used to identify key material properties influencing classification of $ {k}_L $, namely lattice energy per atom, atom density, band gap, mass density, and ratio of oxygen by transition metal atoms. Only fundamental materials properties describing the crystal symmetry, compound chemistry, and interatomic bonding were used in the classification process, which can be readily used in the initial phases of materials design. The proposed two-step process addresses the problem of small datasets and improves the predictive accuracy. The ML approach adopted in the present work is generic in nature and can be combined with high-throughput computing for the rapid discovery of new materials for specific applications.

We develop a model that successfully learns social and organizational human network structure using ambient sensing data from distributed plug load energy sensors in commercial buildings. A key goal for the design and operation of commercial buildings is to support the success of organizations within them. In modern workspaces, a particularly important goal is collaboration, which relies on physical interactions among individuals. Learning the true socio-organizational relational ties among workers can therefore help managers of buildings and organizations make decisions that improve collaboration. In this paper, we introduce the Interaction Model, a method for inferring human network structure that leverages data from distributed plug load energy sensors. In a case study, we benchmark our method against network data obtained through a survey and compare its performance to other data-driven tools. We find that unlike previous methods, our method infers a network that is correlated with the survey network to a statistically significant degree (graph correlation of 0.46, significant at the 0.01 confidence level). We additionally find that our method requires only 10 weeks of sensing data, enabling dynamic network measurement. Learning human network structure through data-driven means can enable the design and operation of spaces that encourage, rather than inhibit, the success of organizations.

X-ray tomography has applications in various industrial fields such as sawmill industry, oil and gas industry, as well as chemical, biomedical, and geotechnical engineering. In this article, we study Bayesian methods for the X-ray tomography reconstruction. In Bayesian methods, the inverse problem of tomographic reconstruction is solved with the help of a statistical prior distribution which encodes the possible internal structures by assigning probabilities for smoothness and edge distribution of the object. We compare Gaussian random field priors, that favor smoothness, to non-Gaussian total variation (TV), Besov, and Cauchy priors which promote sharp edges and high- and low-contrast areas in the object. We also present computational schemes for solving the resulting high-dimensional Bayesian inverse problem with 100,000–1,000,000 unknowns. We study the applicability of a no-U-turn variant of Hamiltonian Monte Carlo (HMC) methods and of a more classical adaptive Metropolis-within-Gibbs (MwG) algorithm to enable full uncertainty quantification of the reconstructions. We use maximum a posteriori (MAP) estimates with limited-memory BFGS (Broyden–Fletcher–Goldfarb–Shanno) optimization algorithm. As the first industrial application, we consider sawmill industry X-ray log tomography. The logs have knots, rotten parts, and even possibly metallic pieces, making them good examples for non-Gaussian priors. Secondly, we study drill-core rock sample tomography, an example from oil and gas industry. In that case, we compare the priors without uncertainty quantification. We show that Cauchy priors produce smaller number of artefacts than other choices, especially with sparse high-noise measurements, and choosing HMC enables systematic uncertainty quantification, provided that the posterior is not pathologically multimodal or heavy-tailed.

Aircraft performance models play a key role in airline operations, especially in planning a fuel-efficient flight. In practice, manufacturers provide guidelines which are slightly modified throughout the aircraft life cycle via the tuning of a single factor, enabling better fuel predictions. However, this has limitations, in particular, they do not reflect the evolution of each feature impacting the aircraft performance. Our goal here is to overcome this limitation. The key contribution of the present article is to foster the use of machine learning to leverage the massive amounts of data continuously recorded during flights performed by an aircraft and provide models reflecting its actual and individual performance. We illustrate our approach by focusing on the estimation of the drag and lift coefficients from recorded flight data. As these coefficients are not directly recorded, we resort to aerodynamics approximations. As a safety check, we provide bounds to assess the accuracy of both the aerodynamics approximation and the statistical performance of our approach. We provide numerical results on a collection of machine learning algorithms. We report excellent accuracy on real-life data and exhibit empirical evidence to support our modeling, in coherence with aerodynamics principles.

In various scenarios, the motion of a tracked object, for example, a pointing apparatus, pedestrian, animal, vehicle, and others, is driven by achieving a premeditated goal such as reaching a destination. This is albeit the various possible trajectories to this endpoint. This paper presents a generic Bayesian framework that utilizes stochastic models that can capture the influence of intent (viz., destination) on the object behavior. It leads to simple algorithms to infer, as early as possible, the intended endpoint from noisy sensory observations, with relatively low computational and training data requirements. This framework is introduced in the context of the novel predictive touch technology for intelligent user interfaces and touchless interactions. It can determine, early in the interaction task or pointing gesture, the interface item the user intends to select on the display (e.g., touchscreen) and accordingly simplify as well as expedite the selection task. This is shown to significantly improve the usability of displays in vehicles, especially under the influence of perturbations due to road and driving conditions, and enable intuitive contact-free interactions. Data collected in instrumented vehicles are shown to demonstrate the effectiveness of the proposed intent prediction approach.

Multicomponent polymer systems are of interest in organic photovoltaic and drug delivery applications, among others where diverse morphologies influence performance. An improved understanding of morphology classification, driven by composition-informed prediction tools, will aid polymer engineering practice. We use a modified Cahn–Hilliard model to simulate polymer precipitation. Such physics-based models require high-performance computations that prevent rapid prototyping and iteration in engineering settings. To reduce the required computational costs, we apply machine learning (ML) techniques for clustering and consequent prediction of the simulated polymer-blend images in conjunction with simulations. Integrating ML and simulations in such a manner reduces the number of simulations needed to map out the morphology of polymer blends as a function of input parameters and also generates a data set which can be used by others to this end. We explore dimensionality reduction, via principal component analysis and autoencoder techniques, and analyze the resulting morphology clusters. Supervised ML using Gaussian process classification was subsequently used to predict morphology clusters according to species molar fraction and interaction parameter inputs. Manual pattern clustering yielded the best results, but ML techniques were able to predict the morphology of polymer blends with ≥90% accuracy.

The concept of a “digital twin” as a model for data-driven management and control of physical systems has emerged over the past decade in the domains of manufacturing, production, and operations. In the context of buildings and civil infrastructure, the notion of a digital twin remains ill-defined, with little or no consensus among researchers and practitioners of the ways in which digital twin processes and data-centric technologies can support design and construction. This paper builds on existing concepts of Building Information Modeling (BIM), lean project production systems, automated data acquisition from construction sites and supply chains, and artificial intelligence to formulate a mode of construction that applies digital twin information systems to achieve closed loop control systems. It contributes a set of four core information and control concepts for digital twin construction (DTC), which define the dimensions of the conceptual space for the information used in DTC workflows. Working from the core concepts, we propose a DTC information system workflow—including information stores, information processing functions, and monitoring technologies—according to three concentric control workflow cycles. DTC should be viewed as a comprehensive mode of construction that prioritizes closing the control loops rather than an extension of BIM tools integrated with sensing and monitoring technologies.

In this paper, we apply flexible data-driven analysis methods on large-scale mass transit data to identify areas for improvement in the engineering and operation of urban rail systems. Specifically, we use data from automated fare collection (AFC) and automated vehicle location (AVL) systems to obtain a more precise characterisation of the drivers of journey time variance on the London Underground, and thus an improved understanding of delay. Total journey times are decomposed via a probabilistic assignment algorithm, and semiparametric regression is undertaken to disentangle the effects of passenger-specific travel characteristics from network-related factors. For total journey times, we find that network characteristics, primarily train speeds and headways, represent the majority of journey time variance. However, within the typically twice as onerous access and egress time components, passenger-level heterogeneity is more influential. On average, we find that intra-passenger heterogeneity represents 6% and 19% of variance in access and egress times, respectively, and that inter-passenger effects have a similar or greater degree of influence than static network characteristics. The analysis shows that while network-specific characteristics are the primary drivers of journey time variance in absolute terms, a nontrivial proportion of passenger-perceived variance would be influenced by passenger-specific characteristics. The findings have potential applications related to improving the understanding of passenger movements within stations, for example, the analysis can be used to assess the relative way-finding complexity of stations, which can in turn guide transit operators in the targeting of potential interventions.

We propose, calibrate, and validate a crowdsourced approach for estimating power spectral density (PSD) of road roughness based on an inverse analysis of vertical acceleration measured by a smartphone mounted in an unknown position in a vehicle. Built upon random vibration analysis of a half-car mechanistic model of roughness-induced pavement–vehicle interaction, the inverse analysis employs an L2 norm regularization to estimate ride quality metrics, such as the widely used International Roughness Index, from the acceleration PSD. Evoking the fluctuation–dissipation theorem of statistical physics, the inverse framework estimates the half-car dynamic vehicle properties and related excess fuel consumption. The method is validated against (a) laser-measured road roughness data for both inner city and highway road conditions and (b) road roughness data for the state of California. We also show that the phone position in the vehicle only marginally affects road roughness predictions, an important condition for crowdsourced capabilities of the proposed approach.

For research in the fields of engineering asset management (EAM) and system health, relevant data resides in the information systems of the asset owners, typically industrial corporations or government bodies. For academics to access EAM data sets for research purposes can be a difficult and time-consuming task. To facilitate a more consistent approach toward releasing asset-related data, we have developed a data risk assessment tool (DRAT). This tool evaluates and suggests controls to manage, risks associated with the release of EAM datasets to academic entities for research purposes. Factors considered in developing the tool include issues such as where accountability for approval sits in organizations, what affects an individual manager’s willingness to approve release, and how trust between universities and industry can be established and damaged. This paper describes the design of the DRAT tool and demonstrates its use on case studies provided by EAM owners for past research projects. The DRAT tool is currently being used to manage the data release process in a government-industry-university research partnership.

Traffic congestion across the world has reached chronic levels. Despite many technological disruptions, one of the most fundamental and widely used functions within traffic modeling, the volume–delay function has seen little in the way of change since it was developed in the 1960s. Traditionally macroscopic methods have been employed to relate traffic volume to vehicular journey time. The general nature of these functions enables their ease of use and gives widespread applicability. However, they lack the ability to consider individual road characteristics (i.e., geometry, presence of traffic furniture, road quality, and surrounding environment). This research investigates the feasibility to reconstruct the model using two different data sources, namely the traffic speed from Google Maps’ Directions Application Programming Interface (API) and traffic volume data from automated traffic counters (ATC). Google’s traffic speed data are crowd-sourced from the smartphone Global Positioning System (GPS) of road users, able to reflect real-time, context-specific traffic condition of a road. On the other hand, the ATCs enable the harvesting of the vehicle volume data over equally fine temporal resolutions (hourly or less). By combining them for different road types in London, new context-specific volume–delay functions can be generated. This method shows promise in selected locations with the generation of robust functions. In other locations, it highlights the need to better understand other influencing factors, such as the presence of on-road parking or weather events.

As characterization and modeling of complex materials by phenomenological models remains challenging, data-driven computing that performs physical simulations directly from material data has attracted considerable attention. Data-driven computing is a general computational mechanics framework that consists of a physical solver and a material solver, based on which data-driven solutions are obtained through minimization procedures. This work develops a new material solver built upon the local convexity-preserving reconstruction scheme by He and Chen (2020) A physics-constrained data-driven approach based on locally convex reconstruction for noisy database. Computer Methods in Applied Mechanics and Engineering 363, 112791 to model anisotropic nonlinear elastic solids. In this approach, a two-level local data search algorithm for material anisotropy is introduced into the material solver in online data-driven computing. A material anisotropic state characterizing the underlying material orientation is used for the manifold learning projection in the material solver. The performance of the proposed data-driven framework with noiseless and noisy material data is validated by solving two benchmark problems with synthetic material data. The data-driven solutions are compared with the constitutive model-based reference solutions to demonstrate the effectiveness of the proposed methods.

This paper presents the development process of a digital twin of a unique hydroponic underground farm in London, Growing Underground (GU). Growing 12x more per unit area than traditional greenhouse farming in the UK, the farm also consumes 4x more energy per unit area. Key to the ongoing operational success of this farm and similar enterprises is finding ways to minimize the energy use while maximizing crop growth by maintaining optimal growing conditions. As such, it belongs to the class of Controlled Environment Agriculture, where indoor environments are carefully controlled to maximize crop growth by using artificial lighting and smart heating, ventilation, and air conditioning systems. We tracked changing environmental conditions and crop growth across 89 different variables, through a wireless sensor network and unstructured manual records, and combined all the data into a database. We show how the digital twin can provide enhanced outputs for a bespoke site like GU, by creating inferred data fields, and show the limitations of data collection in a commercial environment. For example, we find that lighting is the dominant environmental factor for temperature and thus crop growth in this farm, and that the effects of external temperature and ventilation are confounded. We combine information learned from historical data interpretation to create a bespoke temperature forecasting model (root mean squared error < 1.3°C), using a dynamic linear model with a data-centric lighting component. Finally, we present how the forecasting model can be integrated into the digital twin to provide feedback to the farmers for decision-making assistance.