New scientific knowledge is needed more urgently than ever, to address global challenges such as climate change, sustainability, health, and societal well-being. Could artificial intelligence (AI) accelerate science to meet these global challenges in time? AI is already revolutionizing individual scientific disciplines, but we argue here that it could be more holistic and encompassing. We introduce the concept of virtual laboratories as a new perspective on scientific knowledge generation and a means to incentivize new AI research and development. Despite the often perceived domain-specific research practices and inherent tacit knowledge, we argue that many elements of the research process recur across scientific domains and that even common software platforms for serving different domains may be possible. We outline how virtual laboratories will make it easier for AI researchers to contribute to a broad range of scientific domains, and highlight the mutual benefits virtual laboratories offer to both AI and domain scientists.

A neural network framework is used to design a new Ni-based superalloy that surpasses the performance of IN718 for laser-blown-powder directed-energy-deposition repair applications. The framework utilized a large database comprising physical and thermodynamic properties for different alloy compositions to learn both composition to property and also property to property relationships. The alloy composition space was based on IN718, although, W was additionally included and the limiting Al and Co content were allowed to increase compared standard IN718, thereby allowing the alloy to approach the composition of ATI 718Plus® (718Plus). The composition with the highest probability of satisfying target properties including phase stability, solidification strain, and tensile strength was identified. The alloy was fabricated, and the properties were experimentally investigated. The testing confirms that this alloy offers advantages for additive repair applications over standard IN718.

The finite element method (FEM) is widely used to simulate a variety of physics phenomena. Approaches that integrate FEM with neural networks (NNs) are typically leveraged as an alternative to conducting expensive FEM simulations in order to reduce the computational cost without significantly sacrificing accuracy. However, these methods can produce biased predictions that deviate from those obtained with FEM, since these hybrid FEM-NN approaches rely on approximations trained using physically relevant quantities. In this work, an uncertainty estimation framework is introduced that leverages ensembles of Bayesian neural networks to produce diverse sets of predictions using a hybrid FEM-NN approach that approximates internal forces on a deforming solid body. The uncertainty estimator developed herein reliably infers upper bounds of bias/variance in the predictions for a wide range of interpolation and extrapolation cases using a three-element FEM-NN model of a bar undergoing plastic deformation. This proposed framework offers a powerful tool for assessing the reliability of physics-based surrogate models by establishing uncertainty estimates for predictions spanning a wide range of possible load cases.

An approach for the identification of discontinuous and nonsmooth nonlinear forces, as those generated by frictional contacts, in mechanical systems that can be approximated by a single-degree-of-freedom model is presented. To handle the sharp variations and multiple motion regimes introduced by these nonlinearities in the dynamic response, the partially known physics-based model and noisy measurements of the system’s response to a known input force are combined within a switching Gaussian process latent force model (GPLFM). In this grey-box framework, multiple Gaussian processes are used to model the unknown nonlinear force across different motion regimes and a resetting model enables the generation of discontinuities. The states of the system, nonlinear force, and regime transitions are inferred by using filtering and smoothing techniques for switching linear dynamical systems. The proposed switching GPLFM is applied to a simulated dry friction oscillator and an experimental setup consisting of a single-storey frame with a brass-to-steel contact. Excellent results are obtained in terms of the identified nonlinear and discontinuous friction force for varying: (i) normal load amplitudes in the contact; (ii) measurement noise levels, and (iii) number of samples in the datasets. Moreover, the identified states, friction force, and sequence of motion regimes are used for evaluating: (1) uncertain system parameters; (2) the friction force–velocity relationship, and (3) the static friction force. The correct identification of the discontinuous nonlinear force and the quantification of any remaining uncertainty in its prediction enable the implementation of an accurate forward model able to predict the system’s response to different input forces.

This paper studies the data-based polyhedron model and its application in uncertain linear optimization of engineering structures, especially in the absence of information either on probabilistic properties or about membership functions in the fussy sets-based approach, in which situation it is more appropriate to quantify the uncertainties by convex polyhedra. Firstly, we introduce the uncertainty quantification method of the convex polyhedron approach and the model modification method by Chebyshev inequality. Secondly, the characteristics of the optimal solution of convex polyhedron linear programming are investigated. Then the vertex solution of convex polyhedron linear programming is presented and proven. Next, the application of convex polyhedron linear programming in the static load-bearing capacity problem is introduced. Finally, the effectiveness of the vertex solution is verified by an example of the plane truss bearing problem, and the efficiency is verified by a load-bearing problem of stiffened composite plates.

The seismic response of a wide variety of structures, from small but irreplaceable museum exhibits to large bridge systems, is characterized by rocking. In addition, rocking motion is increasingly being used as a seismic protective strategy to limit the amount of seismic actions (moments) developed at the base of structures. However, rocking is a highly nonlinear phenomenon governed by non-smooth dynamic phases that make its prediction difficult. This study presents an alternative approach to rocking estimation based on a physics-informed convolutional neural network (PICNN). By training a group of PICNNs using limited datasets obtained from numerical simulations and encoding the known physics into the PICNNs, important predictive benefits are obtained relieving difficulties associated with over-fitting and minimizing the requirement for a large training database. Two models are created depending on the validation of the deep PICNN: the first model assumes that state variables including rotations and angular velocities are available, while the second model is useful when only acceleration measurements are known. The analysis is initiated by implementing K-means clustering. This is followed by a detailed statistical assessment and a comparative analysis of the response-histories of a rocking block. It is observed that the deep PICNN is capable of effectively estimating the seismic rocking response history when the rigid block does not overturn.

Development of robust concrete mixes with a lower environmental impact is challenging due to natural variability in constituent materials and a multitude of possible combinations of mix proportions. Making reliable property predictions with machine learning can facilitate performance-based specification of concrete, reducing material inefficiencies and improving the sustainability of concrete construction. In this work, we develop a machine learning algorithm that can utilize intermediate target variables and their associated noise to predict the final target variable. We apply the methodology to specify a concrete mix that has high resistance to carbonation, and another concrete mix that has low environmental impact. Both mixes also fulfill targets on the strength, density, and cost. The specified mixes are experimentally validated against their predictions. Our generic methodology enables the exploitation of noise in machine learning, which has a broad range of applications in structural engineering and beyond.

The intersection of physics and machine learning has given rise to the physics-enhanced machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the individual shortcomings of data- or physics-only methods. In this paper, the spectrum of PEML methods, expressed across the defining axes of physics and data, is discussed by engaging in a comprehensive exploration of its characteristics, usage, and motivations. In doing so, we present a survey of recent applications and developments of PEML techniques, revealing the potency of PEML in addressing complex challenges. We further demonstrate the application of select such schemes on the simple working example of a single degree-of-freedom Duffing oscillator, which allows to highlight the individual characteristics and motivations of different “genres” of PEML approaches. To promote collaboration and transparency, and to provide practical examples for the reader, the code generating these working examples is provided alongside this paper. As a foundational contribution, this paper underscores the significance of PEML in pushing the boundaries of scientific and engineering research, underpinned by the synergy of physical insights and machine learning capabilities.

Offshore wind turbines intend to take a rapidly growing share in the electric mix. The design, installation, and exploitation of these industrial assets are regulated by international standards, providing generic guidelines. Constantly, new projects reach unexploited wind resources, pushing back installation limits. Therefore, turbines are increasingly subject to uncertain environmental conditions, making long-term investment decisions riskier (at the design or end-of-life stage). Fortunately, numerical models of wind turbines enable to perform accurate multi-physics simulations of such systems when interacting with their environment. The challenge is then to propagate the input environmental uncertainties through these models and to analyze the distribution of output variables of interest. Since each call of such a numerical model can be costly, the estimation of statistical output quantities of interest (e.g., the mean value, the variance) has to be done with a restricted number of simulations. To do so, the present paper uses the kernel herding method as a sampling technique to perform Bayesian quadrature and estimate the fatigue damage. It is known from the literature that this method guarantees fast and accurate convergence together with providing relevant properties regarding subsampling and parallelization. Here, one numerically strengthens this fact by applying it to a real use case of an offshore wind turbine operating in Teesside, UK. Numerical comparison with crude and quasi-Monte Carlo sampling demonstrates the benefits one can expect from such a method. Finally, a new Python package has been developed and documented to provide quick open access to this uncertainty propagation method.

Physics-informed neural networks (PINNs), which are a recent development and incorporate physics-based knowledge into neural networks (NNs) in the form of constraints (e.g., displacement and force boundary conditions, and governing equations) or loss function, offer promise for generating digital twins of physical systems and processes. Although recent advances in PINNs have begun to address the challenges of structural health monitoring, significant issues remain unresolved, particularly in modeling the governing physics through partial differential equations (PDEs) under temporally variable loading. This paper investigates potential solutions to these challenges. Specifically, the paper will examine the performance of PINNs enforcing boundary conditions and utilizing sensor data from a limited number of locations within it, demonstrated through three case studies. Case Study 1 assumes a constant uniformly distributed load (UDL) and analyzes several setups of PINNs for four distinct simulated measurement cases obtained from a finite element model. In Case Study 2, the UDL is included as an input variable for the NNs. Results from these two case studies show that the modeling of the structure’s boundary conditions enables the PINNs to approximate the behavior of the structure without requiring satisfaction of the PDEs across the whole domain of the plate. In Case Study (3), we explore the efficacy of PINNs in a setting resembling real-world conditions, wherein the simulated measurment data incorporate deviations from idealized boundary conditions and contain measurement noise. Results illustrate that PINNs can effectively capture the overall physics of the system while managing deviations from idealized assumptions and data noise.

In passive seismic and microseismic monitoring, identifying and characterizing events in a strong noisy background is a challenging task. Most of the established methods for geophysical inversion are likely to yield many false event detections. The most advanced of these schemes require thousands of computationally demanding forward elastic-wave propagation simulations. Here we train and use an ensemble of Gaussian process surrogate meta-models, or proxy emulators, to accelerate the generation of accurate template seismograms from random microseismic event locations. In the presence of multiple microseismic events occurring at different spatial locations with arbitrary amplitude and origin time, and in the presence of noise, an inference algorithm needs to navigate an objective function or likelihood landscape of highly complex shape, perhaps with multiple modes and narrow curving degeneracies. This is a challenging computational task even for state-of-the-art Bayesian sampling algorithms. In this paper, we propose a novel method for detecting multiple microseismic events in a strong noise background using Bayesian inference, in particular, the Multimodal Nested Sampling (MultiNest) algorithm. The method not only provides the posterior samples for the 5D spatio-temporal-amplitude inference for the real microseismic events, by inverting the seismic traces in multiple surface receivers, but also computes the Bayesian evidence or the marginal likelihood that permits hypothesis testing for discriminating true vs. false event detection.

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 this article, a novel drive mode, “intelligent vehicle drive mode” (IVDM), was proposed, which augments the vehicle engine performance in real-time. This drive mode predicts the driver behavior vector (DBV), which optimizes the vehicle engine performance, and the metric of optimal vehicle engine performance was defined using the elements of engine operating point (EOP) and heating ventilation and air conditioning system (HVAC). Deep learning (DL) models were developed by mapping the vehicle level vectors (VLV) with EOP and HVAC parameters, and the trained functions were utilized to predict the future states of DBV reflecting augmented vehicle engine performance. The iterative analysis was performed by empirically estimating the future states of VLV in the allowable range of DBV and was fed into the DL model to predict the performance vectors. The defined vehicle engine performance metric was applied to the predicted vectors, and thus optimal DBV is the instantaneous output of the IVDM. The analytical and validation techniques were developed using field data obtained from General Motors Inc., Warren, Michigan. Finally, the proposed concept was quantified by analyzing the instantaneous engine efficiency (IEE) and smoothness measure of the instantaneous engine map (IEM).

This article illustrates the use of unsupervised probabilistic learning techniques for the analysis of planetary reentry trajectories. A three-degree-of-freedom model was employed to generate optimal trajectories that comprise the training datasets. The algorithm first extracts the intrinsic structure in the data via a diffusion map approach. We find that data resides on manifolds of much lower dimensionality compared to the high-dimensional state space that describes each trajectory. Using the diffusion coordinates on the graph of training samples, the probabilistic framework subsequently augments the original data with samples that are statistically consistent with the original set. The augmented samples are then used to construct conditional statistics that are ultimately assembled in a path planning algorithm. In this framework, the controls are determined stage by stage during the flight to adapt to changing mission objectives in real-time.

The increase in global population and urbanization is presenting significant challenges to society: space is becoming increasingly scarce, demand is exceeding capacity for deteriorating infrastructure, transportation is fraught with congestion, and environmental impacts are accelerating. Underground space, and particularly tunnels, has a key role to play in tackling these challenges. However, the cost, risk, uncertainty, and complexity of the tunneling process have impeded its growth. In this paper, we envision several technological advancements that can potentially innovate and transform the mechanized tunneling industry, including artificial intelligence (AI), autonomous, and bio-inspired systems. The proliferation of AI may assist human engineers and operators in making informed decisions systematically and quantitatively based on massive real-time data during tunneling. Autonomous tunneling systems may enable precise and predictable tunneling operations with minimal human intervention and facilitate the construction of massive and large-scale underground infrastructure projects that were previously challenging or unfeasible using conventional methods. Bio-inspired systems may provide valuable references and strategies for more efficient tunneling design and construction concepts. While these technological advancements can offer great promise, they also face considerable challenges, such as improving accessibility to and shareability of tunneling data, developing robust, reliable, and explainable machine learning systems, as well as scaling the mechanics and ensuring the applicability of bio-inspired systems from the prototype level to real-world applications. Addressing these challenges is imperative to ensure the successful implementation of these innovations for future tunneling.

Deep reinforcement learning (DRL) is promising for solving control problems in fluid mechanics, but it is a new field with many open questions. Possibilities are numerous and guidelines are rare concerning the choice of algorithms or best formulations for a given problem. Besides, DRL algorithms learn a control policy by collecting samples from an environment, which may be very costly when used with Computational Fluid Dynamics (CFD) solvers. Algorithms must therefore minimize the number of samples required for learning (sample efficiency) and generate a usable policy from each training (reliability). This paper aims to (a) evaluate three existing algorithms (DDPG, TD3, and SAC) on a fluid mechanics problem with respect to reliability and sample efficiency across a range of training configurations, (b) establish a fluid mechanics benchmark of increasing data collection cost, and (c) provide practical guidelines and insights for the fluid dynamics practitioner. The benchmark consists in controlling an airfoil to reach a target. The problem is solved with either a low-cost low-order model or with a high-fidelity CFD approach. The study found that DDPG and TD3 have learning stability issues highly dependent on DRL hyperparameters and reward formulation, requiring therefore significant tuning. In contrast, SAC is shown to be both reliable and sample efficient across a wide range of parameter setups, making it well suited to solve fluid mechanics problems and set up new cases without tremendous effort. In particular, SAC is resistant to small replay buffers, which could be critical if full-flow fields were to be stored.

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.

Multiphase segmentation of pore-scale features and identification of mineralogy from digital images of materials is critical for many applications in the natural resources sector. However, the materials involved (rocks, catalyst pellets, and synthetic alloys) have complex and unpredictable composition. Algorithms that can be extended for multiphase segmentation of images of these materials are relatively few and very human-intensive. Challenges lie in designing algorithms that are context free, can function with less training data, and can handle the unpredictability of material composition. Semisupervised algorithms have shown success in classification in situations characterized by limited training data; they use unlabeled data in addition to labeled data to produce classification. The segmentation obtained can be more accurate than fully supervised learning approaches. This work proposes using a semisupervised clustering algorithm named Continuous Iterative Guided Spectral Class Rejection (CIGSCR) toward multiphase segmentation of digital scans of materials. CIGSCR harnesses spectral cohesion, splitting the intensity histogram of the input image down into clusters. This splitting provides the foundation for classification strategies that can be implemented as postprocessing steps to get the final segmentation. One classification strategy is presented. Micro-computed tomography scans of rocks are used to present the results. It is demonstrated that CIGSCR successfully enables distinguishing features up to the uniqueness of grayscale values, and extracting features present in full image stacks (3D), including features not presented in the training data. Results including instances of success and limitations are presented. Scalability to data sizes $ \mathcal{O}\left({10}^9\right) $ voxels is briefly discussed.

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.

Population-based structural health monitoring (PBSHM) provides a means of accounting for inter-turbine correlations when solving the problem of wind farm anomaly detection. Across a wind farm, where a group of structures (turbines) is placed in close vicinity to each other, the environmental conditions and, thus, structural behavior vary in a spatiotemporal manner. Spatiotemporal trends are often overlooked in the existing data-based wind farm anomaly detection methods, because most current methods are designed for individual structures, that is, detecting anomalous behavior of a turbine based on the past behavior of the same turbine. In contrast, the idea of PBSHM involves sharing data across a population of structures and capturing the interactions between structures. This paper proposes a population-based anomaly detection method, specifically for a localized population of structures, which accounts for the spatiotemporal correlations in structural behavior. A case study from an offshore wind farm is given to demonstrate the potential of the proposed method as a wind farm performance indicator. It is concluded that the method has the potential to indicate operational anomalies caused by a range of factors across a wind farm. The method may also be useful for other tasks such as wind power and turbine load modeling.