Experiments in engineering are typically conducted in controlled environments where parameters can be set to any desired value. This assumes that the same applies in a real-world setting -- an assumption that is often incorrect as many experiments are influenced by uncontrollable environmental conditions such as temperature, humidity and wind speed. When optimising such experiments, the focus should lie on finding optimal values conditionally on these uncontrollable variables. This article extends Bayesian optimisation to the optimisation of systems in changing environments that include controllable and uncontrollable parameters. The extension fits a global surrogate model over all controllable and environmental variables but optimises only the controllable parameters conditional on measurements of the uncontrollable variables. The method is validated on two synthetic test functions and the effects of the noise level, the number of the environmental parameters, the parameter fluctuation, the variability of the uncontrollable parameters, and the effective domain size are investigated. ENVBO, the proposed algorithm resulting from this investigation, is applied to a wind farm simulator with eight controllable and one environmental parameter. ENVBO finds solutions for the full domain of the environmental variable that outperforms results from optimisation algorithms that only focus on a fixed environmental value in all but one case while using a fraction of their evaluation budget. This makes the proposed approach very sample-efficient and cost-effective. An off-the-shelf open-source version of ENVBO is available via the NUBO Python package.
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A wide range of applications in science and engineering involve a PDE model in a domain with perforations, such as perforated metals or air filters. Solving such perforated domain problems suffers from computational challenges related to resolving the scale imposed by the geometries of perforations. We propose a neural network-based mesh-free approach for perforated domain problems. The method is robust and efficient in capturing various configuration scales, including the averaged macroscopic behavior of the solution that involves a multiscale nature induced by small perforations. The new approach incorporates the derivative-free loss method that uses a stochastic representation or the Feynman-Kac formulation. In particular, we implement the Neumann boundary condition for the derivative-free loss method to handle the interface between the domain and perforations. A suite of stringent numerical tests is provided to support the proposed method's efficacy in handling various perforation scales.
Adaptiveness is a key principle in information processing including statistics and machine learning. We investigate the usefulness of adaptive methods in the framework of asymptotic binary hypothesis testing, when each hypothesis represents asymptotically many independent instances of a quantum channel, and the tests are based on using the unknown channel and observing outputs. Unlike the familiar setting of quantum states as hypotheses, there is a fundamental distinction between adaptive and non-adaptive strategies with respect to the channel uses, and we introduce a number of further variants of the discrimination tasks by imposing different restrictions on the test strategies. The following results are obtained: (1) We prove that for classical-quantum channels, adaptive and non-adaptive strategies lead to the same error exponents both in the symmetric (Chernoff) and asymmetric (Hoeffding, Stein) settings. (2) The first separation between adaptive and non-adaptive symmetric hypothesis testing exponents for quantum channels, which we derive from a general lower bound on the error probability for non-adaptive strategies; the concrete example we analyze is a pair of entanglement-breaking channels. (3)We prove, in some sense generalizing the previous statement, that for general channels adaptive strategies restricted to classical feed-forward and product state channel inputs are not superior in the asymptotic limit to non-adaptive product state strategies. (4) As an application of our findings, we address the discrimination power of an arbitrary quantum channel and show that adaptive strategies with classical feedback and no quantum memory at the input do not increase the discrimination power of the channel beyond non-adaptive tensor product input strategies.
When complex Bayesian models exhibit implausible behaviour, one solution is to assemble available information into an informative prior. Challenges arise as prior information is often only available for the observable quantity, or some model-derived marginal quantity, rather than directly pertaining to the natural parameters in our model. We propose a method for translating available prior information, in the form of an elicited distribution for the observable or model-derived marginal quantity, into an informative joint prior. Our approach proceeds given a parametric class of prior distributions with as yet undetermined hyperparameters, and minimises the difference between the supplied elicited distribution and corresponding prior predictive distribution. We employ a global, multi-stage Bayesian optimisation procedure to locate optimal values for the hyperparameters. Three examples illustrate our approach: a cure-fraction survival model, where censoring implies that the observable quantity is a priori a mixed discrete/continuous quantity; a setting in which prior information pertains to $R^{2}$ -- a model-derived quantity; and a nonlinear regression model.
Predictions in the form of probability distributions are crucial for decision-making. Quantile regression enables this within spatial interpolation settings for merging remote sensing and gauge precipitation data. However, ensemble learning of quantile regression algorithms remains unexplored in this context. Here, we address this gap by introducing nine quantile-based ensemble learners and applying them to large precipitation datasets. We employed a novel feature engineering strategy, reducing predictors to distance-weighted satellite precipitation at relevant locations, combined with location elevation. Our ensemble learners include six stacking and three simple methods (mean, median, best combiner), combining six individual algorithms: quantile regression (QR), quantile regression forests (QRF), generalized random forests (GRF), gradient boosting machines (GBM), light gradient boosting machines (LightGBM), and quantile regression neural networks (QRNN). These algorithms serve as both base learners and combiners within different stacking methods. We evaluated performance against QR using quantile scoring functions in a large dataset comprising 15 years of monthly gauge-measured and satellite precipitation in contiguous US (CONUS). Stacking with QR and QRNN yielded the best results across quantile levels of interest (0.025, 0.050, 0.075, 0.100, 0.200, 0.300, 0.400, 0.500, 0.600, 0.700, 0.800, 0.900, 0.925, 0.950, 0.975), surpassing the reference method by 3.91% to 8.95%. This demonstrates the potential of stacking to improve probabilistic predictions in spatial interpolation and beyond.
In many circumstances given an ordered sequence of one or more types of elements/ symbols, the objective is to determine any existence of randomness in occurrence of one of the elements,say type 1 element. Such a method can be useful in determining existence of any non-random pattern in the wins or loses of a player in a series of games played. Existing methods of tests based on total number of runs or tests based on length of longest run (Mosteller (1941)) can be used for testing the null hypothesis of randomness in the entire sequence, and not a specific type of element. Additionally, the Runs Test tends to show results contradictory to the intuition visualised by the graphs of say, win proportions over time due to method used in computation of runs. This paper develops a test approach to address this problem by computing the gaps between two consecutive type 1 elements and thereafter following the idea of "pattern" in occurrence and "directional" trend (increasing, decreasing or constant), employs the use of exact Binomial test, Kenall's Tau and Siegel-Tukey test for scale problem. Further modifications suggested by Jan Vegelius(1982) have been applied in the Siegel Tukey test to adjust for tied ranks and achieve more accurate results. This approach is distribution-free and suitable for small sizes. Also comparisons with the conventional runs test shows the superiority of the proposed approach under the null hypothesis of randomness in the occurrence of type 1 elements.
Causal generative modelling is gaining interest in medical imaging due to its ability to answer interventional and counterfactual queries. Most work focuses on generating counterfactual images that look plausible, using auxiliary classifiers to enforce effectiveness of simulated interventions. We investigate pitfalls in this approach, discovering the issue of attribute amplification, where unrelated attributes are spuriously affected during interventions, leading to biases across protected characteristics and disease status. We show that attribute amplification is caused by the use of hard labels in the counterfactual training process and propose soft counterfactual fine-tuning to mitigate this issue. Our method substantially reduces the amplification effect while maintaining effectiveness of generated images, demonstrated on a large chest X-ray dataset. Our work makes an important advancement towards more faithful and unbiased causal modelling in medical imaging.
In the present work, a new methodology is proposed for building surrogate parametric models of engineering systems based on modular assembly of pre-solved modules. Each module is a generic parametric solution considering parametric geometry, material and boundary conditions. By assembling these modules and satisfying continuity constraints at the interfaces, a parametric surrogate model of the full problem can be obtained. In the present paper, the PGD technique in connection with NURBS geometry representation is used to create a parametric model for each module. In this technique, the NURBS objects allow to map the governing boundary value problem from a parametric non-regular domain into a regular reference domain and the PGD is used to create a reduced model in the reference domain. In the assembly stage, an optimization problem is solved to satisfy the continuity constraints at the interfaces. The proposed procedure is based on the offline--online paradigm: the offline stage consists of creating multiple pre-solved modules which can be afterwards assembled in almost real-time during the online stage, enabling quick evaluations of the full system response. To show the potential of the proposed approach some numerical examples in heat conduction and structural plates under bending are presented.
Marginal structural models have been increasingly used by analysts in recent years to account for confounding bias in studies with time-varying treatments. The parameters of these models are often estimated using inverse probability of treatment weighting. To ensure that the estimated weights adequately control confounding, it is possible to check for residual imbalance between treatment groups in the weighted data. Several balance metrics have been developed and compared in the cross-sectional case but have not yet been evaluated and compared in longitudinal studies with time-varying treatment. We have first extended the definition of several balance metrics to the case of a time-varying treatment, with or without censoring. We then compared the performance of these balance metrics in a simulation study by assessing the strength of the association between their estimated level of imbalance and bias. We found that the Mahalanobis balance performed best.Finally, the method was illustrated for estimating the cumulative effect of statins exposure over one year on the risk of cardiovascular disease or death in people aged 65 and over in population-wide administrative data. This illustration confirms the feasibility of employing our proposed metrics in large databases with multiple time-points.
Data augmentation is arguably the most important regularization technique commonly used to improve generalization performance of machine learning models. It primarily involves the application of appropriate data transformation operations to create new data samples with desired properties. Despite its effectiveness, the process is often challenging because of the time-consuming trial and error procedures for creating and testing different candidate augmentations and their hyperparameters manually. Automated data augmentation methods aim to automate the process. State-of-the-art approaches typically rely on automated machine learning (AutoML) principles. This work presents a comprehensive survey of AutoML-based data augmentation techniques. We discuss various approaches for accomplishing data augmentation with AutoML, including data manipulation, data integration and data synthesis techniques. We present extensive discussion of techniques for realizing each of the major subtasks of the data augmentation process: search space design, hyperparameter optimization and model evaluation. Finally, we carried out an extensive comparison and analysis of the performance of automated data augmentation techniques and state-of-the-art methods based on classical augmentation approaches. The results show that AutoML methods for data augmentation currently outperform state-of-the-art techniques based on conventional approaches.
Existing schemes for demonstrating quantum computational advantage are subject to various practical restrictions, including the hardness of verification and challenges in experimental implementation. Meanwhile, analog quantum simulators have been realized in many experiments to study novel physics. In this work, we propose a quantum advantage protocol based on single-step Feynman-Kitaev verification of an analog quantum simulation, in which the verifier need only run an $O(\lambda^2)$-time classical computation, and the prover need only prepare $O(1)$ samples of a history state and perform $O(\lambda^2)$ single-qubit measurements, for a security parameter $\lambda$. We also propose a near-term feasible strategy for honest provers and discuss potential experimental realizations.
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