arXiv subjects

Diederik Jacques

Publications and source records attributed to Diederik Jacques.

5 recordsLinked to original sources

arXiv2021

Speeding up reactive transport simulations in cement systems by surrogate geochemical modeling: deep neural networks and k-nearest neighbors

We accelerate reactive transport (RT) simulation by replacing the geochemical solver in the RT code by a surrogate model or emulator, considering either a trained deep neural network (DNN) or a k-nearest neighbor (kNN) regressor. We focus on 2D leaching of hardened cement paste under diffusive or advective-dispersive transport conditions, a solid solution representation of the calcium silicate hydrates and either 4 or 7 chemical components, and use the HPx (coupled Hydrus-PHREEQC model) reactive transport code as baseline. We find that after training, both our DNN-based and kNN-based codes, HPx-DNN and HPx-kNN, can make satisfactorily to very accurate predictions while providing either a 3 to 9 speedup factor compared to HPx with parallelized geochemical calculations over 4 cores. Benchmarking against single-threaded HPx, these speedup factors become 8 to 33. Overall, HPx-DNN are HPx-kNN are found to achieve a close to optimal speedup when DNN regression and kNN search are performed on a GPU. Importantly, for the more complex 7-components cement system, no emulator that is globally accurate over the full space of possible geochemical conditions could be devised. Instead we therefore build "local" emulators that are only valid over a relevant fraction of the input parameter space. This space is identified by running a coarse and thus computationally cheap full RT simulation, and subsequently explored by kernel density sampling. Future work will focus on improving accuracy for this type of cement systems.

physics.chem-ph↗

arXiv2020

Approaching geoscientific inverse problems with vector-to-image domain transfer networks

We present vec2pix, a deep neural network designed to predict categorical or continuous 2D subsurface property fields from one-dimensional measurement data (e.g., time series), thereby offering a new approach to solve inverse problems. The performance of the method is investigated through two types of synthetic inverse problems: (a) a crosshole ground penetrating radar (GPR) tomography experiment with GPR travel times being used to infer a 2D velocity field, and (2) a multi-well pumping experiment within an unconfined aquifer with time series of transient hydraulic heads being used to retrieve a 2D hydraulic conductivity field. For each type of problem, both a multi-Gaussian and a binary channelized subsurface domain with long-range connectivity are considered. Using a training set of 20,000 examples (implying as many forward model evaluations), the method is found to recover a 2D model that is in much closer agreement with the true model than the closest training model in the forward-simulated data space. Further testing with smaller training sample sizes shows only a moderate reduction in performance when using 5000 training examples only. Even if the recovered models are visually close to the true ones, the data misfits associated with their forward responses are generally larger than the noise level used to contaminate the true data. Uncertainty of the inverse solution is partially assessed using deep ensembles, in which the network is trained repeatedly with random initialization. Overall, this study advances understanding of how to use deep learning to infer subsurface models from indirect measurement data.

physics.geo-ph↗

arXiv2019

Emulation of CPU-demanding reactive transport models: comparison of Gaussian processes, polynomial chaos expansion and deep neural networks

This paper presents a detailed comparison between 3 methods for emulating CPU-intensive reactive transport models (RTMs): Gaussian processes (GPs), polynomial chaos expansion (PCE) and deep neural networks (DNNs). Besides direct emulation of the simulated uranium concentration time series, replacing the original RTM by its emulator is also investigated for global sensitivity analysis (GSA), uncertainty propagation (UP) and probabilistic calibration using Markov chain Monte Carlo (MCMC) sampling. The selected DNN is found to be superior to both GPs and PCE in reproducing the input - output behavior of the considered 8-dimensional and 13-dimensional CPU-intensive RTMs. Furthermore, the two used PCE variants: standard PCE and sparse PCE (sPCE) appear to always provide the least accuracy while not differing much in performance. As a consequence of its better emulation capabilities, the used DNN outperforms the two other methods for UP. In addition, DNNs and GPs offer equally good approximations to the true first-order and total-order Sobol sensitivity indices while PCE does somewhat less well. Most surprisingly, despite its superior emulation skills the DNN approach leads to the worst solution of the considered synthetic inverse problem which involves 1224 measurement data with low noise. This apparently contradicting behavior is at least partially due to the small but complicated deterministic noise that affects the DNN-based predictions. Indeed, this complex error structure can drive the emulated solutions far away from the true posterior distribution. Overall, our findings indicate that when the available training set is relatively small (75 - to 500 input - output examples) and fixed beforehand, DNNs can well emulate RTMs but are not suited to emulation-based inversion. In contrast, GPs perform fairly well across all considered tasks: direct emulation, GSA, UP, and inversion.

physics.comp-ph↗

arXiv2019

Training-image based geostatistical inversion using a spatial generative adversarial neural network

Probabilistic inversion within a multiple-point statistics framework is often computationally prohibitive for high-dimensional problems. To partly address this, we introduce and evaluate a new training-image based inversion approach for complex geologic media. Our approach relies on a deep neural network of the generative adversarial network (GAN) type. After training using a training image (TI), our proposed spatial GAN (SGAN) can quickly generate 2D and 3D unconditional realizations. A key characteristic of our SGAN is that it defines a (very) low-dimensional parameterization, thereby allowing for efficient probabilistic inversion using state-of-the-art Markov chain Monte Carlo (MCMC) methods. In addition, available direct conditioning data can be incorporated within the inversion. Several 2D and 3D categorical TIs are first used to analyze the performance of our SGAN for unconditional geostatistical simulation. Training our deep network can take several hours. After training, realizations containing a few millions of pixels/voxels can be produced in a matter of seconds. This makes it especially useful for simulating many thousands of realizations (e.g., for MCMC inversion) as the relative cost of the training per realization diminishes with the considered number of realizations. Synthetic inversion case studies involving 2D steady-state flow and 3D transient hydraulic tomography with and without direct conditioning data are used to illustrate the effectiveness of our proposed SGAN-based inversion. For the 2D case, the inversion rapidly explores the posterior model distribution. For the 3D case, the inversion recovers model realizations that fit the data close to the target level and visually resemble the true model well.

stat.ML↗

arXiv2017

Inversion using a new low-dimensional representation of complex binary geological media based on a deep neural network

Efficient and high-fidelity prior sampling and inversion for complex geological media is still a largely unsolved challenge. Here, we use a deep neural network of the variational autoencoder type to construct a parametric low-dimensional base model parameterization of complex binary geological media. For inversion purposes, it has the attractive feature that random draws from an uncorrelated standard normal distribution yield model realizations with spatial characteristics that are in agreement with the training set. In comparison with the most commonly used parametric representations in probabilistic inversion, we find that our dimensionality reduction (DR) approach outperforms principle component analysis (PCA), optimization-PCA (OPCA) and discrete cosine transform (DCT) DR techniques for unconditional geostatistical simulation of a channelized prior model. For the considered examples, important compression ratios (200 - 500) are achieved. Given that the construction of our parameterization requires a training set of several tens of thousands of prior model realizations, our DR approach is more suited for probabilistic (or deterministic) inversion than for unconditional (or point-conditioned) geostatistical simulation. Probabilistic inversions of 2D steady-state and 3D transient hydraulic tomography data are used to demonstrate the DR-based inversion. For the 2D case study, the performance is superior compared to current state-of-the-art multiple-point statistics inversion by sequential geostatistical resampling (SGR). Inversion results for the 3D application are also encouraging.

stat.ML↗