Joseph P. Vantassel

Krishna Kumar, Joseph Vantassel

We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links connecting the nodes representing the local interaction between particles or clusters of particles. The GNS learns the interaction laws through message passing on the graph. GNS has three components: (a) Encoder, which embeds particle information to a latent graph, the edges are learned functions; (b) Processor, which allows data propagation and computes the nodal interactions across steps; and (c) Decoder, which extracts the relevant dynamics (e.g., particle acceleration) from the graph. We introduce physics-inspired simple inductive biases, such as an inertial frame that allows learning algorithms to prioritize one solution (constant gravitational acceleration) over another, reducing learning time. The GNS implementation uses semi-implicit Euler integration to update the next state based on the predicted accelerations. GNS trained on trajectory data is generalizable to predict particle kinematics in complex boundary conditions not seen during training. The trained model accurately predicts within a 5\% error of its associated material point method (MPM) simulation. The predictions are 5,000x faster than traditional MPM simulations (2.5 hours for MPM simulations versus 20 s for GNS simulation of granular flow). GNS surrogates are popular for solving optimization, control, critical-region prediction for in situ viz, and inverse-type problems. The GNS code is available under the open-source MIT license at https://github.com/geoelements/gns.

Aser Abbas, Joseph P. Vantassel, Brady R. Cox et al.

This paper presents a frequency-velocity convolutional neural network (CNN) for rapid, non-invasive 2D shear wave velocity (Vs) imaging of near-surface geo-materials. Operating in the frequency-velocity domain allows for significant flexibility in the linear-array, active-source experimental testing configurations used for generating the CNN input, which are normalized dispersion images. Unlike wavefield images, normalized dispersion images are relatively insensitive to the experimental testing configuration, accommodating various source types, source offsets, numbers of receivers, and receiver spacings. We demonstrate the effectiveness of the frequency-velocity CNN by applying it to a classic near-surface geophysics problem, namely, imaging a two-layer, undulating, soil-over-bedrock interface. This problem was recently investigated in our group by developing a time-distance CNN, which showed great promise but lacked flexibility in utilizing different field-testing configurations. Herein, the new frequency-velocity CNN is shown to have comparable accuracy to the time-distance CNN while providing greater flexibility to handle varied field applications. The frequency-velocity CNN was trained, validated, and tested using 100,000 synthetic near-surface models. The ability of the proposed frequency-velocity CNN to generalize across various acquisition configurations is first tested using synthetic near-surface models with different acquisition configurations from that of the training set, and then applied to experimental field data collected at the Hornsby Bend site in Austin, Texas, USA. When fully developed for a wider range of geological conditions, the proposed CNN may ultimately be used as a rapid, end-to-end alternative for current pseudo-2D surface wave imaging techniques or to develop starting models for full waveform inversion.

Krishna Kumar, Paul Navrátil, Andrew Solis et al.

In situ visualization techniques are hampered by a lack of foresight: crucial simulation phenomena can be missed due to a poor sampling rate or insufficient detail at critical timesteps. Keeping a human in the loop is impractical, and defining statistical triggers can be difficult. This paper demonstrates the potential for using a machine-learning-based simulation surrogate as an oracle to identify expected critical regions of a large-scale simulation. These critical regions are used to drive the in situ analysis, providing greater data fidelity and analysis resolution with an equivalent I/O budget to a traditional in situ framework. We develop a distributed asynchronous in situ visualization by integrating TACC Galaxy with CB-Geo MPM for material point simulation of granular flows. We employ a PyTorch-based 3D Graph Network Simulator (GNS) trained on granular flow problems as an oracle to predict the dynamics of granular flows. Critical regions of interests are manually tagged in GNS for in situ rendering in MPM.