HMOE: Hypernetwork-based Mixture of Experts for Domain Generalization

Due to the domain shift, machine learning systems typically fail to generalize well to domains different from those of training data, which is the problem that domain generalization (DG) aims to address. However, most mainstream DG algorithms lack interpretability and require domain labels, which are not available in many real-world scenarios. In this work, we propose a novel DG method, HMOE: Hypernetwork-based Mixture of Experts (MoE), that does not require domain labels and is more interpretable. We use hypernetworks to generate the weights of experts, allowing experts to share some useful meta-knowledge. MoE has proven adept at detecting and identifying heterogeneous patterns in data. For DG, heterogeneity exactly arises from the domain shift. We compare HMOE with other DG algorithms under a fair and unified benchmark-DomainBed. Extensive experiments show that HMOE can perform latent domain discovery from data of mixed domains and divide it into distinct clusters that are surprisingly more consistent with human intuition than original domain labels. Compared to other DG methods, HMOE shows competitive performance and achieves SOTA results in some cases without using domain labels.

PTFlash : A deep learning framework for isothermal two-phase equilibrium calculations

Phase equilibrium calculations are an essential part of numerical simulations of multi-component multi-phase flow in porous media, accounting for the largest share of the computational time. In this work, we introduce a GPUenabled, fast, and parallel framework, PTFlash, that vectorizes algorithms required for isothermal two-phase flash calculations using PyTorch, and can facilitate a wide range of downstream applications. In addition, to further accelerate PTFlash, we design two task-specific neural networks, one for predicting the stability of given mixtures and the other for providing estimates of the distribution coefficients, which are trained offline and help shorten computation time by sidestepping stability analysis and reducing the number of iterations to reach convergence. The evaluation of PTFlash was conducted on three case studies involving hydrocarbons, CO 2 and N 2 , for which the phase equilibrium was tested over a large range of temperature, pressure and composition conditions, using the Soave-Redlich-Kwong (SRK) equation of state. We compare PTFlash with an in-house thermodynamic library, Carnot, written in C++ and performing flash calculations one by one on CPU. Results show speed-ups on large scale calculations up to two order of magnitudes, while maintaining perfect precision with the reference solution provided by Carnot.

PTFlash: A deep learning framework for isothermal two-phase equilibrium calculations

Phase equilibrium calculations are an essential part of numerical simulations of multi-component multi-phase flow in porous media, accounting for the largest share of the computational time. In this work, we introduce a GPUenabled, fast, and parallel framework, PTFlash, that vectorizes algorithms required for isothermal two-phase flash calculations using PyTorch, and can facilitate a wide range of downstream applications. In addition, to further accelerate PTFlash, we design two task-specific neural networks, one for predicting the stability of given mixtures and the other for providing estimates of the distribution coefficients, which are trained offline and help shorten computation time by sidestepping stability analysis and reducing the number of iterations to reach convergence. The evaluation of PTFlash was conducted on three case studies involving hydrocarbons, CO$_2$ and N$_2$ , for which the phase equilibrium was tested over a large range of temperature, pressure and composition conditions, using the Soave-Redlich-Kwong (SRK) equation of state. We compare PTFlash with an in-house thermodynamic library, Carnot, written in C++ and performing flash calculations one by one on CPU. Results show speed-ups on large scale calculations up to two order of magnitudes, while maintaining perfect precision with the reference solution provided by Carnot.