Hyung Ju Hwang

Hwijae Son, Sung Woong Cho, Hyung Ju Hwang

Physics-Informed Neural Networks (PINNs) have become a prominent application of deep learning in scientific computation, as they are powerful approximators of solutions to nonlinear partial differential equations (PDEs). There have been numerous attempts to facilitate the training process of PINNs by adjusting the weight of each component of the loss function, called adaptive loss-balancing algorithms. In this paper, we propose an Augmented Lagrangian relaxation method for PINNs (AL-PINNs). We treat the initial and boundary conditions as constraints for the optimization problem of the PDE residual. By employing Augmented Lagrangian relaxation, the constrained optimization problem becomes a sequential max-min problem so that the learnable parameters $λ$ adaptively balance each loss component. Our theoretical analysis reveals that the sequence of minimizers of the proposed loss functions converges to an actual solution for the Helmholtz, viscous Burgers, and Klein--Gordon equations. We demonstrate through various numerical experiments that AL-PINNs yield a much smaller relative error compared with that of state-of-the-art adaptive loss-balancing algorithms.

Jae Yong Lee, Juhi Jang, Hyung Ju Hwang

We propose a hybrid framework opPINN: physics-informed neural network (PINN) with operator learning for approximating the solution to the Fokker-Planck-Landau (FPL) equation. The opPINN framework is divided into two steps: Step 1 and Step 2. After the operator surrogate models are trained during Step 1, PINN can effectively approximate the solution to the FPL equation during Step 2 by using the pre-trained surrogate models. The operator surrogate models greatly reduce the computational cost and boost PINN by approximating the complex Landau collision integral in the FPL equation. The operator surrogate models can also be combined with the traditional numerical schemes. It provides a high efficiency in computational time when the number of velocity modes becomes larger. Using the opPINN framework, we provide the neural network solutions for the FPL equation under the various types of initial conditions, and interaction models in two and three dimensions. Furthermore, based on the theoretical properties of the FPL equation, we show that the approximated neural network solution converges to the a priori classical solution of the FPL equation as the pre-defined loss function is reduced.

Jae Yong Lee, Sung Woong Cho, Hyung Ju Hwang

Fast and accurate predictions for complex physical dynamics are a significant challenge across various applications. Real-time prediction on resource-constrained hardware is even more crucial in real-world problems. The deep operator network (DeepONet) has recently been proposed as a framework for learning nonlinear mappings between function spaces. However, the DeepONet requires many parameters and has a high computational cost when learning operators, particularly those with complex (discontinuous or non-smooth) target functions. This study proposes HyperDeepONet, which uses the expressive power of the hypernetwork to enable the learning of a complex operator with a smaller set of parameters. The DeepONet and its variant models can be thought of as a method of injecting the input function information into the target function. From this perspective, these models can be viewed as a particular case of HyperDeepONet. We analyze the complexity of DeepONet and conclude that HyperDeepONet needs relatively lower complexity to obtain the desired accuracy for operator learning. HyperDeepONet successfully learned various operators with fewer computational resources compared to other benchmarks.

Sung Woong Cho, Jae Yong Lee, Hyung Ju Hwang

Scientific computing using deep learning has seen significant advancements in recent years. There has been growing interest in models that learn the operator from the parameters of a partial differential equation (PDE) to the corresponding solutions. Deep Operator Network (DeepONet) and Fourier Neural operator, among other models, have been designed with structures suitable for handling functions as inputs and outputs, enabling real-time predictions as surrogate models for solution operators. There has also been significant progress in the research on surrogate models based on graph neural networks (GNNs), specifically targeting the dynamics in time-dependent PDEs. In this paper, we propose GraphDeepONet, an autoregressive model based on GNNs, to effectively adapt DeepONet, which is well-known for successful operator learning. GraphDeepONet exhibits robust accuracy in predicting solutions compared to existing GNN-based PDE solver models. It maintains consistent performance even on irregular grids, leveraging the advantages inherited from DeepONet and enabling predictions on arbitrary grids. Additionally, unlike traditional DeepONet and its variants, GraphDeepONet enables time extrapolation for time-dependent PDE solutions. We also provide theoretical analysis of the universal approximation capability of GraphDeepONet in approximating continuous operators across arbitrary time intervals.

Jae Yong Lee, Gwang Jae Jung, Byung Chan Lim et al.

The Boltzmann equation, a fundamental model in kinetic theory, describes the evolution of particle distribution functions through a nonlinear, high-dimensional collision operator. However, its numerical solution remains computationally demanding, particularly for inelastic collisions and high-dimensional velocity domains. In this work, we propose the Fourier Neural Spectral Network (FourierSpecNet), a hybrid framework that integrates the Fourier spectral method with deep learning to approximate the collision operator in Fourier space efficiently. FourierSpecNet achieves resolution-invariant learning and supports zero-shot super-resolution, enabling accurate predictions at unseen resolutions without retraining. Beyond empirical validation, we establish a consistency result showing that the trained operator converges to the spectral solution as the discretization is refined. We evaluate our method on several benchmark cases, including Maxwellian and hard-sphere molecular models, as well as inelastic collision scenarios. The results demonstrate that FourierSpecNet offers competitive accuracy while significantly reducing computational cost compared to traditional spectral solvers. Our approach provides a robust and scalable alternative for solving the Boltzmann equation across both elastic and inelastic regimes.

Hyunwoo Cho, Sung Woong Cho, Hyeontae Jo et al.

Differential equations (DEs) are crucial for modeling the evolution of natural or engineered systems. Traditionally, the parameters in DEs are adjusted to fit data from system observations. However, in fields such as politics, economics, and biology, available data are often independently collected at distinct time points from different subjects (i.e., repeated cross-sectional (RCS) data). Conventional optimization techniques struggle to accurately estimate DE parameters when RCS data exhibit various heterogeneities, leading to a significant loss of information. To address this issue, we propose a new estimation method called the emulator-informed deep-generative model (EIDGM), designed to handle RCS data. Specifically, EIDGM integrates a physics-informed neural network-based emulator that immediately generates DE solutions and a Wasserstein generative adversarial network-based parameter generator that can effectively mimic the RCS data. We evaluated EIDGM on exponential growth, logistic population models, and the Lorenz system, demonstrating its superior ability to accurately capture parameter distributions. Additionally, we applied EIDGM to an experimental dataset of Amyloid beta 40 and beta 42, successfully capturing diverse parameter distribution shapes. This shows that EIDGM can be applied to model a wide range of systems and extended to uncover the operating principles of systems based on limited data.

Hyunwoo Cho, Hyeontae Jo, Hyung Ju Hwang

System inference for nonlinear dynamic models, represented by ordinary differential equations (ODEs), remains a significant challenge in many fields, particularly when the data are noisy, sparse, or partially observable. In this paper, we propose a Simulation-based Generative Model for Imperfect Data (SiGMoID) that enables precise and robust inference for dynamic systems. The proposed approach integrates two key methods: (1) physics-informed neural networks with hyper-networks that constructs an ODE solver, and (2) Wasserstein generative adversarial networks that estimates ODE parameters by effectively capturing noisy data distributions. We demonstrate that SiGMoID quantifies data noise, estimates system parameters, and infers unobserved system components. Its effectiveness is validated validated through realistic experimental examples, showcasing its broad applicability in various domains, from scientific research to engineered systems, and enabling the discovery of full system dynamics.

Hyeontae Jo, Sung Woong Cho, Hyung Ju Hwang

Differential equations are pivotal in modeling and understanding the dynamics of various systems, offering insights into their future states through parameter estimation fitted to time series data. In fields such as economy, politics, and biology, the observation data points in the time series are often independently obtained (i.e., Repeated Cross-Sectional (RCS) data). With RCS data, we found that traditional methods for parameter estimation in differential equations, such as using mean values of time trajectories or Gaussian Process-based trajectory generation, have limitations in estimating the shape of parameter distributions, often leading to a significant loss of data information. To address this issue, we introduce a novel method, Estimation of Parameter Distribution (EPD), providing accurate distribution of parameters without loss of data information. EPD operates in three main steps: generating synthetic time trajectories by randomly selecting observed values at each time point, estimating parameters of a differential equation that minimize the discrepancy between these trajectories and the true solution of the equation, and selecting the parameters depending on the scale of discrepancy. We then evaluated the performance of EPD across several models, including exponential growth, logistic population models, and target cell-limited models with delayed virus production, demonstrating its superiority in capturing the shape of parameter distributions. Furthermore, we applied EPD to real-world datasets, capturing various shapes of parameter distributions rather than a normal distribution. These results effectively address the heterogeneity within systems, marking a substantial progression in accurately modeling systems using RCS data.

Namkyeong Cho, Junseung Ryu, Hyung Ju Hwang

This study investigates the impact of Sobolev Training on operator learning frameworks for improving model performance. Our research reveals that integrating derivative information into the loss function enhances the training process, and we propose a novel framework to approximate derivatives on irregular meshes in operator learning. Our findings are supported by both experimental evidence and theoretical analysis. This demonstrates the effectiveness of Sobolev Training in approximating the solution operators between infinite-dimensional spaces.

Jin Young Shin, Jae Yong Lee, Hyung Ju Hwang

Learning the mapping between two function spaces has garnered considerable research attention. However, learning the solution operator of partial differential equations (PDEs) remains a challenge in scientific computing. Fourier neural operator (FNO) was recently proposed to learn solution operators, and it achieved an excellent performance. In this study, we propose a novel \textit{pseudo-differential integral operator} (PDIO) to analyze and generalize the Fourier integral operator in FNO. PDIO is inspired by a pseudo-differential operator, which is a generalized differential operator characterized by a certain symbol. We parameterize this symbol using a neural network and demonstrate that the neural network-based symbol is contained in a smooth symbol class. Subsequently, we verify that the PDIO is a bounded linear operator, and thus is continuous in the Sobolev space. We combine the PDIO with the neural operator to develop a \textit{pseudo-differential neural operator} (PDNO) and learn the nonlinear solution operator of PDEs. We experimentally validate the effectiveness of the proposed model by utilizing Darcy flow and the Navier-Stokes equation. The obtained results indicate that the proposed PDNO outperforms the existing neural operator approaches in most experiments.

Rakhoon Hwang, Jae Yong Lee, Jin Young Shin et al.

The modeling and control of complex physical systems are essential in real-world problems. We propose a novel framework that is generally applicable to solving PDE-constrained optimal control problems by introducing surrogate models for PDE solution operators with special regularizers. The procedure of the proposed framework is divided into two phases: solution operator learning for PDE constraints (Phase 1) and searching for optimal control (Phase 2). Once the surrogate model is trained in Phase 1, the optimal control can be inferred in Phase 2 without intensive computations. Our framework can be applied to both data-driven and data-free cases. We demonstrate the successful application of our method to various optimal control problems for different control variables with diverse PDE constraints from the Poisson equation to Burgers' equation.

Min Sue Park, Hyeontae Jo, Haeun Lee et al.

A prompt severity assessment model of patients confirmed for having infectious diseases could enable efficient diagnosis while alleviating burden on the medical system. This study aims to develop a SARS-CoV-2 severity assessment model and establish a medical system that allows patients to check the severity of their cases and informs them to visit the appropriate clinic center based on past treatment data of other patients with similar severity levels. This paper provides the development processes of a severity assessment model using machine learning techniques and its application on SARS-CoV-2 patients. The proposed model is trained on a nationwide dataset provided by a Korean government agency and only requires patients' basic personal data, allowing them to judge the severity of their own cases. After modeling, the boosting-based decision tree model was selected as the classifier while mortality rate was interpreted as the probability score. The dataset was collected from all Korean citizens who were confirmed with COVID-19 between February, 2020 and July, 2021. The experiments achieved high model performance with an approximate precision of $0{\cdot}923$ and AUROC score of $0{\cdot}950$ [$95$% Tolerance Interval $0{\cdot}940$-$0{\cdot}958$, $95$% Confidence Interval $0{\cdot}949$-$0{\cdot}950$]. Moreover, our experiments identified the most important variables affecting the severity in the model via sensitivity analysis. The prompt severity assessment model for managing infectious people has been attained through using a nationwide dataset. It has demonstrated its superior performance by surpassing that of conventional risk assessments. With the model's high performance and easily accessible features, the triage algorithm is expected to be particularly useful when patients monitor their health status by themselves through smartphone applications.

Hyung Ju Hwang, Hwijae Son

In this paper, we propose a novel conservative formulation for solving kinetic equations via neural networks. More precisely, we formulate the learning problem as a constrained optimization problem with constraints that represent the physical conservation laws. The constraints are relaxed toward the residual loss function by the Lagrangian duality. By imposing physical conservation properties of the solution as constraints of the learning problem, we demonstrate far more accurate approximations of the solutions in terms of errors and the conservation laws, for the kinetic Fokker-Planck equation and the homogeneous Boltzmann equation.

Jin young Shin, Cheolhyeong Kim, Hyung Ju Hwang

Active inference may be defined as Bayesian modeling of a brain with a biologically plausible model of the agent. Its primary idea relies on the free energy principle and the prior preference of the agent. An agent will choose an action that leads to its prior preference for a future observation. In this paper, we claim that active inference can be interpreted using reinforcement learning (RL) algorithms and find a theoretical connection between them. We extend the concept of expected free energy (EFE), which is a core quantity in active inference, and claim that EFE can be treated as a negative value function. Motivated by the concept of prior preference and a theoretical connection, we propose a simple but novel method for learning a prior preference from experts. This illustrates that the problem with inverse RL can be approached with a new perspective of active inference. Experimental results of prior preference learning show the possibility of active inference with EFE-based rewards and its application to an inverse RL problem.

Jae Yong Lee, Jin Woo Jang, Hyung Ju Hwang

The model reduction of a mesoscopic kinetic dynamics to a macroscopic continuum dynamics has been one of the fundamental questions in mathematical physics since Hilbert's time. In this paper, we consider a diagram of the diffusion limit from the Vlasov-Poisson-Fokker-Planck (VPFP) system on a bounded interval with the specular reflection boundary condition to the Poisson-Nernst-Planck (PNP) system with the no-flux boundary condition. We provide a Deep Learning algorithm to simulate the VPFP system and the PNP system by computing the time-asymptotic behaviors of the solution and the physical quantities. We analyze the convergence of the neural network solution of the VPFP system to that of the PNP system via the Asymptotic-Preserving (AP) scheme. Also, we provide several theoretical evidence that the Deep Neural Network (DNN) solutions to the VPFP and the PNP systems converge to the a priori classical solutions of each system if the total loss function vanishes.

Taehyun Kim, Hyomin Shin, Hyung Ju Hwang et al.

Steemit is a blockchain-based social media platform, where authors can get author rewards in the form of cryptocurrencies called STEEM and SBD (Steem Blockchain Dollars) if their posts are upvoted. Interestingly, curators (or voters) can also get rewards by voting others' posts, which is called a curation reward. A reward is proportional to a curator's STEEM stakes. Throughout this process, Steemit hopes "good" content will be automatically discovered by users in a decentralized way, which is known as the Proof-of-Brain (PoB). However, there are many bot accounts programmed to post automatically and get rewards, which discourages real human users from creating good content. We call this type of bot a posting bot. While there are many papers that studied bots on traditional centralized social media platforms such as Facebook and Twitter, we are the first to study posting bots on a blockchain-based social media platform. Compared with the bot detection on the usual social media platforms, the features we created have an advantage that posting bots can be detected without limiting the number or length of posts. We can extract the features of posts by clustering distances between blog data or replies. These features are obtained from the Minimum Average Cluster from Clustering Distance between Frequent words and Articles (MAC-CDFA), which is not used in any of the previous social media research. Based on the enriched features, we enhanced the quality of classification tasks. Comparing the F1-scores, the features we created outperformed the features used for bot detection on Facebook and Twitter.

Hyung Ju Hwang, Jin Woo Jang, Hyeontae Jo et al.

The issue of the relaxation to equilibrium has been at the core of the kinetic theory of rarefied gas dynamics. In the paper, we introduce the Deep Neural Network (DNN) approximated solutions to the kinetic Fokker-Planck equation in a bounded interval and study the large-time asymptotic behavior of the solutions and other physically relevant macroscopic quantities. We impose the varied types of boundary conditions including the inflow-type and the reflection-type boundaries as well as the varied diffusion and friction coefficients and study the boundary effects on the asymptotic behaviors. These include the predictions on the large-time behaviors of the pointwise values of the particle distribution and the macroscopic physical quantities including the total kinetic energy, the entropy, and the free energy. We also provide the theoretical supports for the pointwise convergence of the neural network solutions to the \textit{a priori} analytic solutions. We use the library \textit{PyTorch}, the activation function \textit{tanh} between layers, and the \textit{Adam} optimizer for the Deep Learning algorithm.

Rakhoon Hwang, Hanjin Lee, Hyung Ju Hwang

Reinforcement learning in complex environments is a challenging problem. In particular, the success of reinforcement learning algorithms depends on a well-designed reward function. Inverse reinforcement learning (IRL) solves the problem of recovering reward functions from expert demonstrations. In this paper, we solve a hierarchical inverse reinforcement learning problem within the options framework, which allows us to utilize intrinsic motivation of the expert demonstrations. A gradient method for parametrized options is used to deduce a defining equation for the Q-feature space, which leads to a reward feature space. Using a second-order optimality condition for option parameters, an optimal reward function is selected. Experimental results in both discrete and continuous domains confirm that our recovered rewards provide a solution to the IRL problem using temporal abstraction, which in turn are effective in accelerating transfer learning tasks. We also show that our method is robust to noises contained in expert demonstrations.

Cheolhyeong Kim, Haeseong Moon, Hyung Ju Hwang

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN algorithms are based on neural message passing, which enables GNNs to integrate local structures and node features recursively. However, past GNN algorithms based on 1-hop neighborhood neural message passing are exposed to a risk of loss of information on local structures and relationships. In this paper, we propose Neighborhood Edge AggregatoR (NEAR), a framework that aggregates relations between the nodes in the neighborhood via edges. NEAR, which can be orthogonally combined with Graph Isomorphism Network (GIN), gives integrated information that describes which nodes in the neighborhood are connected. Therefore, NEAR can reflect additional information of a local structure of each node beyond the nodes themselves in 1-hop neighborhood. Experimental results on multiple graph classification tasks show that our algorithm makes a good improvement over other existing 1-hop based GNN-based algorithms.

Hyeontae Jo, Hwijae Son, Hyung Ju Hwang et al.

In this paper, we construct approximated solutions of Differential Equations (DEs) using the Deep Neural Network (DNN). Furthermore, we present an architecture that includes the process of finding model parameters through experimental data, the inverse problem. That is, we provide a unified framework of DNN architecture that approximates an analytic solution and its model parameters simultaneously. The architecture consists of a feed forward DNN with non-linear activation functions depending on DEs, automatic differentiation, reduction of order, and gradient based optimization method. We also prove theoretically that the proposed DNN solution converges to an analytic solution in a suitable function space for fundamental DEs. Finally, we perform numerical experiments to validate the robustness of our simplistic DNN architecture for 1D transport equation, 2D heat equation, 2D wave equation, and the Lotka-Volterra system.

Cheolhyeong Kim, Seungtae Park, Hyung Ju Hwang

Wasserstein GAN(WGAN) is a model that minimizes the Wasserstein distance between a data distribution and sample distribution. Recent studies have proposed stabilizing the training process for the WGAN and implementing the Lipschitz constraint. In this study, we prove the local stability of optimizing the simple gradient penalty $μ$-WGAN(SGP $μ$-WGAN) under suitable assumptions regarding the equilibrium and penalty measure $μ$. The measure valued differentiation concept is employed to deal with the derivative of the penalty terms, which is helpful for handling abstract singular measures with lower dimensional support. Based on this analysis, we claim that penalizing the data manifold or sample manifold is the key to regularizing the original WGAN with a gradient penalty. Experimental results obtained with unintuitive penalty measures that satisfy our assumptions are also provided to support our theoretical results.