Thermodynamics-informed graph neural networksQuercus Hernández, Alberto Badías, Francisco Chinesta et al.
In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting integration scheme. The first is achieved with Graph Neural Networks, which induces a non-Euclidean geometrical prior with permutation invariant node and edge update functions. The second bias is forced by learning the GENERIC structure of the problem, an extension of the Hamiltonian formalism, to model more general non-conservative dynamics. Several examples are provided in both Eulerian and Lagrangian description in the context of fluid and solid mechanics respectively, achieving relative mean errors of less than 3% in all the tested examples. Two ablation studies are provided based on recent works in both physics-informed and geometric deep learning.
Thermodynamics-informed neural networks for physically realistic mixed realityQuercus Hernández, Alberto Badías, Francisco Chinesta et al.
The imminent impact of immersive technologies in society urges for active research in real-time and interactive physics simulation for virtual worlds to be realistic. In this context, realistic means to be compliant to the laws of physics. In this paper we present a method for computing the dynamic response of (possibly non-linear and dissipative) deformable objects induced by real-time user interactions in mixed reality using deep learning. The graph-based architecture of the method ensures the thermodynamic consistency of the predictions, whereas the visualization pipeline allows a natural and realistic user experience. Two examples of virtual solids interacting with virtual or physical solids in mixed reality scenarios are provided to prove the performance of the method.
A Thermodynamics-informed Active Learning Approach to Perception and Reasoning about FluidsBeatriz Moya, Alberto Badias, David Gonzalez et al.
Learning and reasoning about physical phenomena is still a challenge in robotics development, and computational sciences play a capital role in the search for accurate methods able to provide explanations for past events and rigorous forecasts of future situations. We propose a thermodynamics-informed active learning strategy for fluid perception and reasoning from observations. As a model problem, we take the sloshing phenomena of different fluids contained in a glass. Starting from full-field and high-resolution synthetic data for a particular fluid, we develop a method for the tracking (perception) and analysis (reasoning) of any previously unseen liquid whose free surface is observed with a commodity camera. This approach demonstrates the importance of physics and knowledge not only in data-driven (grey box) modeling but also in the correction for real physics adaptation in low data regimes and partial observations of the dynamics. The method presented is extensible to other domains such as the development of cognitive digital twins, able to learn from observation of phenomena for which they have not been trained explicitly.
Port-metriplectic neural networks: thermodynamics-informed machine learning of complex physical systemsQuercus Hernández, Alberto Badías, Francisco Chinesta et al.
We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy, non-negative entropy production), we modify accordingly the port-Hamiltonian formalism so as to achieve a port-metriplectic one. We show that the constructed networks are able to learn the physics of complex systems by parts, thus alleviating the burden associated to the experimental characterization and posterior learning process of this kind of systems. Predictions can be done, however, at the scale of the complete system. Examples are shown on the performance of the proposed technique.
4.3COMP-PHFeb 27, 2024
Thermodynamics-informed super-resolution of scarce temporal dynamics dataCarlos Bermejo-Barbanoj, Beatriz Moya, Alberto Badías et al.
We present a method to increase the resolution of measurements of a physical system and subsequently predict its time evolution using thermodynamics-aware neural networks. Our method uses adversarial autoencoders, which reduce the dimensionality of the full order model to a set of latent variables that are enforced to match a prior, for example a normal distribution. Adversarial autoencoders are seen as generative models, and they can be trained to generate high-resolution samples from low-resoution inputs, meaning they can address the so-called super-resolution problem. Then, a second neural network is trained to learn the physical structure of the latent variables and predict their temporal evolution. This neural network is known as an structure-preserving neural network. It learns the metriplectic-structure of the system and applies a physical bias to ensure that the first and second principles of thermodynamics are fulfilled. The integrated trajectories are decoded to their original dimensionality, as well as to the higher dimensionality space produced by the adversarial autoencoder and they are compared to the ground truth solution. The method is tested with two examples of flow over a cylinder, where the fluid properties are varied between both examples.
3.6CVSep 5, 2025
Augmented Structure Preserving Neural Networks for cell biomechanicsJuan Olalla-Pombo, Alberto Badías, Miguel Ángel Sanz-Gómez et al.
Cell biomechanics involve a great number of complex phenomena that are fundamental to the evolution of life itself and other associated processes, ranging from the very early stages of embryo-genesis to the maintenance of damaged structures or the growth of tumors. Given the importance of such phenomena, increasing research has been dedicated to their understanding, but the many interactions between them and their influence on the decisions of cells as a collective network or cluster remain unclear. We present a new approach that combines Structure Preserving Neural Networks, which study cell movements as a purely mechanical system, with other Machine Learning tools (Artificial Neural Networks), which allow taking into consideration environmental factors that can be directly deduced from an experiment with Computer Vision techniques. This new model, tested on simulated and real cell migration cases, predicts complete cell trajectories following a roll-out policy with a high level of accuracy. This work also includes a mitosis event prediction model based on Neural Networks architectures which makes use of the same observed features.
4.4LGJul 2, 2021
Neural Network Layer Algebra: A Framework to Measure Capacity and Compression in Deep LearningAlberto Badias, Ashis Banerjee
We present a new framework to measure the intrinsic properties of (deep) neural networks. While we focus on convolutional networks, our framework can be extrapolated to any network architecture. In particular, we evaluate two network properties, namely, capacity, which is related to expressivity, and compression, which is related to learnability. Both these properties depend only on the network structure and are independent of the network parameters. To this end, we propose two metrics: the first one, called layer complexity, captures the architectural complexity of any network layer; and, the second one, called layer intrinsic power, encodes how data is compressed along the network. The metrics are based on the concept of layer algebra, which is also introduced in this paper. This concept is based on the idea that the global properties depend on the network topology, and the leaf nodes of any neural network can be approximated using local transfer functions, thereby, allowing a simple computation of the global metrics. We show that our global complexity metric can be calculated and represented more conveniently than the widely-used VC dimension. We also compare the properties of various state-of-the art architectures using our metrics and use the properties to analyze their accuracy on benchmark image classification datasets.
9.4CVJun 24, 2021
Physics perception in sloshing scenes with guaranteed thermodynamic consistencyBeatriz Moya, Alberto Badias, David Gonzalez et al.
Physics perception very often faces the problem that only limited data or partial measurements on the scene are available. In this work, we propose a strategy to learn the full state of sloshing liquids from measurements of the free surface. Our approach is based on recurrent neural networks (RNN) that project the limited information available to a reduced-order manifold so as to not only reconstruct the unknown information, but also to be capable of performing fluid reasoning about future scenarios in real time. To obtain physically consistent predictions, we train deep neural networks on the reduced-order manifold that, through the employ of inductive biases, ensure the fulfillment of the principles of thermodynamics. RNNs learn from history the required hidden information to correlate the limited information with the latent space where the simulation occurs. Finally, a decoder returns data back to the high-dimensional manifold, so as to provide the user with insightful information in the form of augmented reality. This algorithm is connected to a computer vision system to test the performance of the proposed methodology with real information, resulting in a system capable of understanding and predicting future states of the observed fluid in real-time.
2.3CVSep 1, 2020
MORPH-DSLAM: Model Order Reduction for PHysics-based Deformable SLAMAlberto Badias, Iciar Alfaro, David Gonzalez et al.
We propose a new methodology to estimate the 3D displacement field of deformable objects from video sequences using standard monocular cameras. We solve in real time the complete (possibly visco-)hyperelasticity problem to properly describe the strain and stress fields that are consistent with the displacements captured by the images, constrained by real physics. We do not impose any ad-hoc prior or energy minimization in the external surface, since the real and complete mechanics problem is solved. This means that we can also estimate the internal state of the objects, even in occluded areas, just by observing the external surface and the knowledge of material properties and geometry. Solving this problem in real time using a realistic constitutive law, usually non-linear, is out of reach for current systems. To overcome this difficulty, we solve off-line a parametrized problem that considers each source of variability in the problem as a new parameter and, consequently, as a new dimension in the formulation. Model Order Reduction methods allow us to reduce the dimensionality of the problem, and therefore, its computational cost, while preserving the visualization of the solution in the high-dimensionality space. This allows an accurate estimation of the object deformations, improving also the robustness in the 3D points estimation.
Deep learning of thermodynamics-aware reduced-order models from dataQuercus Hernandez, Alberto Badias, David Gonzalez et al.
We present an algorithm to learn the relevant latent variables of a large-scale discretized physical system and predict its time evolution using thermodynamically-consistent deep neural networks. Our method relies on sparse autoencoders, which reduce the dimensionality of the full order model to a set of sparse latent variables with no prior knowledge of the coded space dimensionality. Then, a second neural network is trained to learn the metriplectic structure of those reduced physical variables and predict its time evolution with a so-called structure-preserving neural network. This data-based integrator is guaranteed to conserve the total energy of the system and the entropy inequality, and can be applied to both conservative and dissipative systems. The integrated paths can then be decoded to the original full-dimensional manifold and be compared to the ground truth solution. This method is tested with two examples applied to fluid and solid mechanics.
Structure-preserving neural networksQuercus Hernández, Alberto Badias, David Gonzalez et al.
We develop a method to learn physical systems from data that employs feedforward neural networks and whose predictions comply with the first and second principles of thermodynamics. The method employs a minimum amount of data by enforcing the metriplectic structure of dissipative Hamiltonian systems in the form of the so-called General Equation for the Non-Equilibrium Reversible-Irreversible Coupling, GENERIC [M. Grmela and H.C Oettinger (1997). Dynamics and thermodynamics of complex fluids. I. Development of a general formalism. Phys. Rev. E. 56 (6): 6620-6632]. The method does not need to enforce any kind of balance equation, and thus no previous knowledge on the nature of the system is needed. Conservation of energy and dissipation of entropy in the prediction of previously unseen situations arise as a natural by-product of the structure of the method. Examples of the performance of the method are shown that include conservative as well as dissipative systems, discrete as well as continuous ones.