arXiv subjects

Adrian Buganza Tepole

Publications and source records attributed to Adrian Buganza Tepole.

18 recordsLinked to original sources

arXiv2026

Full-Field Calibration of Coupled Thermomechanical Material Models at Finite Strain

Calibrating thermomechanical material models from experiments is challenging because deformation, temperature, and force responses are strongly coupled, while measurements are usually restricted to specimen surfaces. We present a full-field calibration framework for coupled finite-strain thermomechanical material models using boundary displacement, reaction-force data, and temperature. The forward model is formulated as a near-incompressible thermo-hyperelastic problem with thermomechanical coupling derived from a Helmholtz free energy, and the inverse problem is posed as a PDE-constrained optimization problem with weighted observation terms for the available data streams. Reduced gradients are computed with adjoint sensitivities that are obtained by automatic differentiation, enabling gradient-based calibration of nonlinear transient thermomechanical systems. The formulation is first verified on synthetic examples involving uniform thermal preconditioning and localized transient rod contact, where the ground-truth parameters are recovered from full-field measurements and force observations. The same workflow is then applied to experimental thermomechanical data by first calibrating a hyperelastic mechanical baseline from cyclic equibiaxial loading and subsequently identifying thermal expansion and directional shrinkage parameters from surface-temperature and boundary-force histories. The results demonstrate that coupled thermomechanical parameters can be inferred from experimentally accessible surface data without requiring volumetric observations.

cs.CE↗

arXiv2026

Stable Long-Horizon Neural ODE Reduced-Order Models via Learned Feedback for Biological Growth and Remodeling

Reduced-order models (ROMs) are essential for rapid simulation of complex biomechanical systems and for bridging the gap between high fidelity models and clinical application. However, ROMs for tissue growth and remodeling (G&R) remain largely unexplored. Here, we present a Neural Ordinary Differential Equation (NODE) ROM framework that learns latent dynamics of coupled mechanical deformation and tissue growth, demonstrated in the context of skin growth during tissue expansion (TE). TE is a challenging problem involving nonlinear contact, history-dependent material behavior, and mechanobiology driven growth. The displacement field is compressed via Proper Orthogonal Decomposition (POD) into a low-dimensional latent space, and a NODE learns the resulting dynamics conditioned on patient-specific parameters. To address long-horizon error accumulation, a key challenge in autoregressive latent dynamical models, we propose a closed-loop architecture in which encoded features of the evolving growth field are fed back into the dynamics at each step. We compare feedback representations of increasing expressiveness: scalar, linear POD-based, and nonlinear CNN-based. The CNN-based growth feature feedback substantially stabilizes long-horizon rollouts. The best model captures 90.3% of validation cases within clinical tolerance based on the final skin area gain, compared to 43.7% for the open-loop baseline. Moreover, the NODE ROM achieves over 20000x the speed of full finite element simulations. More broadly, these results suggest that selectively retaining inexpensive physics of the state evolution and feeding features from these fields back into the latent dynamical system is a promising strategy for stable and accurate ROMs of G&R in biological tissues.

cs.CE↗

arXiv2026

A Differentiable Framework for Gradient Enhanced Damage with Physics-Augmented Neural Networks in JAX-FEM

Soft materials such as rubbers, hydrogels, and biological tissues undergo damage in the form of stiffness degradation without apparent changes in their stress-free geometry. Accurate simulation of this behavior is critical in applications ranging from soft robotics to the design of medical devices, yet two persistent challenges are the difficulty of constructing flexible, thermodynamically consistent constitutive models, and the mesh dependence of finite element solutions caused by strain softening. Here we address both challenges simultaneously by combining physics-augmented neural network constitutive models with a gradient-enhanced damage formulation implemented within the differentiable finite element framework JAX-FEM. The elastic strain energy and the damage yield function are each parameterized by input-convex neural networks (ICNNs), which enforce polyconvexity and satisfaction of the Clausius--Duhem inequality by design. The gradient-enhanced formulation introduces a non-local damage field governed by an additional partial differential equation, regularizing the spatial distribution of damage and eliminating mesh dependence. The implementation is validated through local stress-strain fits, single-element parametric studies, a mesh and solution strategy study for a uniform deformation case, and a notched plate simulation. The results demonstrate that the proposed framework enables flexible, data-driven, mesh-independent damage simulation for a broad class of soft materials. We anticipate that the open-source implementation will lower the barrier to adopting physics-augmented neural network constitutive models.

cs.CE↗

arXiv2025

The phase-field model of fracture incorporating Mohr-Coulomb, Mogi-Coulomb, and Hoek-Brown strength surfaces

Classical phase-field theories of brittle fracture capture toughness-controlled crack growth but do not account for the material's strength surface, which governs fracture nucleation in the absence of cracks. The phase-field formulation of Kumar et al. (2020) proposed a blueprint for incorporating the strength surface while preserving toughness-controlled propagation by introducing a nucleation driving force and presented results for the Drucker-Prager surface. Following this blueprint, Chockalingam (2025) recently derived a general driving-force expression that incorporates arbitrary strength surfaces. The present work implements this driving force within a finite-element framework and incorporates representative strength surfaces that span diverse mathematical and physical characteristics-the Mohr-Coulomb, 3D Hoek-Brown, and Mogi-Coulomb surfaces. Through simulations of canonical fracture problems, the formulation is comprehensively validated across fracture regimes, capturing (i) nucleation under uniform stress, (ii) crack growth from large pre-existing flaws, and (iii) fracture governed jointly by strength and toughness. While the strength surfaces examined here already encompass a broad range of brittle materials, the results demonstrate the generality and robustness of the proposed driving-force construction for materials governed by arbitrary strength surfaces.

cond-mat.mtrl-sci↗

arXiv2025

Fully data-driven inverse hyperelasticity with hyper-network neural ODE fields

We propose a new framework for identifying mechanical properties of heterogeneous materials without a closed-form constitutive equation. Given a full-field measurement of the displacement field, for instance as obtained from digital image correlation (DIC), a continuous approximation of the strain field is obtained by training a neural network that incorporates Fourier features to effectively capture sharp gradients in the data. A physics-based data-driven method built upon ordinary neural differential equations (NODEs) is employed to discover constitutive equations. The NODE framework can represent arbitrary materials while satisfying constraints in the theory of constitutive equations by default. To account for heterogeneity, a hyper-network is defined, where the input is the material coordinate system, and the output is the NODE-based constitutive equation. The parameters of the hyper-network are optimized by minimizing a multi-objective loss function that includes penalty terms for violations of the strong form of the equilibrium equations of elasticity and the associated Neumann boundary conditions. We showcase the framework with several numerical examples, including heterogeneity arising from variations in material parameters, spatial transitions from isotropy to anisotropy, material identification in the presence of noise, and, ultimately, application to experimental data. As the numerical results suggest, the proposed approach is robust and general in identifying the mechanical properties of heterogeneous materials with very few assumptions, making it a suitable alternative to classical inverse methods.

cs.LG↗

arXiv2025

A Physics-Augmented Machine Learning Constitutive Model for Damage in Solids

We propose a data-driven constitutive framework for anisotropic damage mechanics based on the second-order damage tensor approach for both compressible and incompressible materials. The formulation is thermodynamically consistent and satisfies the Clausius-Duhem inequality. The strain energy density potentials are expressed as isotropic functions of the right Cauchy-Green deformation tensor, along with structural tensors that encode anisotropy either present in the virgin material or resulting from damage. To guarantee the polyconvexity condition, non-decreasing convex neural networks with inputs that ensure polyconvexity are used to parameterize the strain energy density potentials. The model vanishes in the undeformed state, fulfilling the normality condition. In contrast to classical [1-d] damage models, the expressiveness of the new data-driven model is enhanced by employing a family of nonlinear, convex, decreasing functions to capture the effect of damage. Damage evolution is governed through a damage potential, where the corresponding threshold is defined in terms of the damage conjugate forces. As a special case of the general formulation, a new anisotropic generic format is introduced to predict constitutive responses under damage-induced anisotropy in initially isotropic materials. To reduce the computational burden during training, a decoupled training scheme is introduced, and its accuracy is demonstrated in all numerical examples. These include benchmarks for incompressible isotropic, transversely isotropic, and compressible orthotropic materials. The framework is also validated against experimental data capturing anisotropic Mullins-type damage.

physics.app-ph↗

arXiv2025

Differentiable neural network representation of multi-well, locally-convex potentials

Multi-well potentials are ubiquitous in science, modeling phenomena such as phase transitions, dynamic instabilities, and multimodal behavior across physics, chemistry, and biology. In contrast to non-smooth minimum-of-mixture representations, we propose a differentiable and convex formulation based on a log-sum-exponential (LSE) mixture of input convex neural network (ICNN) modes. This log-sum-exponential input convex neural network (LSE-ICNN) provides a smooth surrogate that retains convexity within basins and allows for gradient-based learning and inference. A key feature of the LSE-ICNN is its ability to automatically discover both the number of modes and the scale of transitions through sparse regression, enabling adaptive and parsimonious modeling. We demonstrate the versatility of the LSE-ICNN across diverse domains, including mechanochemical phase transformations, microstructural elastic instabilities, conservative biological gene circuits, and variational inference for multimodal probability distributions. These examples highlight the effectiveness of the LSE-ICNN in capturing complex multimodal landscapes while preserving differentiability, making it broadly applicable in data-driven modeling, optimization, and physical simulation.

stat.ML↗

arXiv2025

Polyconvex Physics-Augmented Neural Network Constitutive Models in Principal Stretches

Accurate constitutive models of soft materials are crucial for understanding their mechanical behavior and ensuring reliable predictions in the design process. To this end, scientific machine learning research has produced flexible and general material model architectures that can capture the behavior of a wide range of materials, reducing the need for expert-constructed closed-form models. The focus has gradually shifted towards embedding physical constraints in the network architecture to regularize these over-parameterized models. Two popular approaches are input convex neural networks (ICNN) and neural ordinary differential equations (NODE). A related alternative has been the generalization of closed-form models, such as sparse regression from a large library. Remarkably, all prior work using ICNN or NODE uses the invariants of the Cauchy-Green tensor and none uses the principal stretches. In this work, we construct general polyconvex functions of the principal stretches in a physics-aware deep-learning framework and offer insights and comparisons to invariant-based formulations. The framework is based on recent developments to characterize polyconvex functions in terms of convex functions of the right stretch tensor $\mathbf{U}$, its cofactor $\text{cof}\mathbf{U}$, and its determinant $J$. Any convex function of a symmetric second-order tensor can be described with a convex and symmetric function of its eigenvalues. Thus, we first describe convex functions of $\mathbf{U}$ and $\text{cof}\mathbf{U}$ in terms of their respective eigenvalues using deep Holder sets composed with ICNN functions. A third ICNN takes as input $J$ and the two convex functions of $\mathbf{U}$ and $\text{cof}\mathbf{U}$, and returns the strain energy as output. The ability of the model to capture arbitrary materials is demonstrated using synthetic and experimental data.

cs.CE↗

arXiv2024

A universal material model subroutine for soft matter systems

Soft materials play an integral part in many aspects of modern life including autonomy, sustainability, and human health, and their accurate modeling is critical to understand their unique properties and functions. Today's finite element analysis packages come with a set of pre-programmed material models, which may exhibit restricted validity in capturing the intricate mechanical behavior of these materials. Regrettably, incorporating a modified or novel material model in a finite element analysis package requires non-trivial in-depth knowledge of tensor algebra, continuum mechanics, and computer programming, making it a complex task that is prone to human error. Here we design a universal material subroutine, which automates the integration of novel constitutive models of varying complexity in non-linear finite element packages, with no additional analytical derivations and algorithmic implementations. We demonstrate the versatility of our approach to seamlessly integrate innovative constituent models from the material point to the structural level through a variety of soft matter case studies: a frontal impact to the brain; reconstructive surgery of the scalp; diastolic loading of arteries and the human heart; and the dynamic closing of the tricuspid valve. Our universal material subroutine empowers all users, not solely experts, to conduct reliable engineering analysis of soft matter systems. We envision that this framework will become an indispensable instrument for continued innovation and discovery within the soft matter community at large.

cs.CE↗

arXiv2023

Generative Hyperelasticity with Physics-Informed Probabilistic Diffusion Fields

Many natural materials exhibit highly complex, nonlinear, anisotropic, and heterogeneous mechanical properties. Recently, it has been demonstrated that data-driven strain energy functions possess the flexibility to capture the behavior of these complex materials with high accuracy while satisfying physics-based constraints. However, most of these approaches disregard the uncertainty in the estimates and the spatial heterogeneity of these materials. In this work, we leverage recent advances in generative models to address these issues. We use as building block neural ordinary equations (NODE) that -- by construction -- create polyconvex strain energy functions, a key property of realistic hyperelastic material models. We combine this approach with probabilistic diffusion models to generate new samples of strain energy functions. This technique allows us to sample a vector of Gaussian white noise and translate it to NODE parameters thereby representing plausible strain energy functions. We extend our approach to spatially correlated diffusion resulting in heterogeneous material properties for arbitrary geometries. We extensively test our method with synthetic and experimental data on biological tissues and run finite element simulations with various degrees of spatial heterogeneity. We believe this approach is a major step forward including uncertainty in predictive, data-driven models of hyperelasticity

cs.CE↗

arXiv2023

Benchmarks for physics-informed data-driven hyperelasticity

Data-driven methods have changed the way we understand and model materials. However, while providing unmatched flexibility, these methods have limitations such as reduced capacity to extrapolate, overfitting, and violation of physics constraints. Recent developments have led to modeling frameworks that automatically satisfy these requirements. Here we review, extend, and compare three promising data-driven methods: Constitutive Artificial Neural Networks (CANN), Input Convex Neural Networks (ICNN), and Neural Ordinary Differential Equations (NODE). Our formulation expands the strain energy potentials in terms of sums of convex non-decreasing functions of invariants and linear combinations of these. The expansion of the energy is shared across all three methods and guarantees the automatic satisfaction of objectivity and polyconvexity, essential within the context of hyperelasticity. To benchmark the methods, we train them against rubber and skin stress-strain data. All three approaches capture the data almost perfectly, without overfitting, and have some capacity to extrapolate. Interestingly, the methods find different energy functions even though the prediction on the stress data is nearly identical. The most notable differences are observed in the second derivatives, which could impact performance of numerical solvers. On the rich set of data used in these benchmarks, the models show the anticipated trade-off between number of parameters and accuracy. Overall, CANN, ICNN and NODE retain the flexibility and accuracy of other data-driven methods without compromising on the physics. These methods are thus ideal options to model arbitrary hyperelastic material behavior.

cs.CE↗

arXiv2022

Elasticity Solver in Minecraft for Learning Mechanics of Materials by Gaming

Video games have emerged as a medium for learning by creating engaging environments, encouraging creative and deep thinking, and exposing learners to complex problems. Unfortunately, even though there are increasing examples of video games for many basic science and engineering concepts, similar efforts for higher level engineering concepts such as mechanics of materials are still lacking. Here we present a mesh-free elasticity solver implementation in the popular video game Minecraft, a sandbox game where players can build any structure they can imagine. Modifications to the game, called mods in the Minecraft community, are a common feature of this platform. Our elasticity mod computes the stress and deformation of arbitrary structures and colors the blocks with a heat-map to visualize the result of the analysis. We used this mod in the Honors section of two courses taught at Purdue University: Basic Mechanics I Statics, Mechanics of Materials. This articles describes our experience developing and deploying this tool to encourage its use in biomedical engineering classrooms. A future goal is to engage the broader audience Minecraft players that already interact regularly with Minecraft mods.

cs.HC↗

arXiv2022

Data-driven Tissue Mechanics with Polyconvex Neural Ordinary Differential Equations

Data-driven methods are becoming an essential part of computational mechanics due to their unique advantages over traditional material modeling. Deep neural networks are able to learn complex material response without the constraints of closed-form approximations. However, imposing the physics-based mathematical requirements that any material model must comply with is not straightforward for data-driven approaches. In this study, we use a novel class of neural networks, known as neural ordinary differential equations (N-ODEs), to develop data-driven material models that automatically satisfy polyconvexity of the strain energy function with respect to the deformation gradient, a condition needed for the existence of minimizers for boundary value problems in elasticity. We take advantage of the properties of ordinary differential equations to create monotonic functions that approximate the derivatives of the strain energy function with respect to the invariants of the right Cauchy-Green deformation tensor. The monotonicity of the derivatives guarantees the convexity of the energy. The N-ODE material model is able to capture synthetic data generated from closed-form material models, and it outperforms conventional models when tested against experimental data on skin, a highly nonlinear and anisotropic material. We also showcase the use of the N-ODE material model in finite element simulations. The framework is general and can be used to model a large class of materials. Here we focus on hyperelasticity, but polyconvex strain energies are a core building block for other problems in elasticity such as viscous and plastic deformations. We therefore expect our methodology to further enable data-driven methods in computational mechanics

cs.CE↗

arXiv2021

Predicting the Mechanical Properties of Biopolymer Gels Using Neural Networks Trained on Discrete Fiber Network Data

Biopolymer gels, such as those made out of fibrin or collagen, are widely used in tissue engineering applications and biomedical research. Moreover, fibrin naturally assembles into gels in vivo during wound healing and thrombus formation. Macroscale biopolymer gel mechanics are dictated by the microscale fiber network. Hence, accurate description of biopolymer gels can be achieved using representative volume elements (RVE) that explicitly model the discrete fiber networks of the microscale. These RVE models, however, cannot be efficiently used to model the macroscale due to the challenges and computational demands of multiscale coupling. Here, we propose the use of an artificial, fully connected neural network (FCNN) to efficiently capture the behavior of the RVE models. The FCNN was trained on 1100 fiber networks subjected to 121 biaxial deformations. The stress data from the RVE, together with the total energy and the condition of incompressibility of the surrounding matrix, were used to determine the derivatives of an unknown strain energy function with respect to the deformation invariants. During training, the loss function was modified to ensure convexity of the strain energy function and symmetry of its Hessian. A general FCNN model was coded into a user material subroutine (UMAT) in the software Abaqus. In this work, the FCNN trained on the discrete fiber network data was used in finite element simulations of fibrin gels using our UMAT. We anticipate that this work will enable further integration of machine learning tools with computational mechanics. It will also improve computational modeling of biological materials characterized by a multiscale structure.

q-bio.QM↗

arXiv2020

Improving Reconstructive Surgery Design using Gaussian Process Surrogates to Capture Material Behavior Uncertainty

Excessive loads near wounds produce pathological scarring and other complications. Presently, stress cannot easily be measured by surgeons in the operating room. Instead, surgeons rely on intuition and experience. Predictive computational tools are ideal candidates for surgery planning. Finite element (FE) simulations have shown promise in predicting stress fields on large skin patches and complex cases, helping to identify potential regions of complication. Unfortunately, these simulations are computationally expensive and deterministic. However, running a few, well-selected FE simulations allows us to create Gaussian process (GP) surrogate models of local cutaneous flaps that are computationally efficient and able to predict stress and strain for arbitrary material parameters. Here, we create GP surrogates for the advancement, rotation, and transposition flaps. We then use the predictive capability of these surrogates to perform a global sensitivity analysis, ultimately showing that fiber direction has the most significant impact on strain field variations. We then perform an optimization to determine the optimal fiber direction for each flap for three different objectives driven by clinical guidelines. While material properties are not controlled by the surgeon and are actually a source of uncertainty, the surgeon can in fact control the orientation of the flap. Therefore, fiber direction is the only material parameter that can be optimized clinically. The optimization task relies on the efficiency of the GP surrogates to calculate the expected cost of different strategies when the uncertainty of other material parameters is included. We propose optimal flap orientations for the three cost functions and that can help in reducing stress resulting from the surgery and ultimately reduce complications associated with excessive mechanical loading near wounds.

physics.med-ph↗

arXiv2020

Probabilistic vortex crossing criterion for superconducting nanowire single-photon detectors

Superconducting nanowire single-photon detectors have emerged as a promising technology for quantum metrology from the mid-infrared to ultra-violet frequencies. Despite the recent experimental successes, a predictive model to describe the detection event in these detectors is needed to optimize the detection metrics. Here, we propose a probabilistic criterion for single-photon detection based on single-vortex (flux quanta) crossing the width of the nanowire. Our model makes a connection between the dark-counts and photon-counts near the detection threshold. The finite-difference calculations demonstrate that a change in the bias current distribution as a result of the photon absorption significantly increases the probability of single-vortex crossing even if the vortex potential barrier has not vanished completely. We estimate the instrument response function and show that the timing uncertainty of this vortex tunneling process corresponds to a fundamental limit in timing jitter of the click event. We demonstrate a trade-space between this intrinsic (quantum) timing jitter, quantum efficiency, and dark count rate in TaN, WSi, and NbN superconducting nanowires at different experimental conditions. Our detection model can also explain the experimental observation of exponential decrease in the quantum efficiency of SNSPDs at lower energies. This leads to a pulse-width dependency in the quantum efficiency, and it can be further used as an experimental test to compare across different detection models.

physics.ins-det↗

arXiv2020

Multiscale modeling meets machine learning: What can we learn?

Machine learning is increasingly recognized as a promising technology in the biological, biomedical, and behavioral sciences. There can be no argument that this technique is incredibly successful in image recognition with immediate applications in diagnostics including electrophysiology, radiology, or pathology, where we have access to massive amounts of annotated data. However, machine learning often performs poorly in prognosis, especially when dealing with sparse data. This is a field where classical physics-based simulation seems to remain irreplaceable. In this review, we identify areas in the biomedical sciences where machine learning and multiscale modeling can mutually benefit from one another: Machine learning can integrate physics-based knowledge in the form of governing equations, boundary conditions, or constraints to manage ill-posted problems and robustly handle sparse and noisy data; multiscale modeling can integrate machine learning to create surrogate models, identify system dynamics and parameters, analyze sensitivities, and quantify uncertainty to bridge the scales and understand the emergence of function. With a view towards applications in the life sciences, we discuss the state of the art of combining machine learning and multiscale modeling, identify applications and opportunities, raise open questions, and address potential challenges and limitations. We anticipate that it will stimulate discussion within the community of computational mechanics and reach out to other disciplines including mathematics, statistics, computer science, artificial intelligence, biomedicine, systems biology, and precision medicine to join forces towards creating robust and efficient models for biological systems.

physics.bio-ph↗

arXiv2019

Integrating Machine Learning and Multiscale Modeling: Perspectives, Challenges, and Opportunities in the Biological, Biomedical, and Behavioral Sciences

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret these data to advance human health. The recent rise of machine learning as a powerful technique to integrate multimodality, multifidelity data, and reveal correlations between intertwined phenomena presents a special opportunity in this regard. However, classical machine learning techniques often ignore the fundamental laws of physics and result in ill-posed problems or non-physical solutions. Multiscale modeling is a successful strategy to integrate multiscale, multiphysics data and uncover mechanisms that explain the emergence of function. However, multiscale modeling alone often fails to efficiently combine large data sets from different sources and different levels of resolution. We show how machine learning and multiscale modeling can complement each other to create robust predictive models that integrate the underlying physics to manage ill-posed problems and explore massive design spaces. We critically review the current literature, highlight applications and opportunities, address open questions, and discuss potential challenges and limitations in four overarching topical areas: ordinary differential equations, partial differential equations, data-driven approaches, and theory-driven approaches. Towards these goals, we leverage expertise in applied mathematics, computer science, computational biology, biophysics, biomechanics, engineering mechanics, experimentation, and medicine. Our multidisciplinary perspective suggests that integrating machine learning and multiscale modeling can provide new insights into disease mechanisms, help identify new targets and treatment strategies, and inform decision making for the benefit of human health.

q-bio.QM↗