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Aug 19

Physics-Audited Agentic Discovery in Scientific Machine Learning

In agentic scientific machine learning (SciML), large language model (LLM) agents can discover surrogate models and select one by an automated score, typically an error metric. A low error, however, does not establish that the predicted fields satisfy the physics that matter for mechanics, such as boundary conditions, superposition, stiffness scaling, or causality. We introduce Physics-Audited Agentic SciML (PA-SciML), a verification-first workflow for agentic SciML discovery. The workflow fixes a scoring evaluator before search, derives reviewable machine-checkable physics requirements, checks each trained candidate on its outputs, and separately searches prescribed input ranges or measured load-history spans for high-violation cases without reference solution fields. A surrogate is reported as verified only under the stated checks. When enabled, the workflow also adds advisory numerical probes before training and tests one modeling change at a time to record which isolated edits are associated with score gains before reuse. In the reported computational-solid-mechanics numerical examples, the static elasticity run selects a surrogate with lower validation error than the error-only baseline while both selected models pass the common linear-elastic checks. In the transient elastodynamics run, an error-only baseline with similar mean error fails a stricter causality check by responding to future parts of the loading history, while the selected surrogate passes the stated checks. The main distinction is per-candidate physics evidence on predicted fields, not a richer aggregate score.

  • 4 authors
·
Jul 7

Unified Micromechanics Theory of Composites

We consider the matrix composite materials (CM) of either random (statistically homogeneous or inhomogeneous), periodic, or deterministic (neither random nor periodic) structures. CMs exhibit linear or nonlinear behavior, coupled or uncoupled multi-physical phenomena, locally elastic, weakly nonlocal (strain gradient and stress gradient), or strongly nonlocal (strain-type and displacement-type, peridynamics) phase properties. A modified Computational Analytical Micromechanics (CAM) approach introduces an exact Additive General Integral Equation (AGIE) for CMs of any structure and phase properties mentioned above. The unified iteration solution of static AGIEs is adapted to the body force with compact support serving as a fundamentally new universal training parameter. The approach also establishes a critical threshold for filtering out unsuitable sub-datasets of effective parameters through a novel Representative Volume Element (RVE) concept, which extends Hill's classical framework. This RVE concept eliminates sample size, boundary layer, and edge effects, making it applicable to CMs of any structure and phase properties, regardless of local or nonlocal, linear or nonlinear. Incorporating this new RVE concept into machine learning and neural network techniques enables the construction of any unpredefined surrogate nonlocal operators. The methodology is structured as a modular, block-based framework, allowing independent development and refinement of software components. This flexible, robust AGIE-CAM framework integrates data-driven, multi-scale, and multi-physics modeling, accelerating research in CM of any microtopology and phase properties considered. The AGIE-CAM framework represents a groundbreaking paradigm shift in the micromechanics of composites, redefining the very philosophy that underpins our understanding of their behavior at the microscopic level.

  • 1 authors
·
Mar 15, 2025

Shear Stress Build-up Under Constant Strain Conditions in Soft Glassy Materials

In this work, we investigate the transient rheological behavior of two soft glassy materials: a clay dispersion and a silica gel, emphasizing their unconventional shear stress build-up behavior under conditions of constant imposed strain. For both materials, the elastic modulus and static yield stress undergo time-dependent evolution or aging. In addition, following an intense period of pre-shearing (i.e. shear-melting or destructuration), the material relaxation time is observed to show a stronger than linear dependence on the sample age, suggestive of hyper-aging dynamics. We show that these features are consistent with non-monotonic steady-state shear stress/shear rate flow curves characterized by a local stress minimum. When a steady shear flow is suddenly ceased, and the total imposed sample strain is held constant, both materials show an initial relaxation of the shear stress followed by a period of shear stress buildup, resulting in a local minimum in the evolution of shear stress with time. For the clay dispersion, the intensity of these effects increases with higher pre-shear rates, whereas for the silica gel, the effects are largely independent of the pre-shear rate. We also propose a simple time-dependent linear Maxwell model, which qualitatively predicts the experimentally observed trends in which the shear stress build-up is directly related to a monotonic increase in the elastic modulus, giving keen insight into this peculiar phenomenon.

  • 3 authors
·
Apr 1, 2025

Tensegrity crutches with compliance from a pre-stressed self-tensile module improve ground reaction force profiles, speed, effort, comfort, and perceived stability

Purpose: Six million people use crutches as mobile aids in the US. Rigid designs with no axial mobility limit sensory feedback and lead to secondary injury on the upper joints. Spring-loaded designs offer compliance but may compromise stability. We designed a biologically inspired tensegrity crutch with a compliant module aiming to achieve favorable mechanical properties. The terminal module was a pre-stressed self-tensile two-cell tensegrity structure. We compared the tensegrity crutch to commercial rigid and spring-loaded crutches in mechanical tests using axial loading, in overground straight and turning walking, and in participant experience. Methods: In human trials, healthy young adults (N=18) with no recent lower-body injury performed straight walking and turning trials at a comfortable self-selected pace. A knee blocker simulated unilateral injury of the dominant leg. After using each type of crutch, participants reported their perceived levels of effort, comfort, pain, stability, and usability. Results: Compared to the rigid design, both spring-loaded and tensegrity conditions reduced peak loading rates. The tensegrity design improved effort, comfort, pain, and usability. Spring-loaded crutches reduced perceived stability and walking speed. Conclusion: The biologically inspired tensegrity crutches were an overall improvement to existing designs. Simulations and mechanical testing suggest that nonlinear stiffness, ground-following, and force feedback are among the beneficial mechanical properties that underlie this improvement.

  • 6 authors
·
May 3

Automating modeling in mechanics: LLMs as designers of physics-constrained neural networks for constitutive modeling of materials

Large language model (LLM)-based agentic frameworks increasingly adopt the paradigm of dynamically generating task-specific agents. We suggest that not only agents but also specialized software modules for scientific and engineering tasks can be generated on demand. We demonstrate this concept in the field of solid mechanics. There, so-called constitutive models are required to describe the relationship between mechanical stress and body deformation. Constitutive models are essential for both the scientific understanding and industrial application of materials. However, even recent data-driven methods of constitutive modeling, such as constitutive artificial neural networks (CANNs), still require substantial expert knowledge and human labor. We present a framework in which an LLM generates a CANN on demand, tailored to a given material class and dataset provided by the user. The framework covers LLM-based architecture selection, integration of physical constraints, and complete code generation. Evaluation on three benchmark problems demonstrates that LLM-generated CANNs achieve accuracy comparable to or greater than manually engineered counterparts, while also exhibiting reliable generalization to unseen loading scenarios and extrapolation to large deformations. These findings indicate that LLM-based generation of physics-constrained neural networks can substantially reduce the expertise required for constitutive modeling and represent a step toward practical end-to-end automation.

  • 7 authors
·
Dec 1, 2025

EquiNO: A Physics-Informed Neural Operator for Multiscale Simulations

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

  • 5 authors
·
Mar 27, 2025