Christian J. Cyron

Kian P. Abdolazizi, Kevin Linka, Christian J. Cyron

The constitutive behavior of polymeric materials is often modeled by finite linear viscoelastic (FLV) or quasi-linear viscoelastic (QLV) models. These popular models are simplifications that typically cannot accurately capture the nonlinear viscoelastic behavior of materials. For example, the success of attempts to capture strain rate-dependent behavior has been limited so far. To overcome this problem, we introduce viscoelastic Constitutive Artificial Neural Networks (vCANNs), a novel physics-informed machine learning framework for anisotropic nonlinear viscoelasticity at finite strains. vCANNs rely on the concept of generalized Maxwell models enhanced with nonlinear strain (rate)-dependent properties represented by neural networks. The flexibility of vCANNs enables them to automatically identify accurate and sparse constitutive models of a broad range of materials. To test vCANNs, we trained them on stress-strain data from Polyvinyl Butyral, the electro-active polymers VHB 4910 and 4905, and a biological tissue, the rectus abdominis muscle. Different loading conditions were considered, including relaxation tests, cyclic tension-compression tests, and blast loads. We demonstrate that vCANNs can learn to capture the behavior of all these materials accurately and computationally efficiently without human guidance.

Maximilian Neidhardt, Marcel Bengs, Sarah Latus et al.

Ultrasound shear wave elasticity imaging is a valuable tool for quantifying the elastic properties of tissue. Typically, the shear wave velocity is derived and mapped to an elasticity value, which neglects information such as the shape of the propagating shear wave or push sequence characteristics. We present 3D spatio-temporal CNNs for fast local elasticity estimation from ultrasound data. This approach is based on retrieving elastic properties from shear wave propagation within small local regions. A large training data set is acquired with a robot from homogeneous gelatin phantoms ranging from 17.42 kPa to 126.05 kPa with various push locations. The results show that our approach can estimate elastic properties on a pixelwise basis with a mean absolute error of 5.01+-4.37 kPa. Furthermore, we estimate local elasticity independent of the push location and can even perform accurate estimates inside the push region. For phantoms with embedded inclusions, we report a 53.93% lower MAE (7.50 kPa) and on the background of 85.24% (1.64 kPa) compared to a conventional shear wave method. Overall, our method offers fast local estimations of elastic properties with small spatio-temporal window sizes.

Matthias Busch, Marius Tacke, Sviatlana V. Lamaka et al.

The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However, their effectiveness in in-context learning remains ambiguous, particularly given the potential for training data contamination in widely used benchmarks. This paper investigates whether LLMs perform genuine in-context regression on molecular properties or rely primarily on memorized values. Furthermore, we analyze the interplay between pre-trained knowledge and in-context information through a series of progressively blinded experiments. We evaluate nine LLM variants across three families (GPT-4.1, GPT-5, Gemini 2.5) on three MoleculeNet datasets (Delaney solubility, Lipophilicity, QM7 atomization energy) using a systematic blinding approach that iteratively reduces available information. Complementing this, we utilize varying in-context sample sizes (0-, 60-, and 1000-shot) as an additional control for information access. This work provides a principled framework for evaluating molecular property prediction under controlled information access, addressing concerns regarding memorization and exposing conflicts between pre-trained knowledge and in-context information.

Kartik Bali, Mahish K. Guru, Christian J Cyron et al.

Adaptive volumetric finite element meshing is a critical step in computer-aided engineering and analysis that dictates the computational budget of a given problem. It traditionally requires iterative PDE solvers or heavily supervised, data-driven surrogates trained on large-scale simulation data. While Multimodal Large Language Models (MLLMs) excel in 2D visual tasks, their zero-shot capability to semantically ground regions based on geometric understanding and physics remains an open question. Overall, this study explores a significant question: can the high-level semantic understanding of off-the-shelf MLLMs serve as a viable, zero-shot geometric proxy for finite element mesh refinement? To investigate this, we introduce GReFEM (Geometric Reasoning Enhanced Multimodal LLMs for Finite Element Meshing), a framework that utilizes MLLMs to visually localize stress-critical regions based on physics-guided textual prompts. To bridge the gap between 2D MLLM pre-training and 3D geometries, we introduce orthoViews, a view-selection module that maximizes the observability of key geometric features. We conduct an in-depth empirical evaluation across diverse CAD geometries, loading cases, and SOTA MLLMs, comparing them against a tuned geometric heuristic under a strict, matched refinement budget. Our findings reveal that MLLMs demonstrate robust zero-shot capacity to accurately follow complex spatial-physical instructions, isolating stress-relevant features with higher precision than blind heuristics. By mapping both the successes and current limitations of MLLMs in physical grounding, this study defines the frontier of foundation models as semantic assistants in automated simulation workflows.

Marius Tacke, Matthias Busch, Kian Abdolazizi et al.

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.

Roland Aydin, Christian Cyron, Steve Bachelor et al.

Current AI training methods align models with human values only after their core capabilities have been established, resulting in models that are easily misaligned and lack deep-rooted value systems. We propose a paradigm shift from "model training" to "model raising", in which alignment is woven into a model's development from the start. We identify several key components for this paradigm, all centered around redesigning the training corpus: reframing training data from a first-person perspective, recontextualizing information as lived experience, simulating social interactions, and scaffolding the ordering of training data. We expect that this redesign of the training corpus will lead to an early commitment to values from the first training token onward, such that knowledge, skills, and values are intrinsically much harder to separate. In an ecosystem in which large language model capabilities start overtaking human capabilities in many tasks, this seems to us like a critical need.

Marius Tacke, Matthias Busch, Kevin Linka et al.

Datasets often incorporate various functional patterns related to different aspects or regimes, which are typically not equally present throughout the dataset. We propose a novel, general-purpose partitioning algorithm that utilizes competition between models to detect and separate these functional patterns. This competition is induced by multiple models iteratively submitting their predictions for the dataset, with the best prediction for each data point being rewarded with training on that data point. This reward mechanism amplifies each model's strengths and encourages specialization in different patterns. The specializations can then be translated into a partitioning scheme. The amplification of each model's strengths inverts the active learning paradigm: while active learning typically focuses the training of models on their weaknesses to minimize the number of required training data points, our concept reinforces the strengths of each model, thus specializing them. We validate our concept -- called active partitioning -- with various datasets with clearly distinct functional patterns, such as mechanical stress and strain data in a porous structure. The active partitioning algorithm produces valuable insights into the datasets' structure, which can serve various further applications. As a demonstration of one exemplary usage, we set up modular models consisting of multiple expert models, each learning a single partition, and compare their performance on more than twenty popular regression problems with single models learning all partitions simultaneously. Our results show significant improvements, with up to 54% loss reduction, confirming our partitioning algorithm's utility.

Elisabeth J. Schiessler, Roland C. Aydin, Christian J. Cyron

We present ECToNAS, a cost-efficient evolutionary cross-topology neural architecture search algorithm that does not require any pre-trained meta controllers. Our framework is able to select suitable network architectures for different tasks and hyperparameter settings, independently performing cross-topology optimisation where required. It is a hybrid approach that fuses training and topology optimisation together into one lightweight, resource-friendly process. We demonstrate the validity and power of this approach with six standard data sets (CIFAR-10, CIFAR-100, EuroSAT, Fashion MNIST, MNIST, SVHN), showcasing the algorithm's ability to not only optimise the topology within an architectural type, but also to dynamically add and remove convolutional cells when and where required, thus crossing boundaries between different network types. This enables researchers without a background in machine learning to make use of appropriate model types and topologies and to apply machine learning methods in their domains, with a computationally cheap, easy-to-use cross-topology neural architecture search framework that fully encapsulates the topology optimisation within the training process.