arXiv subjects

Arnd Koeppe

Publications and source records attributed to Arnd Koeppe.

6 recordsLinked to original sources

arXiv2026

Accelerating battery research with an interoperable interface between FINALES and Kadi4Mat

This study investigates how automated and interoperable research infrastructures can accelerate experimental materials research, using battery formation as a case study. We introduce a methodological framework that integrates the FINALES and Kadi Research Data Management ecosystems, enabling coordinated experiment execution, data management, and analysis across distributed research infrastructures. The FINALES framework orchestrates experiment planning and execution on the POLiS Materials Acceleration Platform, while Kadi handles data management, visualization, experiment selection, and persistent storage. This interoperability enables reproducible, coordinated, end-to-end experimental workflows that connect automated systems and human-operated processes across multiple research sites. To showcase the framework's capabilities, we investigate the formation process of sodium-ion coin cells, a critical step that influences cell lifetime. Using a dataset generated through the proposed infrastructure, we analyze the relationships between formation parameters and electrochemical performance. A Gaussian process model is employed to identify regions associated with favorable performance within the investigated parameter domain while quantifying predictive uncertainty, highlighting where additional experimental evidence would be most informative. The presented workflow demonstrates that interoperable, automated infrastructures can support experimental campaigns, enhance data consistency and traceability, and support reproducible, data-driven analysis. While demonstrated through a battery application, the framework provides a general methodology for integrating distributed experimental platforms with RDM systems, transferable across materials science and engineering domains.

cs.AI↗

arXiv2026

KadiAssistant: A conversational AI Agent for information retrieval in Kadi4Mat

We introduce KadiAssistant, a privacy-by-design AI assistant integrated into the Kadi research data ecosystem, enabling researchers to efficiently access, aggregate, and synthesize information from heterogeneous, privacy-sensitive research data. Interdisciplinary fields such as materials science bring together disciplines with their own terminology and standards. While this convergence fuels innovation, it also makes it increasingly difficult to connect and access knowledge, as data are distributed across disciplines, organizations, and individuals. For example, battery research combines electrochemical measurements, materials characterization data, physics-based simulations, and manufacturing parameters, each using different formats, vocabularies, and standards. Efficiently storing and sharing such heterogeneous data via research data platforms, such as Kadi4Mat, demands domain knowledge, technical expertise, and familiarity with metadata schemas and interfaces. Research data also vary in sensitivity: newly generated 'warm' data are often private, whereas published 'cold' data are usually openly accessible. The Kadi ecosystem offers fine-grained access control needed for sensitive data. A solution for efficient information retrieval in Kadi must therefore respect the fine-grained access permissions. To address these intertwined challenges of information retrieval, strong data privacy, and complex access control, KadiAssistant combines a self-hosted large language model (LLM) with a privacy-preserving semantic search, inspired by retrieval-augmented generation, that can access files and record metadata on Kadi. This allows the assistant to screen, aggregate, and structure information into a highly informative answer. KadiAssistant therefore bridges terminology and standards, lowers access barriers for researchers, and strengthens the Findable pillar of FAIR data principles.

cs.IR↗

arXiv2025

Unsupervised Segmentation of Micro-CT Scans of Polyurethane Structures By Combining Hidden-Markov-Random Fields and a U-Net

Extracting digital material representations from images is a necessary prerequisite for a quantitative analysis of material properties. Different segmentation approaches have been extensively studied in the past to achieve this task, but were often lacking accuracy or speed. With the advent of machine learning, supervised convolutional neural networks (CNNs) have achieved state-of-the-art performance for different segmentation tasks. However, these models are often trained in a supervised manner, which requires large labeled datasets. Unsupervised approaches do not require ground-truth data for learning, but suffer from long segmentation times and often worse segmentation accuracy. Hidden Markov Random Fields (HMRF) are an unsupervised segmentation approach that incorporates concepts of neighborhood and class distributions. We present a method that integrates HMRF theory and CNN segmentation, leveraging the advantages of both areas: unsupervised learning and fast segmentation times. We investigate the contribution of different neighborhood terms and components for the unsupervised HMRF loss. We demonstrate that the HMRF-UNet enables high segmentation accuracy without ground truth on a Micro-Computed Tomography ($μ$CT) image dataset of Polyurethane (PU) foam structures. Finally, we propose and demonstrate a pre-training strategy that considerably reduces the required amount of ground-truth data when training a segmentation model.

cs.CV↗

arXiv2023

A U-Net-Based Self-Stitching Method for Generating Periodic Grain Structures

When modeling microstructures, the computational resource requirements increase rapidly as the simulation domain becomes larger. As a result, simulating a small representative fraction under periodic boundary conditions is often a necessary simplification. However, the truncated structures leave nonphysical boundaries, which are detrimental to numerical modeling. Here, we propose a self-stitching algorithm for generating periodic structures, demonstrated in a grain structure. The main idea of our algorithm is to artificially add structural information between mismatched boundary pairs, using the hierarchical spatial predictions of the U-Net. The algorithm provides an automatic and unbiased way to obtain periodic boundaries in grain structures and can be applied to porous microstructures in a similar way.

cond-mat.mtrl-sci↗

arXiv2021

Data-driven analysis of grain-growth kinetics in duplex and triplex systems

During grain growth in multiphase system, a convincing understanding on how the evolution kinetics of an individual phase-grains relates to the growth rate of entire microstructure is yet to be achieved. Therefore, in this work, comfortably comprehensible statistical tools are employed to realise the influence of the evolving phase-grains on the overall grain-growth kinetics of multiphase systems, both duplex and triplex, with varying phase-fractions. A dataset capable of rendering statistically significant, and accessible, information is built by modelling, and analysing, grain growth in twenty different polycrystalline systems, comprising of fourteen triplex and five duplex microstructures with varying phase-fractions, and one homogeneous single-phase system, in multiphase-field framework. Statistical analyses of these wide-range of microstructures unravel that, during isotropic grain-growth, the overall evolution kinetics of the duplex and triplex systems are principally governed by the growth-rate of the major-phase grains, irrespective of the phase-fractions. Furthermore, through multiple non-linear regression, it is realised that with increase in the volume-fraction of the major-phase grains, the overall isotropic grain-growth rate exhibited by duplex and triplex microstructures increase in accordance with a definite exponential relation. Additionally, the present investigation unravels that, while the evolution of individual phase-grains during grain growth in triplex microstructures exhibit a level of interdependency, the least interaction is observed between the grains of minor-phases with relatively low volume-fraction.

cond-mat.mtrl-sci↗

arXiv2021

Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models

(Artificial) neural networks have become increasingly popular in mechanics to accelerate computations with model order reduction techniques and as universal models for a wide variety of materials. However, the major disadvantage of neural networks remains: their numerous parameters are challenging to interpret and explain. Thus, neural networks are often labeled as black boxes, and their results often elude human interpretation. In mechanics, the new and active field of physics-informed neural networks attempts to mitigate this disadvantage by designing deep neural networks on the basis of mechanical knowledge. By using this a priori knowledge, deeper and more complex neural networks became feasible, since the mechanical assumptions could be explained. However, the internal reasoning and explanation of neural network parameters remain mysterious. Complementary to the physics-informed approach, we propose a first step towards a physics-informing approach, which explains neural networks trained on mechanical data a posteriori. This novel explainable artificial intelligence approach aims at elucidating the black box of neural networks and their high-dimensional representations. Therein, the principal component analysis decorrelates the distributed representations in cell states of RNNs and allows the comparison to known and fundamental functions. The novel approach is supported by a systematic hyperparameter search strategy that identifies the best neural network architectures and training parameters. The findings of three case studies on fundamental constitutive models (hyperelasticity, elastoplasticity, and viscoelasticity) imply that the proposed strategy can help identify numerical and analytical closed-form solutions to characterize new materials.

cs.LG↗