Martin Uray

Khayyam Nosrati, Martin Uray, Saverio Messineo et al.

Federated learning (FL) has broadened the horizon for multivariate time series anomaly detection (MTSAD). However, benchmarking such anomaly detection methods within FL paradigm poses data-centric challenges. The existing datasets do not counteract these challenges since they do not simultaneously provide sufficient scale, accurate labels, and freedom from common flaws. In addition, the role of cyclic process behavior, which is common in discrete industrial automation, remains underexplored for MTSAD for the current state of research. This paper aims to shed more light on the literature and address these gaps by introducing a dataset designed with cyclic dynamics arising from the repetitive nature of discrete automation processes and evaluates selected MTSAD methods on both the proposed dataset and a public benchmark dataset.

Martin Uray, Barbara Giunti, Michael Kerber et al.

Topological Data Analysis (TDA) is a discipline that applies algebraic topology techniques to analyze complex, multi-dimensional data. Although it is a relatively new field, TDA has been widely and successfully applied across various domains, such as medicine, materials science, and biology. This survey provides an overview of the state of the art of TDA within a dynamic and promising application area: industrial manufacturing and production, particularly within the Industry 4.0 context. We have conducted a rigorous and reproducible literature search focusing on TDA applications in industrial production and manufacturing settings. The identified works are categorized based on their application areas within the manufacturing process and the types of input data. We highlight the principal advantages of TDA tools in this context, address the challenges encountered and the future potential of the field. Furthermore, we identify TDA methods that are currently underexploited in specific industrial areas and discuss how their application could be beneficial, with the aim of stimulating further research in this field. This work seeks to bridge the theoretical advancements in TDA with the practical needs of industrial production. Our goal is to serve as a guide for practitioners and researchers applying TDA in industrial production and manufacturing systems. We advocate for the untapped potential of TDA in this domain and encourage continued exploration and research.

Stefan Huber, Kristóf Huszár, Michael Kerber et al.

We propose an alternative formulation of the well-known Hough transform to detect lines in point clouds. Replacing the discretized voting scheme of the classical Hough transform by a continuous score function, its persistent features in the sense of persistent homology give a set of candidate lines. We also devise and implement an algorithm to efficiently compute these candidate lines.

Martin Uray, Dominik Geng, Florian Graf et al.

Multivariate time series anomaly detection (MTSAD) is critical for a wide range of application areas, such as industrial monitoring, cybersecurity, or healthcare. Real-world data is often sparse, irregularly sampled or partially observed, yet existing methods assume uniformly sampled time series. We propose a generative approach based on Latent SDEs that projects the observed time series on a continuous-time stochastic dynamical system, directly being able to handle missing observations and irregular sampling, while also naturally capturing possible cyclic behavior that many real-world use cases inherently possess. Experiments on six anomaly benchmark datasets show that our proposed method ranks first among state-of-the-art baselines. We further demonstrate that our method remains robust under severe data sparsity, while performance significantly degrades for the tested baseline methods. These results highlight latent SDEs as a natural inductive bias for anomaly detection in multivariate time series, especially in presence of real-world irregularities.

Dominik Geng, Florian Graf, Martin Uray et al.

Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

Johannes Ferner, Stefan Huber, Saverio Messineo et al.

The Hough transform is a popular and classical technique in computer vision for the detection of lines (or more general objects). It maps a pixel into a dual space -- the Hough space: each pixel is mapped to the set of lines through this pixel, which forms a curve in Hough space. The detection of lines then becomes a voting process to find those lines that received many votes by pixels. However, this voting is done by thresholding, which is susceptible to noise and other artifacts. In this work, we present an alternative voting technique to detect peaks in the Hough space based on persistent homology, which very naturally addresses limitations of simple thresholding. Experiments on synthetic data show that our method significantly outperforms the original method, while also demonstrating enhanced robustness. This work seeks to inspire future research in two key directions. First, we highlight the untapped potential of Topological Data Analysis techniques and advocate for their broader integration into existing methods, including well-established ones. Secondly, we initiate a discussion on the mathematical stability of the Hough transform, encouraging exploration of mathematically grounded improvements to enhance its robustness.

Sebastian Zeng, Florian Graf, Martin Uray et al.

We consider the problem of learning the dynamics in the topology of time-evolving point clouds, the prevalent spatiotemporal model for systems exhibiting collective behavior, such as swarms of insects and birds or particles in physics. In such systems, patterns emerge from (local) interactions among self-propelled entities. While several well-understood governing equations for motion and interaction exist, they are notoriously difficult to fit to data, as most prior work requires knowledge about individual motion trajectories, i.e., a requirement that is challenging to satisfy with an increasing number of entities. To evade such confounding factors, we investigate collective behavior from a $\textit{topological perspective}$, but instead of summarizing entire observation sequences (as done previously), we propose learning a latent dynamical model from topological features $\textit{per time point}$. The latter is then used to formulate a downstream regression task to predict the parametrization of some a priori specified governing equation. We implement this idea based on a latent ODE learned from vectorized (static) persistence diagrams and show that a combination of recent stability results for persistent homology justifies this modeling choice. Various (ablation) experiments not only demonstrate the relevance of each model component but provide compelling empirical evidence that our proposed model - $\textit{Neural Persistence Dynamics}$ - substantially outperforms the state-of-the-art across a diverse set of parameter regression tasks.

Simon Schindler, Martin Uray, Stefan Huber

Reinforcement Learning (RL) is a powerful machine learning paradigm that has been applied in various fields such as robotics, natural language processing and game playing achieving state-of-the-art results. Targeted to solve sequential decision making problems, it is by design able to learn from experience and therefore adapt to changing dynamic environments. These capabilities make it a prime candidate for controlling and optimizing complex processes in industry. The key to fully exploiting this potential is the seamless integration of RL into existing industrial systems. The industrial communication standard Open Platform Communications UnifiedArchitecture (OPC UA) could bridge this gap. However, since RL and OPC UA are from different fields,there is a need for researchers to bridge the gap between the two technologies. This work serves to bridge this gap by providing a brief technical overview of both technologies and carrying out a semi-exhaustive literature review to gain insights on how RL and OPC UA are applied in combination. With this survey, three main research topics have been identified, following the intersection of RL with OPC UA. The results of the literature review show that RL is a promising technology for the control and optimization of industrial processes, but does not yet have the necessary standardized interfaces to be deployed in real-world scenarios with reasonably low effort.

Martin Uray, Eduard Hirsch, Gerold Katzinger et al.

Enterprises and labs performing computationally expensive data science applications sooner or later face the problem of scale but unconnected infrastructure. For this up-scaling process, an IT service provider can be hired or in-house personnel can attempt to implement a software stack. The first option can be quite expensive if it is just about connecting several machines. For the latter option often experience is missing with the data science staff in order to navigate through the software jungle. In this technical report, we illustrate the decision process towards an on-premises infrastructure, our implemented system architecture, and the transformation of the software stack towards a scaleable GPU cluster system.

Stefan Wintersteller, Martin Uray, Michael Lehenauer et al.

In this paper we discuss the application of Artificial Intelligence (AI) to the exemplary industrial use case of the two-dimensional commissioning problem in a high-bay storage, which essentially can be phrased as an instance of Traveling Salesperson Problem (TSP). We investigate the mlrose library that provides an TSP optimizer based on various heuristic optimization techniques. Our focus is on two methods, namely Genetic Algorithm (GA) and Hill Climbing (HC), which are provided by mlrose. We present improvements for both methods that yield shorter tour lengths, by moderately exploiting the problem structure of TSP. That is, the proposed improvements have a generic character and are not limited to TSP only.