On the Convergence of Locally Adaptive and Scalable Diffusion-Based Sampling Methods for Deep Bayesian Neural Network Posteriors

Achieving robust uncertainty quantification for deep neural networks represents an important requirement in many real-world applications of deep learning such as medical imaging where it is necessary to assess the reliability of a neural network's prediction. Bayesian neural networks are a promising approach for modeling uncertainties in deep neural networks. Unfortunately, generating samples from the posterior distribution of neural networks is a major challenge. One significant advance in that direction would be the incorporation of adaptive step sizes, similar to modern neural network optimizers, into Monte Carlo Markov chain sampling algorithms without significantly increasing computational demand. Over the past years, several papers have introduced sampling algorithms with claims that they achieve this property. However, do they indeed converge to the correct distribution? In this paper, we demonstrate that these methods can have a substantial bias in the distribution they sample, even in the limit of vanishing step sizes and at full batch size.

Position Paper on Materials Design -- A Modern Approach

Traditional design cycles for new materials and assemblies have two fundamental drawbacks. The underlying physical relationships are often too complex to be precisely calculated and described. Aside from that, many unknown uncertainties, such as exact manufacturing parameters or materials composition, dominate the real assembly behavior. Machine learning (ML) methods overcome these fundamental limitations through data-driven learning. In addition, modern approaches can specifically increase system knowledge. Representation Learning allows the physical, and if necessary, even symbolic interpretation of the learned solution. In this way, the most complex physical relationships can be considered and quickly described. Furthermore, generative ML approaches can synthesize possible morphologies of the materials based on defined conditions to visualize the effects of uncertainties. This modern approach accelerates the design process for new materials and enables the prediction and interpretation of realistic materials behavior.

Diagnosis driven Anomaly Detection for CPS

In Cyber-Physical Systems (CPS) research, anomaly detection (detecting abnormal behavior) and diagnosis (identifying the underlying root cause) are often treated as distinct, isolated tasks. However, diagnosis algorithms require symptoms, i.e. temporally and spatially isolated anomalies, as input. Thus, anomaly detection and diagnosis must be developed together to provide a holistic solution for diagnosis in CPS. We therefore propose a method for utilizing deep learning-based anomaly detection to generate inputs for Consistency-Based Diagnosis (CBD). We evaluate our approach on a simulated and a real-world CPS dataset, where our model demonstrates strong performance relative to other state-of-the-art models.

A Generative Neural Network Approach for 3D Multi-Criteria Design Generation and Optimization of an Engine Mount for an Unmanned Air Vehicle

One of the most promising developments in computer vision in recent years is the use of generative neural networks for functionality condition-based 3D design reconstruction and generation. Here, neural networks learn dependencies between functionalities and a geometry in a very effective way. For a neural network the functionalities are translated in conditions to a certain geometry. But the more conditions the design generation needs to reflect, the more difficult it is to learn clear dependencies. This leads to a multi criteria design problem due various conditions, which are not considered in the neural network structure so far. In this paper, we address this multi-criteria challenge for a 3D design use case related to an unmanned aerial vehicle (UAV) motor mount. We generate 10,000 abstract 3D designs and subject them all to simulations for three physical disciplines: mechanics, thermodynamics, and aerodynamics. Then, we train a Conditional Variational Autoencoder (CVAE) using the geometry and corresponding multicriteria functional constraints as input. We use our trained CVAE as well as the Marching cubes algorithm to generate meshes for simulation based evaluation. The results are then evaluated with the generated UAV designs. Subsequently, we demonstrate the ability to generate optimized designs under self-defined functionality conditions using the trained neural network.

Discret2Di -- Deep Learning based Discretization for Model-based Diagnosis

Consistency-based diagnosis is an established approach to diagnose technical applications, but suffers from significant modeling efforts, especially for dynamic multi-modal time series. Machine learning seems to be an obvious solution, which becomes less obvious when looking at details: Which notion of consistency can be used? If logical calculi are still to be used, how can dynamic time series be transferred into the discrete world? This paper presents the methodology Discret2Di for automated learning of logical expressions for consistency-based diagnosis. While these logical calculi have advantages by providing a clear notion of consistency, they have the key problem of relying on a discretization of the dynamic system. The solution presented combines machine learning from both the time series and the symbolic domain to automate the learning of logical rules for consistency-based diagnosis.

Graph Structural Residuals: A Learning Approach to Diagnosis

Traditional model-based diagnosis relies on constructing explicit system models, a process that can be laborious and expertise-demanding. In this paper, we propose a novel framework that combines concepts of model-based diagnosis with deep graph structure learning. This data-driven approach leverages data to learn the system's underlying structure and provide dynamic observations, represented by two distinct graph adjacency matrices. Our work facilitates a seamless integration of graph structure learning with model-based diagnosis by making three main contributions: (i) redefining the constructs of system representation, observations, and faults (ii) introducing two distinct versions of a self-supervised graph structure learning model architecture and (iii) demonstrating the potential of our data-driven diagnostic method through experiments on a system of coupled oscillators.

Using Autoencoders and AutoDiff to Reconstruct Missing Variables in a Set of Time Series

Existing black box modeling approaches in machine learning suffer from a fixed input and output feature combination. In this paper, a new approach to reconstruct missing variables in a set of time series is presented. An autoencoder is trained as usual with every feature on both sides and the neural network parameters are fixed after this training. Then, the searched variables are defined as missing variables at the autoencoder input and optimized via automatic differentiation. This optimization is performed with respect to the available features loss calculation. With this method, different input and output feature combinations of the trained model can be realized by defining the searched variables as missing variables and reconstructing them. The combination can be changed without training the autoencoder again. The approach is evaluated on the base of a strongly nonlinear electrical component. It is working well for one of four variables missing and generally even for multiple missing variables.

Robustness and Generalization Performance of Deep Learning Models on Cyber-Physical Systems: A Comparative Study

Deep learning (DL) models have seen increased attention for time series forecasting, yet the application on cyber-physical systems (CPS) is hindered by the lacking robustness of these methods. Thus, this study evaluates the robustness and generalization performance of DL architectures on multivariate time series data from CPS. Our investigation focuses on the models' ability to handle a range of perturbations, such as sensor faults and noise, and assesses their impact on overall performance. Furthermore, we test the generalization and transfer learning capabilities of these models by exposing them to out-of-distribution (OOD) samples. These include deviations from standard system operations, while the core dynamics of the underlying physical system are preserved. Additionally, we test how well the models respond to several data augmentation techniques, including added noise and time warping. Our experimental framework utilizes a simulated three-tank system, proposed as a novel benchmark for evaluating the robustness and generalization performance of DL algorithms in CPS data contexts. The findings reveal that certain DL model architectures and training techniques exhibit superior effectiveness in handling OOD samples and various perturbations. These insights have significant implications for the development of DL models that deliver reliable and robust performance in real-world CPS applications.

A Diagnosis Algorithms for a Rotary Indexing Machine

Rotary Indexing Machines (RIMs) are widely used in manufacturing due to their ability to perform multiple production steps on a single product without manual repositioning, reducing production time and improving accuracy and consistency. Despite their advantages, little research has been done on diagnosing faults in RIMs, especially from the perspective of the actual production steps carried out on these machines. Long downtimes due to failures are problematic, especially for smaller companies employing these machines. To address this gap, we propose a diagnosis algorithm based on the product perspective, which focuses on the product being processed by RIMs. The algorithm traces the steps that a product takes through the machine and is able to diagnose possible causes in case of failure. We also analyze the properties of RIMs and how these influence the diagnosis of faults in these machines. Our contributions are three-fold. Firstly, we provide an analysis of the properties of RIMs and how they influence the diagnosis of faults in these machines. Secondly, we suggest a diagnosis algorithm based on the product perspective capable of diagnosing faults in such a machine. Finally, we test this algorithm on a model of a rotary indexing machine, demonstrating its effectiveness in identifying faults and their root causes.