arXiv subjects

Bernhard C. Geiger

Publications and source records attributed to Bernhard C. Geiger.

At least 37 records · Page 2Linked to original sources

arXiv2023

Robust Bayesian Target Value Optimization

We consider the problem of finding an input to a stochastic black box function such that the scalar output of the black box function is as close as possible to a target value in the sense of the expected squared error. While the optimization of stochastic black boxes is classic in (robust) Bayesian optimization, the current approaches based on Gaussian processes predominantly focus either on i) maximization/minimization rather than target value optimization or ii) on the expectation, but not the variance of the output, ignoring output variations due to stochasticity in uncontrollable environmental variables. In this work, we fill this gap and derive acquisition functions for common criteria such as the expected improvement, the probability of improvement, and the lower confidence bound, assuming that aleatoric effects are Gaussian with known variance. Our experiments illustrate that this setting is compatible with certain extensions of Gaussian processes, and show that the thus derived acquisition functions can outperform classical Bayesian optimization even if the latter assumptions are violated. An industrial use case in billet forging is presented.

cs.LG↗

arXiv2022

Compressed Hierarchical Representations for Multi-Task Learning and Task Clustering

In this paper, we frame homogeneous-feature multi-task learning (MTL) as a hierarchical representation learning problem, with one task-agnostic and multiple task-specific latent representations. Drawing inspiration from the information bottleneck principle and assuming an additive independent noise model between the task-agnostic and task-specific latent representations, we limit the information contained in each task-specific representation. It is shown that our resulting representations yield competitive performance for several MTL benchmarks. Furthermore, for certain setups, we show that the trained parameters of the additive noise model are closely related to the similarity of different tasks. This indicates that our approach yields a task-agnostic representation that is disentangled in the sense that its individual dimensions may be interpretable from a task-specific perspective.

cs.LG↗

arXiv2022

Generating Simple Directed Social Network Graphs for Information Spreading

Online social networks are a dominant medium in everyday life to stay in contact with friends and to share information. In Twitter, users can connect with other users by following them, who in turn can follow back. In recent years, researchers studied several properties of social networks and designed random graph models to describe them. Many of these approaches either focus on the generation of undirected graphs or on the creation of directed graphs without modeling the dependencies between reciprocal (i.e., two directed edges of opposite direction between two nodes) and directed edges. We propose an approach to generate directed social network graphs that creates reciprocal and directed edges and considers the correlation between the respective degree sequences. Our model relies on crawled directed graphs in Twitter, on which information w.r.t. a topic is exchanged or disseminated. While these graphs exhibit a high clustering coefficient and small average distances between random node pairs (which is typical in real-world networks), their degree sequences seem to follow a $χ^2$-distribution rather than power law. To achieve high clustering coefficients, we apply an edge rewiring procedure that preserves the node degrees. We compare the crawled and the created graphs, and simulate certain algorithms for information dissemination and epidemic spreading on them. The results show that the created graphs exhibit very similar topological and algorithmic properties as the real-world graphs, providing evidence that they can be used as surrogates in social network analysis. Furthermore, our model is highly scalable, which enables us to create graphs of arbitrary size with almost the same properties as the corresponding real-world networks.

cs.SI↗

arXiv2022

Information-Theoretic Reduction of Markov Chains

We survey information-theoretic approaches to the reduction of Markov chains. Our survey is structured in two parts: The first part considers Markov chain coarse graining, which focuses on projecting the Markov chain to a process on a smaller state space that is informative}about certain quantities of interest. The second part considers Markov chain model reduction, which focuses on replacing the original Markov model by a simplified one that yields similar behavior as the original Markov model. We discuss the practical relevance of both approaches in the field of knowledge discovery and data mining by formulating problems of unsupervised machine learning as reduction problems of Markov chains. Finally, we briefly discuss the concept of lumpability, the phenomenon when a coarse graining yields a reduced Markov model.

cs.IT↗

arXiv2022

Semi-Supervised Clustering via Information-Theoretic Markov Chain Aggregation

We connect the problem of semi-supervised clustering to constrained Markov aggregation, i.e., the task of partitioning the state space of a Markov chain. We achieve this connection by considering every data point in the dataset as an element of the Markov chain's state space, by defining the transition probabilities between states via similarities between corresponding data points, and by incorporating semi-supervision information as hard constraints in a Hartigan-style algorithm. The introduced Constrained Markov Clustering (CoMaC) is an extension of a recent information-theoretic framework for (unsupervised) Markov aggregation to the semi-supervised case. Instantiating CoMaC for certain parameter settings further generalizes two previous information-theoretic objectives for unsupervised clustering. Our results indicate that CoMaC is competitive with the state-of-the-art.

cs.LG↗

arXiv2022

Knock Detection in Combustion Engine Time Series Using a Theory-Guided 1D Convolutional Neural Network Approach

This paper introduces a method for the detection of knock occurrences in an internal combustion engine (ICE) using a 1D convolutional neural network trained on in-cylinder pressure data. The model architecture was based on considerations regarding the expected frequency characteristics of knocking combustion. To aid the feature extraction, all cycles were reduced to 60° CA long windows, with no further processing applied to the pressure traces. The neural networks were trained exclusively on in-cylinder pressure traces from multiple conditions and labels provided by human experts. The best-performing model architecture achieves an accuracy of above 92% on all test sets in a tenfold cross-validation when distinguishing between knocking and non-knocking cycles. In a multi-class problem where each cycle was labeled by the number of experts who rated it as knocking, 78% of cycles were labeled perfectly, while 90% of cycles were classified at most one class from ground truth. They thus considerably outperform the broadly applied MAPO (Maximum Amplitude of Pressure Oscillation) detection method, as well as other references reconstructed from previous works. Our analysis indicates that the neural network learned physically meaningful features connected to engine-characteristic resonance frequencies, thus verifying the intended theory-guided data science approach. Deeper performance investigation further shows remarkable generalization ability to unseen operating points. In addition, the model proved to classify knocking cycles in unseen engines with increased accuracy of 89% after adapting to their features via training on a small number of exclusively non-knocking cycles. The algorithm takes below 1 ms (on CPU) to classify individual cycles, effectively making it suitable for real-time engine control.

cs.LG↗

arXiv2021

On Information Plane Analyses of Neural Network Classifiers -- A Review

We review the current literature concerned with information plane analyses of neural network classifiers. While the underlying information bottleneck theory and the claim that information-theoretic compression is causally linked to generalization are plausible, empirical evidence was found to be both supporting and conflicting. We review this evidence together with a detailed analysis of how the respective information quantities were estimated. Our survey suggests that compression visualized in information planes is not necessarily information-theoretic, but is rather often compatible with geometric compression of the latent representations. This insight gives the information plane a renewed justification. Aside from this, we shed light on the problem of estimating mutual information in deterministic neural networks and its consequences. Specifically, we argue that even in feed-forward neural networks the data processing inequality need not hold for estimates of mutual information. Similarly, while a fitting phase, in which the mutual information between the latent representation and the target increases, is necessary (but not sufficient) for good classification performance, depending on the specifics of mutual information estimation such a fitting phase need not be visible in the information plane.

cs.LG↗

arXiv2021

Understanding Neural Networks and Individual Neuron Importance via Information-Ordered Cumulative Ablation

In this work, we investigate the use of three information-theoretic quantities -- entropy, mutual information with the class variable, and a class selectivity measure based on Kullback-Leibler divergence -- to understand and study the behavior of already trained fully-connected feed-forward neural networks. We analyze the connection between these information-theoretic quantities and classification performance on the test set by cumulatively ablating neurons in networks trained on MNIST, FashionMNIST, and CIFAR-10. Our results parallel those recently published by Morcos et al., indicating that class selectivity is not a good indicator for classification performance. However, looking at individual layers separately, both mutual information and class selectivity are positively correlated with classification performance, at least for networks with ReLU activation functions. We provide explanations for this phenomenon and conclude that it is ill-advised to compare the proposed information-theoretic quantities across layers. Furthermore, we show that cumulative ablation of neurons with ascending or descending information-theoretic quantities can be used to formulate hypotheses regarding the joint behavior of multiple neurons, such as redundancy and synergy, with comparably low computational cost. We also draw connections to the information bottleneck theory for neural networks.

cs.LG↗

arXiv2021

Importance of feature engineering and database selection in a machine learning model: A case study on carbon crystal structures

Drive towards improved performance of machine learning models has led to the creation of complex features representing a database of condensed matter systems. The complex features, however, do not offer an intuitive explanation on which physical attributes do improve the performance. The effect of the database on the performance of the trained model is often neglected. In this work we seek to understand in depth the effect that the choice of features and the properties of the database have on a machine learning application. In our experiments, we consider the complex phase space of carbon as a test case, for which we use a set of simple, human understandable and cheaply computable features for the aim of predicting the total energy of the crystal structure. Our study shows that (i) the performance of the machine learning model varies depending on the set of features and the database, (ii) is not transferable to every structure in the phase space and (iii) depends on how well structures are represented in the database.

cond-mat.mtrl-sci↗

arXiv2021

Synwalk -- Community Detection via Random Walk Modelling

Complex systems, abstractly represented as networks, are ubiquitous in everyday life. Analyzing and understanding these systems requires, among others, tools for community detection. As no single best community detection algorithm can exist, robustness across a wide variety of problem settings is desirable. In this work, we present Synwalk, a random walk-based community detection method. Synwalk builds upon a solid theoretical basis and detects communities by synthesizing the random walk induced by the given network from a class of candidate random walks. We thoroughly validate the effectiveness of our approach on synthetic and empirical networks, respectively, and compare Synwalk's performance with the performance of Infomap and Walktrap. Our results indicate that Synwalk performs robustly on networks with varying mixing parameters and degree distributions. We outperform Infomap on networks with high mixing parameter, and Infomap and Walktrap on networks with many small communities and low average degree. Our work has a potential to inspire further development of community detection via synthesis of random walks and we provide concrete ideas for future research.

cs.SI↗

arXiv2020

On Functions of Markov Random Fields

We derive two sufficient conditions for a function of a Markov random field (MRF) on a given graph to be a MRF on the same graph. The first condition is information-theoretic and parallels a recent information-theoretic characterization of lumpability of Markov chains. The second condition, which is easier to check, is based on the potential functions of the corresponding Gibbs field. We illustrate our sufficient conditions at the hand of several examples and discuss implications for practical applications of MRFs. As a side result, we give a partial characterization of functions of MRFs that are information-preserving.

cs.IT↗

arXiv2020

SeGMA: Semi-Supervised Gaussian Mixture Auto-Encoder

We propose a semi-supervised generative model, SeGMA, which learns a joint probability distribution of data and their classes and which is implemented in a typical Wasserstein auto-encoder framework. We choose a mixture of Gaussians as a target distribution in latent space, which provides a natural splitting of data into clusters. To connect Gaussian components with correct classes, we use a small amount of labeled data and a Gaussian classifier induced by the target distribution. SeGMA is optimized efficiently due to the use of Cramer-Wold distance as a maximum mean discrepancy penalty, which yields a closed-form expression for a mixture of spherical Gaussian components and thus obviates the need of sampling. While SeGMA preserves all properties of its semi-supervised predecessors and achieves at least as good generative performance on standard benchmark data sets, it presents additional features: (a) interpolation between any pair of points in the latent space produces realistically-looking samples; (b) combining the interpolation property with disentangled class and style variables, SeGMA is able to perform a continuous style transfer from one class to another; (c) it is possible to change the intensity of class characteristics in a data point by moving the latent representation of the data point away from specific Gaussian components.

cs.LG↗

arXiv2020

A Formally Robust Time Series Distance Metric

Distance-based classification is among the most competitive classification methods for time series data. The most critical component of distance-based classification is the selected distance function. Past research has proposed various different distance metrics or measures dedicated to particular aspects of real-world time series data, yet there is an important aspect that has not been considered so far: Robustness against arbitrary data contamination. In this work, we propose a novel distance metric that is robust against arbitrarily "bad" contamination and has a worst-case computational complexity of $\mathcal{O}(n\log n)$. We formally argue why our proposed metric is robust, and demonstrate in an empirical evaluation that the metric yields competitive classification accuracy when applied in k-Nearest Neighbor time series classification.

cs.LG↗

arXiv2019

On the Information Dimension of Stochastic Processes

In 1959, Rényi proposed the information dimension and the $d$-dimensional entropy to measure the information content of general random variables. This paper proposes a generalization of information dimension to stochastic processes by defining the information dimension rate as the entropy rate of the uniformly-quantized stochastic process divided by minus the logarithm of the quantizer step size $1/m$ in the limit as $m\to\infty$. It is demonstrated that the information dimension rate coincides with the rate-distortion dimension, defined as twice the rate-distortion function $R(D)$ of the stochastic process divided by $-\log(D)$ in the limit as $D\downarrow 0$. It is further shown that, among all multivariate stationary processes with a given (matrix-valued) spectral distribution function (SDF), the Gaussian process has the largest information dimension rate, and that the information dimension rate of multivariate stationary Gaussian processes is given by the average rank of the derivative of the SDF. The presented results reveal that the fundamental limits of almost zero-distortion recovery via compressible signal pursuit and almost lossless analog compression are different in general.

cs.IT↗

arXiv2019

Class-Conditional Compression and Disentanglement: Bridging the Gap between Neural Networks and Naive Bayes Classifiers

In this draft, which reports on work in progress, we 1) adapt the information bottleneck functional by replacing the compression term by class-conditional compression, 2) relax this functional using a variational bound related to class-conditional disentanglement, 3) consider this functional as a training objective for stochastic neural networks, and 4) show that the latent representations are learned such that they can be used in a naive Bayes classifier. We continue by suggesting a series of experiments along the lines of Nonlinear In-formation Bottleneck [Kolchinsky et al., 2018], Deep Variational Information Bottleneck [Alemi et al., 2017], and Information Dropout [Achille and Soatto, 2018]. We furthermore suggest a neural network where the decoder architecture is a parameterized naive Bayes decoder.

cs.LG↗

arXiv2019

Learning Representations for Neural Network-Based Classification Using the Information Bottleneck Principle

In this theory paper, we investigate training deep neural networks (DNNs) for classification via minimizing the information bottleneck (IB) functional. We show that the resulting optimization problem suffers from two severe issues: First, for deterministic DNNs, either the IB functional is infinite for almost all values of network parameters, making the optimization problem ill-posed, or it is piecewise constant, hence not admitting gradient-based optimization methods. Second, the invariance of the IB functional under bijections prevents it from capturing properties of the learned representation that are desirable for classification, such as robustness and simplicity. We argue that these issues are partly resolved for stochastic DNNs, DNNs that include a (hard or soft) decision rule, or by replacing the IB functional with related, but more well-behaved cost functions. We conclude that recent successes reported about training DNNs using the IB framework must be attributed to such solutions. As a side effect, our results indicate limitations of the IB framework for the analysis of DNNs. We also note that rather than trying to repair the inherent problems in the IB functional, a better approach may be to design regularizers on latent representation enforcing the desired properties directly.

cs.LG↗

arXiv2018

A Short Note on the Jensen-Shannon Divergence between Simple Mixture Distributions

This short note presents results about the symmetric Jensen-Shannon divergence between two discrete mixture distributions $p_1$ and $p_2$. Specifically, for $i=1,2$, $p_i$ is the mixture of a common distribution $q$ and a distribution $\tilde{p}_i$ with mixture proportion $λ_i$. In general, $\tilde{p}_1\neq \tilde{p}_2$ and $λ_1\neqλ_2$. We provide experimental and theoretical insight to the behavior of the symmetric Jensen-Shannon divergence between $p_1$ and $p_2$ as the mixture proportions or the divergence between $\tilde{p}_1$ and $\tilde{p}_2$ change. We also provide insight into scenarios where the supports of the distributions $\tilde{p}_1$, $\tilde{p}_2$, and $q$ do not coincide.

cs.IT↗

arXiv2018

Co-Clustering via Information-Theoretic Markov Aggregation

We present an information-theoretic cost function for co-clustering, i.e., for simultaneous clustering of two sets based on similarities between their elements. By constructing a simple random walk on the corresponding bipartite graph, our cost function is derived from a recently proposed generalized framework for information-theoretic Markov chain aggregation. The goal of our cost function is to minimize relevant information loss, hence it connects to the information bottleneck formalism. Moreover, via the connection to Markov aggregation, our cost function is not ad hoc, but inherits its justification from the operational qualities associated with the corresponding Markov aggregation problem. We furthermore show that, for appropriate parameter settings, our cost function is identical to well-known approaches from the literature, such as Information-Theoretic Co-Clustering of Dhillon et al. Hence, understanding the influence of this parameter admits a deeper understanding of the relationship between previously proposed information-theoretic cost functions. We highlight some strengths and weaknesses of the cost function for different parameters. We also illustrate the performance of our cost function, optimized with a simple sequential heuristic, on several synthetic and real-world data sets, including the Newsgroup20 and the MovieLens100k data sets.

cs.LG↗