arXiv subjects

Stephan Günnemann

Publications and source records attributed to Stephan Günnemann.

At least 181 records · Page 10Linked to original sources

arXiv2021

Adversarial Attacks on Neural Networks for Graph Data

Deep learning models for graphs have achieved strong performance for the task of node classification. Despite their proliferation, currently there is no study of their robustness to adversarial attacks. Yet, in domains where they are likely to be used, e.g. the web, adversaries are common. Can deep learning models for graphs be easily fooled? In this work, we introduce the first study of adversarial attacks on attributed graphs, specifically focusing on models exploiting ideas of graph convolutions. In addition to attacks at test time, we tackle the more challenging class of poisoning/causative attacks, which focus on the training phase of a machine learning model. We generate adversarial perturbations targeting the node's features and the graph structure, thus, taking the dependencies between instances in account. Moreover, we ensure that the perturbations remain unnoticeable by preserving important data characteristics. To cope with the underlying discrete domain we propose an efficient algorithm Nettack exploiting incremental computations. Our experimental study shows that accuracy of node classification significantly drops even when performing only few perturbations. Even more, our attacks are transferable: the learned attacks generalize to other state-of-the-art node classification models and unsupervised approaches, and likewise are successful even when only limited knowledge about the graph is given.

stat.ML↗

arXiv2021

OODformer: Out-Of-Distribution Detection Transformer

A serious problem in image classification is that a trained model might perform well for input data that originates from the same distribution as the data available for model training, but performs much worse for out-of-distribution (OOD) samples. In real-world safety-critical applications, in particular, it is important to be aware if a new data point is OOD. To date, OOD detection is typically addressed using either confidence scores, auto-encoder based reconstruction, or by contrastive learning. However, the global image context has not yet been explored to discriminate the non-local objectness between in-distribution and OOD samples. This paper proposes a first-of-its-kind OOD detection architecture named OODformer that leverages the contextualization capabilities of the transformer. Incorporating the trans\-former as the principal feature extractor allows us to exploit the object concepts and their discriminate attributes along with their co-occurrence via visual attention. Using the contextualised embedding, we demonstrate OOD detection using both class-conditioned latent space similarity and a network confidence score. Our approach shows improved generalizability across various datasets. We have achieved a new state-of-the-art result on CIFAR-10/-100 and ImageNet30.

cs.CV↗

arXiv2021

A Model-Driven Approach to Machine Learning and Software Modeling for the IoT

Models are used in both Software Engineering (SE) and Artificial Intelligence (AI). SE models may specify the architecture at different levels of abstraction and for addressing different concerns at various stages of the software development life-cycle, from early conceptualization and design, to verification, implementation, testing and evolution. However, AI models may provide smart capabilities, such as prediction and decision-making support. For instance, in Machine Learning (ML), which is currently the most popular sub-discipline of AI, mathematical models may learn useful patterns in the observed data and can become capable of making predictions. The goal of this work is to create synergy by bringing models in the said communities together and proposing a holistic approach to model-driven software development for intelligent systems that require ML. We illustrate how software models can become capable of creating and dealing with ML models in a seamless manner. The main focus is on the domain of the Internet of Things (IoT), where both ML and model-driven SE play a key role. In the context of the need to take a Cyber-Physical System-of-Systems perspective of the targeted architecture, an integrated design environment for both SE and ML sub-systems would best support the optimization and overall efficiency of the implementation of the resulting system. In particular, we implement the proposed approach, called ML-Quadrat, based on ThingML, and validate it using a case study from the IoT domain, as well as through an empirical user evaluation. It transpires that the proposed approach is not only feasible, but may also contribute to the performance leap of software development for smart Cyber-Physical Systems (CPS) which are connected to the IoT, as well as an enhanced user experience of the practitioners who use the proposed modeling solution.

cs.SE↗

arXiv2021

Graph Posterior Network: Bayesian Predictive Uncertainty for Node Classification

The interdependence between nodes in graphs is key to improve class predictions on nodes and utilized in approaches like Label Propagation (LP) or in Graph Neural Networks (GNN). Nonetheless, uncertainty estimation for non-independent node-level predictions is under-explored. In this work, we explore uncertainty quantification for node classification in three ways: (1) We derive three axioms explicitly characterizing the expected predictive uncertainty behavior in homophilic attributed graphs. (2) We propose a new model Graph Posterior Network (GPN) which explicitly performs Bayesian posterior updates for predictions on interdependent nodes. GPN provably obeys the proposed axioms. (3) We extensively evaluate GPN and a strong set of baselines on semi-supervised node classification including detection of anomalous features, and detection of left-out classes. GPN outperforms existing approaches for uncertainty estimation in the experiments.

stat.ML↗

arXiv2021

Neural Flows: Efficient Alternative to Neural ODEs

Neural ordinary differential equations describe how values change in time. This is the reason why they gained importance in modeling sequential data, especially when the observations are made at irregular intervals. In this paper we propose an alternative by directly modeling the solution curves - the flow of an ODE - with a neural network. This immediately eliminates the need for expensive numerical solvers while still maintaining the modeling capability of neural ODEs. We propose several flow architectures suitable for different applications by establishing precise conditions on when a function defines a valid flow. Apart from computational efficiency, we also provide empirical evidence of favorable generalization performance via applications in time series modeling, forecasting, and density estimation.

cs.LG↗

arXiv2021

A Study of Joint Graph Inference and Forecasting

We study a recent class of models which uses graph neural networks (GNNs) to improve forecasting in multivariate time series. The core assumption behind these models is that there is a latent graph between the time series (nodes) that governs the evolution of the multivariate time series. By parameterizing a graph in a differentiable way, the models aim to improve forecasting quality. We compare four recent models of this class on the forecasting task. Further, we perform ablations to study their behavior under changing conditions, e.g., when disabling the graph-learning modules and providing the ground-truth relations instead. Based on our findings, we propose novel ways of combining the existing architectures.

cs.LG↗

arXiv2021

On Second-order Optimization Methods for Federated Learning

We consider federated learning (FL), where the training data is distributed across a large number of clients. The standard optimization method in this setting is Federated Averaging (FedAvg), which performs multiple local first-order optimization steps between communication rounds. In this work, we evaluate the performance of several second-order distributed methods with local steps in the FL setting which promise to have favorable convergence properties. We (i) show that FedAvg performs surprisingly well against its second-order competitors when evaluated under fair metrics (equal amount of local computations)-in contrast to the results of previous work. Based on our numerical study, we propose (ii) a novel variant that uses second-order local information for updates and a global line search to counteract the resulting local specificity.

cs.LG↗

arXiv2021

Neural Temporal Point Processes: A Review

Temporal point processes (TPP) are probabilistic generative models for continuous-time event sequences. Neural TPPs combine the fundamental ideas from point process literature with deep learning approaches, thus enabling construction of flexible and efficient models. The topic of neural TPPs has attracted significant attention in the recent years, leading to the development of numerous new architectures and applications for this class of models. In this review paper we aim to consolidate the existing body of knowledge on neural TPPs. Specifically, we focus on important design choices and general principles for defining neural TPP models. Next, we provide an overview of application areas commonly considered in the literature. We conclude this survey with the list of open challenges and important directions for future work in the field of neural TPPs.

cs.LG↗

arXiv2021

Graphhopper: Multi-Hop Scene Graph Reasoning for Visual Question Answering

Visual Question Answering (VQA) is concerned with answering free-form questions about an image. Since it requires a deep semantic and linguistic understanding of the question and the ability to associate it with various objects that are present in the image, it is an ambitious task and requires multi-modal reasoning from both computer vision and natural language processing. We propose Graphhopper, a novel method that approaches the task by integrating knowledge graph reasoning, computer vision, and natural language processing techniques. Concretely, our method is based on performing context-driven, sequential reasoning based on the scene entities and their semantic and spatial relationships. As a first step, we derive a scene graph that describes the objects in the image, as well as their attributes and their mutual relationships. Subsequently, a reinforcement learning agent is trained to autonomously navigate in a multi-hop manner over the extracted scene graph to generate reasoning paths, which are the basis for deriving answers. We conduct an experimental study on the challenging dataset GQA, based on both manually curated and automatically generated scene graphs. Our results show that we keep up with a human performance on manually curated scene graphs. Moreover, we find that Graphhopper outperforms another state-of-the-art scene graph reasoning model on both manually curated and automatically generated scene graphs by a significant margin.

cs.CV↗

arXiv2021

On Out-of-distribution Detection with Energy-based Models

Several density estimation methods have shown to fail to detect out-of-distribution (OOD) samples by assigning higher likelihoods to anomalous data. Energy-based models (EBMs) are flexible, unnormalized density models which seem to be able to improve upon this failure mode. In this work, we provide an extensive study investigating OOD detection with EBMs trained with different approaches on tabular and image data and find that EBMs do not provide consistent advantages. We hypothesize that EBMs do not learn semantic features despite their discriminative structure similar to Normalizing Flows. To verify this hypotheses, we show that supervision and architectural restrictions improve the OOD detection of EBMs independent of the training approach.

cs.LG↗

arXiv2021

Scalable Normalizing Flows for Permutation Invariant Densities

Modeling sets is an important problem in machine learning since this type of data can be found in many domains. A promising approach defines a family of permutation invariant densities with continuous normalizing flows. This allows us to maximize the likelihood directly and sample new realizations with ease. In this work, we demonstrate how calculating the trace, a crucial step in this method, raises issues that occur both during training and inference, limiting its practicality. We propose an alternative way of defining permutation equivariant transformations that give closed form trace. This leads not only to improvements while training, but also to better final performance. We demonstrate the benefits of our approach on point processes and general set modeling.

cs.LG↗

arXiv2021

Evaluating Robustness of Predictive Uncertainty Estimation: Are Dirichlet-based Models Reliable?

Dirichlet-based uncertainty (DBU) models are a recent and promising class of uncertainty-aware models. DBU models predict the parameters of a Dirichlet distribution to provide fast, high-quality uncertainty estimates alongside with class predictions. In this work, we present the first large-scale, in-depth study of the robustness of DBU models under adversarial attacks. Our results suggest that uncertainty estimates of DBU models are not robust w.r.t. three important tasks: (1) indicating correctly and wrongly classified samples; (2) detecting adversarial examples; and (3) distinguishing between in-distribution (ID) and out-of-distribution (OOD) data. Additionally, we explore the first approaches to make DBU models more robust. While adversarial training has a minor effect, our median smoothing based approach significantly increases robustness of DBU models.

cs.LG↗

arXiv2021

Reachable Sets of Classifiers and Regression Models: (Non-)Robustness Analysis and Robust Training

Neural networks achieve outstanding accuracy in classification and regression tasks. However, understanding their behavior still remains an open challenge that requires questions to be addressed on the robustness, explainability and reliability of predictions. We answer these questions by computing reachable sets of neural networks, i.e. sets of outputs resulting from continuous sets of inputs. We provide two efficient approaches that lead to over- and under-approximations of the reachable set. This principle is highly versatile, as we show. First, we use it to analyze and enhance the robustness properties of both classifiers and regression models. This is in contrast to existing works, which are mainly focused on classification. Specifically, we verify (non-)robustness, propose a robust training procedure, and show that our approach outperforms adversarial attacks as well as state-of-the-art methods of verifying classifiers for non-norm bound perturbations. Second, we provide techniques to distinguish between reliable and non-reliable predictions for unlabeled inputs, to quantify the influence of each feature on a prediction, and compute a feature ranking.

cs.LG↗

arXiv2021

Language-Agnostic Representation Learning of Source Code from Structure and Context

Source code (Context) and its parsed abstract syntax tree (AST; Structure) are two complementary representations of the same computer program. Traditionally, designers of machine learning models have relied predominantly either on Structure or Context. We propose a new model, which jointly learns on Context and Structure of source code. In contrast to previous approaches, our model uses only language-agnostic features, i.e., source code and features that can be computed directly from the AST. Besides obtaining state-of-the-art on monolingual code summarization on all five programming languages considered in this work, we propose the first multilingual code summarization model. We show that jointly training on non-parallel data from multiple programming languages improves results on all individual languages, where the strongest gains are on low-resource languages. Remarkably, multilingual training only from Context does not lead to the same improvements, highlighting the benefits of combining Structure and Context for representation learning on code.

cs.LG↗

arXiv2020

Fast and Flexible Temporal Point Processes with Triangular Maps

Temporal point process (TPP) models combined with recurrent neural networks provide a powerful framework for modeling continuous-time event data. While such models are flexible, they are inherently sequential and therefore cannot benefit from the parallelism of modern hardware. By exploiting the recent developments in the field of normalizing flows, we design TriTPP -- a new class of non-recurrent TPP models, where both sampling and likelihood computation can be done in parallel. TriTPP matches the flexibility of RNN-based methods but permits orders of magnitude faster sampling. This enables us to use the new model for variational inference in continuous-time discrete-state systems. We demonstrate the advantages of the proposed framework on synthetic and real-world datasets.

cs.LG↗

arXiv2020

Reliable Graph Neural Networks via Robust Aggregation

Perturbations targeting the graph structure have proven to be extremely effective in reducing the performance of Graph Neural Networks (GNNs), and traditional defenses such as adversarial training do not seem to be able to improve robustness. This work is motivated by the observation that adversarially injected edges effectively can be viewed as additional samples to a node's neighborhood aggregation function, which results in distorted aggregations accumulating over the layers. Conventional GNN aggregation functions, such as a sum or mean, can be distorted arbitrarily by a single outlier. We propose a robust aggregation function motivated by the field of robust statistics. Our approach exhibits the largest possible breakdown point of 0.5, which means that the bias of the aggregation is bounded as long as the fraction of adversarial edges of a node is less than 50\%. Our novel aggregation function, Soft Medoid, is a fully differentiable generalization of the Medoid and therefore lends itself well for end-to-end deep learning. Equipping a GNN with our aggregation improves the robustness with respect to structure perturbations on Cora ML by a factor of 3 (and 5.5 on Citeseer) and by a factor of 8 for low-degree nodes.

cs.LG↗

arXiv2020

Posterior Network: Uncertainty Estimation without OOD Samples via Density-Based Pseudo-Counts

Accurate estimation of aleatoric and epistemic uncertainty is crucial to build safe and reliable systems. Traditional approaches, such as dropout and ensemble methods, estimate uncertainty by sampling probability predictions from different submodels, which leads to slow uncertainty estimation at inference time. Recent works address this drawback by directly predicting parameters of prior distributions over the probability predictions with a neural network. While this approach has demonstrated accurate uncertainty estimation, it requires defining arbitrary target parameters for in-distribution data and makes the unrealistic assumption that out-of-distribution (OOD) data is known at training time. In this work we propose the Posterior Network (PostNet), which uses Normalizing Flows to predict an individual closed-form posterior distribution over predicted probabilites for any input sample. The posterior distributions learned by PostNet accurately reflect uncertainty for in- and out-of-distribution data -- without requiring access to OOD data at training time. PostNet achieves state-of-the art results in OOD detection and in uncertainty calibration under dataset shifts.

cs.LG↗

arXiv2020

ThingML+ Augmenting Model-Driven Software Engineering for the Internet of Things with Machine Learning

In this paper, we present the current position of the research project ML-Quadrat, which aims to extend the methodology, modeling language and tool support of ThingML - an open source modeling tool for IoT/CPS - to address Machine Learning needs for the IoT applications. Currently, ThingML offers a modeling language and tool support for modeling the components of the system, their communication interfaces as well as their behaviors. The latter is done through state machines. However, we argue that in many cases IoT/CPS services involve system components and physical processes, whose behaviors are not well understood in order to be modeled using state machines. Hence, quite often a data-driven approach that enables inference based on the observed data, e.g., using Machine Learning is preferred. To this aim, ML-Quadrat integrates the necessary Machine Learning concepts into ThingML both on the modeling level (syntax and semantics of the modeling language) and on the code generators level. We plan to support two target platforms for code generation regarding Stream Processing and Complex Event Processing, namely Apache SAMOA and Apama.

cs.SE↗