In this paper, we define and evaluate a weighting scheme for neighborhoods in point sets. Our weighting takes the shape of the geometry, i.e., the normal information, into account. This causes the obtained neighborhoods to be more reliable in the sense that connectivity also depends on the orientation of the point set. We utilize a sigmoid to define the weights based on the normal variation. For an evaluation of the weighting scheme, we turn to a Shannon entropy model for feature classification that can be proven to be non-degenerate for our family of weights. Based on this model, we evaluate our weighting terms on a large scale of both clean and real-world models. This evaluation provides results regarding the choice of optimal parameters within our weighting scheme. Furthermore, the large-scale evaluation also reveals that neighborhood sizes should not be fixed globally when processing models. Finally, we highlight the applicability of our weighting scheme withing the application context of denoising.
We study the problem of robustly estimating the parameter $p$ of an Erd\H{o}s-R\'enyi random graph on $n$ nodes, where a $\gamma$ fraction of nodes may be adversarially corrupted. After showing the deficiencies of canonical estimators, we design a computationally-efficient spectral algorithm which estimates $p$ up to accuracy $\tilde O(\sqrt{p(1-p)}/n + \gamma\sqrt{p(1-p)} /\sqrt{n}+ \gamma/n)$ for $\gamma < 1/60$. Furthermore, we give an inefficient algorithm with similar accuracy for all $\gamma <1/2$, the information-theoretic limit. Finally, we prove a nearly-matching statistical lower bound, showing that the error of our algorithms is optimal up to logarithmic factors.
A density matrix describes the statistical state of a quantum system. It is a powerful formalism to represent both the quantum and classical uncertainty of quantum systems and to express different statistical operations such as measurement, system combination and expectations as linear algebra operations. This paper explores how density matrices can be used as a building block to build machine learning models exploiting their ability to straightforwardly combine linear algebra and probability. One of the main results of the paper is to show that density matrices coupled with random Fourier features could approximate arbitrary probability distributions over $\mathbb{R}^n$. Based on this finding the paper builds different models for density estimation, classification and regression. These models are differentiable, so it is possible to integrate them with other differentiable components, such as deep learning architectures and to learn their parameters using gradient-based optimization. In addition, the paper presents optimization-less training strategies based on estimation and model averaging. The models are evaluated in benchmark tasks and the results are reported and discussed.
Graph Neural Networks (GNNs) are increasingly important given their popularity and the diversity of applications. Yet, existing studies of their vulnerability to adversarial attacks rely on relatively small graphs. We address this gap and study how to attack and defend GNNs at scale. We propose two sparsity-aware first-order optimization attacks that maintain an efficient representation despite optimizing over a number of parameters which is quadratic in the number of nodes. We show that common surrogate losses are not well-suited for global attacks on GNNs. Our alternatives can double the attack strength. Moreover, to improve GNNs' reliability we design a robust aggregation function, Soft Median, resulting in an effective defense at all scales. We evaluate our attacks and defense with standard GNNs on graphs more than 100 times larger compared to previous work. We even scale one order of magnitude further by extending our techniques to a scalable GNN.
The Bayes error rate (BER) is a fundamental concept in machine learning that quantifies the best possible accuracy any classifier can achieve on a fixed probability distribution. Despite years of research on building estimators of lower and upper bounds for the BER, these were usually compared only on synthetic datasets with known probability distributions, leaving two key questions unanswered: (1) How well do they perform on real-world datasets?, and (2) How practical are they? Answering these is not trivial. Apart from the obvious challenge of an unknown BER for real-world datasets, there are two main aspects any BER estimator needs to overcome in order to be applicable in real-world settings: (1) the computational and sample complexity, and (2) the sensitivity and selection of hyper-parameters. In this work, we propose FeeBee, the first principled framework for analyzing and comparing BER estimators on any modern real-world dataset with unknown probability distribution. We achieve this by injecting a controlled amount of label noise and performing multiple evaluations on a series of different noise levels, supported by a theoretical result which allows drawing conclusions about the evolution of the BER. By implementing and analyzing 7 multi-class BER estimators on 6 commonly used datasets of the computer vision and NLP domains, FeeBee allows a thorough study of these estimators, clearly identifying strengths and weaknesses of each, whilst being easily deployable on any future BER estimator.
An effective and efficient architecture performance evaluation scheme is essential for the success of Neural Architecture Search (NAS). To save computational cost, most of existing NAS algorithms often train and evaluate intermediate neural architectures on a small proxy dataset with limited training epochs. But it is difficult to expect an accurate performance estimation of an architecture in such a coarse evaluation way. This paper advocates a new neural architecture evaluation scheme, which aims to determine which architecture would perform better instead of accurately predict the absolute architecture performance. Therefore, we propose a \textbf{relativistic} architecture performance predictor in NAS (ReNAS). We encode neural architectures into feature tensors, and further refining the representations with the predictor. The proposed relativistic performance predictor can be deployed in discrete searching methods to search for the desired architectures without additional evaluation. Experimental results on NAS-Bench-101 dataset suggests that, sampling 424 ($0.1\%$ of the entire search space) neural architectures and their corresponding validation performance is already enough for learning an accurate architecture performance predictor. The accuracies of our searched neural architectures on NAS-Bench-101 and NAS-Bench-201 datasets are higher than that of the state-of-the-art methods and show the priority of the proposed method.
Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN algorithms are based on neural message passing, which enables GNNs to integrate local structures and node features recursively. However, past GNN algorithms based on 1-hop neighborhood neural message passing are exposed to a risk of loss of information on local structures and relationships. In this paper, we propose Neighborhood Edge AggregatoR (NEAR), a novel framework that aggregates relations between the nodes in the neighborhood via edges. NEAR, which can be orthogonally combined with previous GNN algorithms, gives integrated information that describes which nodes in the neighborhood are connected. Therefore, GNNs combined with NEAR reflect each node's local structure beyond the nodes themselves. Experimental results on multiple graph classification tasks show that our algorithm achieves state-of-the-art results.
Large margin nearest neighbor (LMNN) is a metric learner which optimizes the performance of the popular $k$NN classifier. However, its resulting metric relies on pre-selected target neighbors. In this paper, we address the feasibility of LMNN's optimization constraints regarding these target points, and introduce a mathematical measure to evaluate the size of the feasible region of the optimization problem. We enhance the optimization framework of LMNN by a weighting scheme which prefers data triplets which yield a larger feasible region. This increases the chances to obtain a good metric as the solution of LMNN's problem. We evaluate the performance of the resulting feasibility-based LMNN algorithm using synthetic and real datasets. The empirical results show an improved accuracy for different types of datasets in comparison to regular LMNN.
While most steps in the modern object detection methods are learnable, the region feature extraction step remains largely hand-crafted, featured by RoI pooling methods. This work proposes a general viewpoint that unifies existing region feature extraction methods and a novel method that is end-to-end learnable. The proposed method removes most heuristic choices and outperforms its RoI pooling counterparts. It moves further towards fully learnable object detection.
Topic models are one of the most frequently used models in machine learning due to its high interpretability and modular structure. However extending the model to include supervisory signal, incorporate pre-trained word embedding vectors and add nonlinear output function to the model is not an easy task because one has to resort to highly intricate approximate inference procedure. In this paper, we show that topic models could be viewed as performing a neighborhood aggregation algorithm where the messages are passed through a network defined over words. Under the network view of topic models, nodes corresponds to words in a document and edges correspond to either a relationship describing co-occurring words in a document or a relationship describing same word in the corpus. The network view allows us to extend the model to include supervisory signals, incorporate pre-trained word embedding vectors and add nonlinear output function to the model in a simple manner. Moreover, we describe a simple way to train the model that is well suited in a semi-supervised setting where we only have supervisory signals for some portion of the corpus and the goal is to improve prediction performance in the held-out data. Through careful experiments we show that our approach outperforms state-of-the-art supervised Latent Dirichlet Allocation implementation in both held-out document classification tasks and topic coherence.
Person re-identification (re-id) is a critical problem in video analytics applications such as security and surveillance. The public release of several datasets and code for vision algorithms has facilitated rapid progress in this area over the last few years. However, directly comparing re-id algorithms reported in the literature has become difficult since a wide variety of features, experimental protocols, and evaluation metrics are employed. In order to address this need, we present an extensive review and performance evaluation of single- and multi-shot re-id algorithms. The experimental protocol incorporates the most recent advances in both feature extraction and metric learning. To ensure a fair comparison, all of the approaches were implemented using a unified code library that includes 11 feature extraction algorithms and 22 metric learning and ranking techniques. All approaches were evaluated using a new large-scale dataset that closely mimics a real-world problem setting, in addition to 16 other publicly available datasets: VIPeR, GRID, CAVIAR, DukeMTMC4ReID, 3DPeS, PRID, V47, WARD, SAIVT-SoftBio, CUHK01, CHUK02, CUHK03, RAiD, iLIDSVID, HDA+ and Market1501. The evaluation codebase and results will be made publicly available for community use.