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Clustering is a powerful and extensively used data science tool. While clustering is generally thought of as an unsupervised learning technique, there are also supervised variations such as Spath's clusterwise regression that attempt to find clusters of data that yield low regression error on a supervised target. We believe that clusterwise regression is just a single vertex of a largely unexplored design space of supervised clustering models. In this article, we define a generalized optimization framework for predictive clustering that admits different cluster definitions (arbitrary point assignment, closest center, and bounding box) and both regression and classification objectives. We then present a joint optimization strategy that exploits mixed-integer linear programming (MILP) for global optimization in this generalized framework. To alleviate scalability concerns for large datasets, we also provide highly scalable greedy algorithms inspired by the Majorization-Minimization (MM) framework. Finally, we demonstrate the ability of our models to uncover different interpretable discrete cluster structures in data by experimenting with four real-world datasets.

What matters for contrastive learning? We argue that contrastive learning heavily relies on informative features, or "hard" (positive or negative) features. Early works include more informative features by applying complex data augmentations and large batch size or memory bank, and recent works design elaborate sampling approaches to explore informative features. The key challenge toward exploring such features is that the source multi-view data is generated by applying random data augmentations, making it infeasible to always add useful information in the augmented data. Consequently, the informativeness of features learned from such augmented data is limited. In response, we propose to directly augment the features in latent space, thereby learning discriminative representations without a large amount of input data. We perform a meta learning technique to build the augmentation generator that updates its network parameters by considering the performance of the encoder. However, insufficient input data may lead the encoder to learn collapsed features and therefore malfunction the augmentation generator. A new margin-injected regularization is further added in the objective function to avoid the encoder learning a degenerate mapping. To contrast all features in one gradient back-propagation step, we adopt the proposed optimization-driven unified contrastive loss instead of the conventional contrastive loss. Empirically, our method achieves state-of-the-art results on several benchmark datasets.

Data in Knowledge Graphs often represents part of the current state of the real world. Thus, to stay up-to-date the graph data needs to be updated frequently. To utilize information from Knowledge Graphs, many state-of-the-art machine learning approaches use embedding techniques. These techniques typically compute an embedding, i.e., vector representations of the nodes as input for the main machine learning algorithm. If a graph update occurs later on -- specifically when nodes are added or removed -- the training has to be done all over again. This is undesirable, because of the time it takes and also because downstream models which were trained with these embeddings have to be retrained if they change significantly. In this paper, we investigate embedding updates that do not require full retraining and evaluate them in combination with various embedding models on real dynamic Knowledge Graphs covering multiple use cases. We study approaches that place newly appearing nodes optimally according to local information, but notice that this does not work well. However, we find that if we continue the training of the old embedding, interleaved with epochs during which we only optimize for the added and removed parts, we obtain good results in terms of typical metrics used in link prediction. This performance is obtained much faster than with a complete retraining and hence makes it possible to maintain embeddings for dynamic Knowledge Graphs.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Video instance segmentation (VIS) is the task that requires simultaneously classifying, segmenting and tracking object instances of interest in video. Recent methods typically develop sophisticated pipelines to tackle this task. Here, we propose a new video instance segmentation framework built upon Transformers, termed VisTR, which views the VIS task as a direct end-to-end parallel sequence decoding/prediction problem. Given a video clip consisting of multiple image frames as input, VisTR outputs the sequence of masks for each instance in the video in order directly. At the core is a new, effective instance sequence matching and segmentation strategy, which supervises and segments instances at the sequence level as a whole. VisTR frames the instance segmentation and tracking in the same perspective of similarity learning, thus considerably simplifying the overall pipeline and is significantly different from existing approaches. Without bells and whistles, VisTR achieves the highest speed among all existing VIS models, and achieves the best result among methods using single model on the YouTube-VIS dataset. For the first time, we demonstrate a much simpler and faster video instance segmentation framework built upon Transformers, achieving competitive accuracy. We hope that VisTR can motivate future research for more video understanding tasks.

Minimizing cross-entropy over the softmax scores of a linear map composed with a high-capacity encoder is arguably the most popular choice for training neural networks on supervised learning tasks. However, recent works show that one can directly optimize the encoder instead, to obtain equally (or even more) discriminative representations via a supervised variant of a contrastive objective. In this work, we address the question whether there are fundamental differences in the sought-for representation geometry in the output space of the encoder at minimal loss. Specifically, we prove, under mild assumptions, that both losses attain their minimum once the representations of each class collapse to the vertices of a regular simplex, inscribed in a hypersphere. We provide empirical evidence that this configuration is attained in practice and that reaching a close-to-optimal state typically indicates good generalization performance. Yet, the two losses show remarkably different optimization behavior. The number of iterations required to perfectly fit to data scales superlinearly with the amount of randomly flipped labels for the supervised contrastive loss. This is in contrast to the approximately linear scaling previously reported for networks trained with cross-entropy.

Modern neural network training relies heavily on data augmentation for improved generalization. After the initial success of label-preserving augmentations, there has been a recent surge of interest in label-perturbing approaches, which combine features and labels across training samples to smooth the learned decision surface. In this paper, we propose a new augmentation method that leverages the first and second moments extracted and re-injected by feature normalization. We replace the moments of the learned features of one training image by those of another, and also interpolate the target labels. As our approach is fast, operates entirely in feature space, and mixes different signals than prior methods, one can effectively combine it with existing augmentation methods. We demonstrate its efficacy across benchmark data sets in computer vision, speech, and natural language processing, where it consistently improves the generalization performance of highly competitive baseline networks.

This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank. In order to understand what enables the contrastive prediction tasks to learn useful representations, we systematically study the major components of our framework. We show that (1) composition of data augmentations plays a critical role in defining effective predictive tasks, (2) introducing a learnable nonlinear transformation between the representation and the contrastive loss substantially improves the quality of the learned representations, and (3) contrastive learning benefits from larger batch sizes and more training steps compared to supervised learning. By combining these findings, we are able to considerably outperform previous methods for self-supervised and semi-supervised learning on ImageNet. A linear classifier trained on self-supervised representations learned by SimCLR achieves 76.5% top-1 accuracy, which is a 7% relative improvement over previous state-of-the-art, matching the performance of a supervised ResNet-50. When fine-tuned on only 1% of the labels, we achieve 85.8% top-5 accuracy, outperforming AlexNet with 100X fewer labels.

Attributed graph clustering is challenging as it requires joint modelling of graph structures and node attributes. Recent progress on graph convolutional networks has proved that graph convolution is effective in combining structural and content information, and several recent methods based on it have achieved promising clustering performance on some real attributed networks. However, there is limited understanding of how graph convolution affects clustering performance and how to properly use it to optimize performance for different graphs. Existing methods essentially use graph convolution of a fixed and low order that only takes into account neighbours within a few hops of each node, which underutilizes node relations and ignores the diversity of graphs. In this paper, we propose an adaptive graph convolution method for attributed graph clustering that exploits high-order graph convolution to capture global cluster structure and adaptively selects the appropriate order for different graphs. We establish the validity of our method by theoretical analysis and extensive experiments on benchmark datasets. Empirical results show that our method compares favourably with state-of-the-art methods.

Convolutional networks (ConvNets) have achieved great successes in various challenging vision tasks. However, the performance of ConvNets would degrade when encountering the domain shift. The domain adaptation is more significant while challenging in the field of biomedical image analysis, where cross-modality data have largely different distributions. Given that annotating the medical data is especially expensive, the supervised transfer learning approaches are not quite optimal. In this paper, we propose an unsupervised domain adaptation framework with adversarial learning for cross-modality biomedical image segmentations. Specifically, our model is based on a dilated fully convolutional network for pixel-wise prediction. Moreover, we build a plug-and-play domain adaptation module (DAM) to map the target input to features which are aligned with source domain feature space. A domain critic module (DCM) is set up for discriminating the feature space of both domains. We optimize the DAM and DCM via an adversarial loss without using any target domain label. Our proposed method is validated by adapting a ConvNet trained with MRI images to unpaired CT data for cardiac structures segmentations, and achieved very promising results.