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VICReg: Variance-Invariance-Covariance Regularization for Self-Supervised Learning
TL;DR: VICReg as discussed by the authors combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks.
Abstract: Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.
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TL;DR: In contrastive learning, the authors proposed a decoupled contrastive objective function for self-supervised learning (SSL), which considers two augmented views of the same image as positive and negative to be pushed further apart.
Abstract: Contrastive learning (CL) is one of the most successful paradigms for self-supervised learning (SSL). In a principled way, it considers two augmented "views" of the same image as positive to be pulled closer, and all other images negative to be pushed further apart. However, behind the impressive success of CL-based techniques, their formulation often relies on heavy-computation settings, including large sample batches, extensive training epochs, etc. We are thus motivated to tackle these issues and aim at establishing a simple, efficient, and yet competitive baseline of contrastive learning. Specifically, we identify, from theoretical and empirical studies, a noticeable negative-positive-coupling (NPC) effect in the widely used cross-entropy (InfoNCE) loss, leading to unsuitable learning efficiency with respect to the batch size. Indeed the phenomenon tends to be neglected in that optimizing infoNCE loss with a small-size batch is effective in solving easier SSL tasks. By properly addressing the NPC effect, we reach a decoupled contrastive learning (DCL) objective function, significantly improving SSL efficiency. DCL can achieve competitive performance, requiring neither large batches in SimCLR, momentum encoding in MoCo, or large epochs. We demonstrate the usefulness of DCL in various benchmarks, while manifesting its robustness being much less sensitive to suboptimal hyperparameters. Notably, our approach achieves $66.9\%$ ImageNet top-1 accuracy using batch size 256 within 200 epochs pre-training, outperforming its baseline SimCLR by $5.1\%$. With further optimized hyperparameters, DCL can improve the accuracy to $68.2\%$. We believe DCL provides a valuable baseline for future contrastive learning-based SSL studies.
4 citations
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TL;DR: In this article, the authors proposed pre-training a model to reason about the geometry of molecules given only their 2D molecular graphs by maximizing the mutual information between 3D summary vectors and the representations of a Graph Neural Network (GNN) such that they contain latent 3D information.
Abstract: Molecular property prediction is one of the fastest-growing applications of deep learning with critical real-world impacts. Including 3D molecular structure as input to learned models their performance for many molecular tasks. However, this information is infeasible to compute at the scale required by several real-world applications. We propose pre-training a model to reason about the geometry of molecules given only their 2D molecular graphs. Using methods from self-supervised learning, we maximize the mutual information between 3D summary vectors and the representations of a Graph Neural Network (GNN) such that they contain latent 3D information. During fine-tuning on molecules with unknown geometry, the GNN still generates implicit 3D information and can use it to improve downstream tasks. We show that 3D pre-training provides significant improvements for a wide range of properties, such as a 22% average MAE reduction on eight quantum mechanical properties. Moreover, the learned representations can be effectively transferred between datasets in different molecular spaces.
2 citations
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TL;DR: This paper proposed implicit feature modification (IFM), a method for altering positive and negative samples in order to guide contrastive models towards capturing a wider variety of predictive features, and as a result improved performance on vision and medical imaging tasks.
Abstract: The generalization of representations learned via contrastive learning depends crucially on what features of the data are extracted. However, we observe that the contrastive loss does not always sufficiently guide which features are extracted, a behavior that can negatively impact the performance on downstream tasks via "shortcuts", i.e., by inadvertently suppressing important predictive features. We find that feature extraction is influenced by the difficulty of the so-called instance discrimination task (i.e., the task of discriminating pairs of similar points from pairs of dissimilar ones). Although harder pairs improve the representation of some features, the improvement comes at the cost of suppressing previously well represented features. In response, we propose implicit feature modification (IFM), a method for altering positive and negative samples in order to guide contrastive models towards capturing a wider variety of predictive features. Empirically, we observe that IFM reduces feature suppression, and as a result improves performance on vision and medical imaging tasks. The code is available at: \url{this https URL}.
2 citations
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TL;DR: In this paper, the authors identify several critical design considerations within a general GCL paradigm, including augmentation functions, contrasting modes, contrastive objectives, and negative mining techniques, and conduct extensive, controlled experiments over a set of benchmark tasks on datasets across various domains.
Abstract: Graph Contrastive Learning (GCL) establishes a new paradigm for learning graph representations without human annotations. Although remarkable progress has been witnessed recently, the success behind GCL is still left somewhat mysterious. In this work, we first identify several critical design considerations within a general GCL paradigm, including augmentation functions, contrasting modes, contrastive objectives, and negative mining techniques. Then, to understand the interplay of different GCL components, we conduct extensive, controlled experiments over a set of benchmark tasks on datasets across various domains. Our empirical studies suggest a set of general receipts for effective GCL, e.g., simple topology augmentations that produce sparse graph views bring promising performance improvements; contrasting modes should be aligned with the granularities of end tasks. In addition, to foster future research and ease the implementation of GCL algorithms, we develop an easy-to-use library PyGCL, featuring modularized CL components, standardized evaluation, and experiment management. We envision this work to provide useful empirical evidence of effective GCL algorithms and offer several insights for future research.
2 citations
Posted Content•
TL;DR: In this article, the authors introduce augmentation-augmented variational autoencoders (AAVAE), a third approach to self-supervised learning based on autoencoding, which replaces the KL divergence regularization with data augmentations that explicitly encourage the internal representations to encode domain-specific invariances and equivariances.
Abstract: Recent methods for self-supervised learning can be grouped into two paradigms: contrastive and non-contrastive approaches. Their success can largely be attributed to data augmentation pipelines which generate multiple views of a single input that preserve the underlying semantics. In this work, we introduce augmentation-augmented variational autoencoders (AAVAE), a third approach to self-supervised learning based on autoencoding. We derive AAVAE starting from the conventional variational autoencoder (VAE), by replacing the KL divergence regularization, which is agnostic to the input domain, with data augmentations that explicitly encourage the internal representations to encode domain-specific invariances and equivariances. We empirically evaluate the proposed AAVAE on image classification, similar to how recent contrastive and non-contrastive learning algorithms have been evaluated. Our experiments confirm the effectiveness of data augmentation as a replacement for KL divergence regularization. The AAVAE outperforms the VAE by 30% on CIFAR-10 and 40% on STL-10. The results for AAVAE are largely comparable to the state-of-the-art for self-supervised learning.
1 citations
References
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27 Jun 2016
TL;DR: In this article, the authors proposed a residual learning framework to ease the training of networks that are substantially deeper than those used previously, which won the 1st place on the ILSVRC 2015 classification task.
Abstract: Deeper neural networks are more difficult to train. We present a residual learning framework to ease the training of networks that are substantially deeper than those used previously. We explicitly reformulate the layers as learning residual functions with reference to the layer inputs, instead of learning unreferenced functions. We provide comprehensive empirical evidence showing that these residual networks are easier to optimize, and can gain accuracy from considerably increased depth. On the ImageNet dataset we evaluate residual nets with a depth of up to 152 layers—8× deeper than VGG nets [40] but still having lower complexity. An ensemble of these residual nets achieves 3.57% error on the ImageNet test set. This result won the 1st place on the ILSVRC 2015 classification task. We also present analysis on CIFAR-10 with 100 and 1000 layers. The depth of representations is of central importance for many visual recognition tasks. Solely due to our extremely deep representations, we obtain a 28% relative improvement on the COCO object detection dataset. Deep residual nets are foundations of our submissions to ILSVRC & COCO 2015 competitions1, where we also won the 1st places on the tasks of ImageNet detection, ImageNet localization, COCO detection, and COCO segmentation.
123,388 citations
20 Jun 2009
TL;DR: A new database called “ImageNet” is introduced, a large-scale ontology of images built upon the backbone of the WordNet structure, much larger in scale and diversity and much more accurate than the current image datasets.
Abstract: The explosion of image data on the Internet has the potential to foster more sophisticated and robust models and algorithms to index, retrieve, organize and interact with images and multimedia data. But exactly how such data can be harnessed and organized remains a critical problem. We introduce here a new database called “ImageNet”, a large-scale ontology of images built upon the backbone of the WordNet structure. ImageNet aims to populate the majority of the 80,000 synsets of WordNet with an average of 500-1000 clean and full resolution images. This will result in tens of millions of annotated images organized by the semantic hierarchy of WordNet. This paper offers a detailed analysis of ImageNet in its current state: 12 subtrees with 5247 synsets and 3.2 million images in total. We show that ImageNet is much larger in scale and diversity and much more accurate than the current image datasets. Constructing such a large-scale database is a challenging task. We describe the data collection scheme with Amazon Mechanical Turk. Lastly, we illustrate the usefulness of ImageNet through three simple applications in object recognition, image classification and automatic object clustering. We hope that the scale, accuracy, diversity and hierarchical structure of ImageNet can offer unparalleled opportunities to researchers in the computer vision community and beyond.
49,639 citations
Proceedings Article•
06 Jul 2015TL;DR: Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin.
Abstract: Training Deep Neural Networks is complicated by the fact that the distribution of each layer's inputs changes during training, as the parameters of the previous layers change. This slows down the training by requiring lower learning rates and careful parameter initialization, and makes it notoriously hard to train models with saturating nonlinearities. We refer to this phenomenon as internal covariate shift, and address the problem by normalizing layer inputs. Our method draws its strength from making normalization a part of the model architecture and performing the normalization for each training mini-batch. Batch Normalization allows us to use much higher learning rates and be less careful about initialization, and in some cases eliminates the need for Dropout. Applied to a state-of-the-art image classification model, Batch Normalization achieves the same accuracy with 14 times fewer training steps, and beats the original model by a significant margin. Using an ensemble of batch-normalized networks, we improve upon the best published result on ImageNet classification: reaching 4.82% top-5 test error, exceeding the accuracy of human raters.
30,843 citations
06 Sep 2014
TL;DR: A new dataset with the goal of advancing the state-of-the-art in object recognition by placing the question of object recognition in the context of the broader question of scene understanding by gathering images of complex everyday scenes containing common objects in their natural context.
Abstract: We present a new dataset with the goal of advancing the state-of-the-art in object recognition by placing the question of object recognition in the context of the broader question of scene understanding. This is achieved by gathering images of complex everyday scenes containing common objects in their natural context. Objects are labeled using per-instance segmentations to aid in precise object localization. Our dataset contains photos of 91 objects types that would be easily recognizable by a 4 year old. With a total of 2.5 million labeled instances in 328k images, the creation of our dataset drew upon extensive crowd worker involvement via novel user interfaces for category detection, instance spotting and instance segmentation. We present a detailed statistical analysis of the dataset in comparison to PASCAL, ImageNet, and SUN. Finally, we provide baseline performance analysis for bounding box and segmentation detection results using a Deformable Parts Model.
30,462 citations
TL;DR: The state-of-the-art in evaluated methods for both classification and detection are reviewed, whether the methods are statistically different, what they are learning from the images, and what the methods find easy or confuse.
Abstract: The Pascal Visual Object Classes (VOC) challenge is a benchmark in visual object category recognition and detection, providing the vision and machine learning communities with a standard dataset of images and annotation, and standard evaluation procedures. Organised annually from 2005 to present, the challenge and its associated dataset has become accepted as the benchmark for object detection.
This paper describes the dataset and evaluation procedure. We review the state-of-the-art in evaluated methods for both classification and detection, analyse whether the methods are statistically different, what they are learning from the images (e.g. the object or its context), and what the methods find easy or confuse. The paper concludes with lessons learnt in the three year history of the challenge, and proposes directions for future improvement and extension.
15,935 citations