Unifying Self-Supervised Clustering and Energy-Based Models
KU Leuven（卢森堡大学）
Emanuele Sansone, Robin Manhaeve
备注：
Changes from previous version: change introductions and added acknowledgments. Integral version of workshop paper arXiv:2309.15420. Improved GEDI version (from two stages to single stage training) arxiv:2212.13425 - ACCEPTED TO TMLR 2025
Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.
Unifying supervised learning and VAEs -- coverage, systematics and goodness-of-fit in normalizing-flow based neural network models for astro-particle reconstructions
Machine learning methods applied to complex biomedical data has enabled the construction of disease signatures of diagnostic/prognostic value. However, less attention has been given to understanding disease heterogeneity. Semi-supervised clustering methods can address this problem by estimating multiple transformations from a (e.g. healthy) control (CN) group to a patient (PT) group, seeking to capture the heterogeneity of underlying pathlogic processes. Herein, we propose a novel method, Smile-GANs (SeMi-supervIsed cLustEring via GANs), for semi-supervised clustering, and apply it to brain MR…
While Iterative Back-Translation and Dual Learning effectively incorporate monolingual training data in neural machine translation, they use different objectives and heuristic gradient approximation strategies, and have not been extensively compared. We introduce a novel dual reconstruction objective that provides a unified view of Iterative Back-Translation and Dual Learning. It motivates a theoretical analysis and controlled empirical study on German-English and Turkish-English tasks, which both suggest that Iterative Back-Translation is more effective than Dual Learning despite its relative…
Unifying Synergies between Self-supervised Learning and Dynamic Computation
Insight Centre for Data Analytics（洞察数据分析中心）；Dublin City University（都柏林城市大学）；School of Computing（计算机学院）；School of Electronic Engineering（电子工程学院）；Xperi Corporation（克佩里公司）
Distributional Reduction: Unifying Dimensionality Reduction and Clustering with Gromov-Wasserstein
ENS de Lyon, CNRS, UMPA UMR 5669（里昂大学、国家科学研究中心、UMPA UMR 5669）；EPFL, LTS4（苏黎世联邦理工学院、LTS4）；Université Bretagne Sud, IRISA UMR 6074（布列塔尼南部大学、IRISA UMR 6074）；École polytechnique, Institut Polytechnique de Paris, CMAP UMR 7641（巴黎高等学院、巴黎理工学院、CMAP UMR 7641）；Inria, ENS de Lyon, CNRS, Université Claude Bernard Lyon 1, LIP UMR 5668（法国国家科学研究中心、里昂大学、 Claude Bernard Lyon 1 大学、LIP UMR 5668）
National University of Singapore（新加坡国立大学）；A*STAR（新加坡科技研究局）；A*STAR Genome Institute of Singapore（新加坡科技研究局基因组研究所）；Bioinformatics Institute（生物信息学研究所）；Image Pervasive Access Lab (IPAL) CNRS UMI 2955（图像普适访问实验室（IPAL）法国国家科学研究中心联合研究单位2955）；Singapore Eye Research Institute（新加坡眼科研究所）
A weakly supervised learning based clustering framework is proposed in this paper. As the core of this framework, we introduce a novel multiple instance learning task based on a bag level label called unique class count ($ucc$), which is the number of unique classes among all instances inside the bag. In this task, no annotations on individual instances inside the bag are needed during training of the models. We mathematically prove that with a perfect $ucc$ classifier, perfect clustering of individual instances inside the bags is possible even when no annotations on individual instances are g…
Non-stationary bandits and online clustering of bandits lift the restrictive assumptions in contextual bandits and provide solutions to many important real-world scenarios. Though the essence in solving these two problems overlaps considerably, they have been studied independently. In this paper, we connect these two strands of bandit research under the notion of test of homogeneity, which seamlessly addresses change detection for non-stationary bandit and cluster identification for online clustering of bandit in a unified solution framework. Rigorous regret analysis and extensive empirical ev…
The Hong Kong University of Science and Technology（香港科技大学）
A deep clustering model conceptually consists of a feature extractor that maps data points to a latent space, and a clustering head that groups data points into clusters in the latent space. Although the two components used to be trained jointly in an end-to-end fashion, recent works have proved it beneficial to train them separately in two stages. In the first stage, the feature extractor is trained via self-supervised learning, which enables the preservation of the cluster structures among the data points. To preserve the cluster structures even better, we propose to replace the first stage …
Artificial Naturalist Society（人工博物学家学会）；Our childhood bedrooms（我们的童年卧室）；The Amazon (no, the other one)（亚马逊（不，是另一个））
In the quiet backwaters of cs.CV, cs.LG and stat.ML, a cornucopia of new learning systems is emerging from a primordial soup of mathematics-learning systems with no need for external supervision. To date, little thought has been given to how these self-supervised learners have sprung into being or the principles that govern their continuing diversification. After a period of deliberate study and dispassionate judgement during which each author set their Zoom virtual background to a separate Galapagos island, we now entertain no doubt that each of these learning machines are lineal descendants …
Technion – Israel Institute of Technology（以色列理工学院）
Unsupervised learning has always been appealing to machine learning researchers and practitioners, allowing them to avoid an expensive and complicated process of labeling the data. However, unsupervised learning of complex data is challenging, and even the best approaches show much weaker performance than their supervised counterparts. Self-supervised deep learning has become a strong instrument for representation learning in computer vision. However, those methods have not been evaluated in a fully unsupervised setting. In this paper, we propose a simple scheme for unsupervised classification…
Class-imbalanced datasets are known to cause the problem of model being biased towards the majority classes. In this project, we set up two research questions: 1) when is the class-imbalance problem more prevalent in self-supervised pre-training? and 2) can offline clustering of feature representations help pre-training on class-imbalanced data? Our experiments investigate the former question by adjusting the degree of {\it class-imbalance} when training the baseline models, namely SimCLR and SimSiam on CIFAR-10 database. To answer the latter question, we train each expert model on each subset…
Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）；University of Toronto（多伦多大学）
Analyzing the story behind TV series and movies often requires understanding who the characters are and what they are doing. With improving deep face models, this may seem like a solved problem. However, as face detectors get better, clustering/identification needs to be revisited to address increasing diversity in facial appearance. In this paper, we address video face clustering using unsupervised methods. Our emphasis is on distilling the essential information, identity, from the representations obtained using deep pre-trained face networks. We propose a self-supervised Siamese network that…
Deep Multi-View Semi-Supervised Clustering with Sample Pairwise Constraints
College of Information Science and Technology, Hainan University（海南大学信息科学技术学院）；Institute of Automation, Chinese Academy of Sciences（中国科学院自动化研究所）；Hainan University（海南大学）
Bangladesh University of Business & Technology（孟加拉国商业与技术大学）；King Abdulaziz University（阿卜杜勒阿齐兹国王大学）
Clustering is widely used in unsupervised learning method that deals with unlabeled data. Deep clustering has become a popular study area that relates clustering with Deep Neural Network (DNN) architecture. Deep clustering method downsamples high dimensional data, which may also relate clustering loss. Deep clustering is also introduced in semi-supervised learning (SSL). Most SSL methods depend on pairwise constraint information, which is a matrix containing knowledge if data pairs can be in the same cluster or not. This paper introduces a novel embedding system named AutoEmbedder, that downsa…
Southeast University（东南大学）；Caritas Institute of Higher Education（明爱专上学院）；City University of Hong Kong（香港城市大学）
In this letter, we propose a novel semi-supervised subspace clustering method, which is able to simultaneously augment the initial supervisory information and construct a discriminative affinity matrix. By representing the limited amount of supervisory information as a pairwise constraint matrix, we observe that the ideal affinity matrix for clustering shares the same low-rank structure as the ideal pairwise constraint matrix. Thus, we stack the two matrices into a 3-D tensor, where a global low-rank constraint is imposed to promote the affinity matrix construction and augment the initial pair…
This work tackles the problem of semi-supervised learning of image classifiers. Our main insight is that the field of semi-supervised learning can benefit from the quickly advancing field of self-supervised visual representation learning. Unifying these two approaches, we propose the framework of self-supervised semi-supervised learning and use it to derive two novel semi-supervised image classification methods. We demonstrate the effectiveness of these methods in comparison to both carefully tuned baselines, and existing semi-supervised learning methods. We then show that our approach and exi…
University of Oxford（牛津大学）；Universidade Federal Rural de Pernambuco（伯南布哥联邦农村大学）；Otto-von-Guericke-Universität Magdeburg（马格德堡奥托·冯·格里克大学）；Australian Institute for Machine Learning（澳大利亚机器学习研究所）；University of Surrey（萨里大学）
We propose a new training algorithm, ScanMix, that explores semantic clustering and semi-supervised learning (SSL) to allow superior robustness to severe label noise and competitive robustness to non-severe label noise problems, in comparison to the state of the art (SOTA) methods. ScanMix is based on the expectation maximisation framework, where the E-step estimates the latent variable to cluster the training images based on their appearance and classification results, and the M-step optimises the SSL classification and learns effective feature representations via semantic clustering. We pres…
China University of Geosciences（中国地质大学）；Xi’an Research Institute of High Technology（西安高新技术研究院）；Helmholtz-Zentrum Dresden-Rossendorf（德累斯顿罗森多夫亥姆霍兹中心）；Helmholtz Institute Freiberg for Resource Technology（弗赖贝格资源技术亥姆霍兹研究所）；Institute of Advanced Research in Artificial Intelligence（人工智能高级研究院）
This paper presents FLGC, a simple yet effective fully linear graph convolutional network for semi-supervised and unsupervised learning. Instead of using gradient descent, we train FLGC based on computing a global optimal closed-form solution with a decoupled procedure, resulting in a generalized linear framework and making it easier to implement, train, and apply. We show that (1) FLGC is powerful to deal with both graph-structured data and regular data, (2) training graph convolutional models with closed-form solutions improve computational efficiency without degrading performance, and (3) F…
Large scale agglomerative clustering is hindered by computational burdens. We propose a novel scheme where exact inter-instance distance calculation is replaced by the Hamming distance between Kernelized Locality-Sensitive Hashing (KLSH) hashed values. This results in a method that drastically decreases computation time. Additionally, we take advantage of certain labeled data points via distance metric learning to achieve a competitive precision and recall comparing to K-Means but in much less computation time.
Neural Network based controllers hold enormous potential to learn complex, high-dimensional functions. However, they are prone to overfitting and unwarranted extrapolations. PAC Bayes is a generalized framework which is more resistant to overfitting and that yields performance bounds that hold with arbitrarily high probability even on the unjustified extrapolations. However, optimizing to learn such a function and a bound is intractable for complex tasks. In this work, we propose a method to simultaneously learn such a function and estimate performance bounds that scale organically to high-dim…
Xidian University（西安电子科技大学）；Tencent AI Healthcare（腾讯AI医疗）；Rensselaer Polytechnic Institute（伦斯勒理工学院）
We propose a self-supervised Gaussian ATtention network for image Clustering (GATCluster). Rather than extracting intermediate features first and then performing the traditional clustering algorithm, GATCluster directly outputs semantic cluster labels without further post-processing. Theoretically, we give a Label Feature Theorem to guarantee the learned features are one-hot encoded vectors, and the trivial solutions are avoided. To train the GATCluster in a completely unsupervised manner, we design four self-learning tasks with the constraints of transformation invariance, separability maximi…
Semi-supervised clustering is an very important topic in machine learning and computer vision. The key challenge of this problem is how to learn a metric, such that the instances sharing the same label are more likely close to each other on the embedded space. However, little attention has been paid to learn better representations when the data lie on non-linear manifold. Fortunately, deep learning has led to great success on feature learning recently. Inspired by the advances of deep learning, we propose a deep transductive semi-supervised maximum margin clustering approach. More specifically…
Clustering using neural networks has recently demonstrated promising performance in machine learning and computer vision applications. However, the performance of current approaches is limited either by unsupervised learning or their dependence on large set of labeled data samples. In this paper, we propose ClusterNet that uses pairwise semantic constraints from very few labeled data samples (<5% of total data) and exploits the abundant unlabeled data to drive the clustering approach. We define a new loss function that uses pairwise semantic similarity between objects combined with constrained…
PPI-SVRG: Unifying Prediction-Powered Inference and Variance Reduction for Semi-Supervised Optimization
Institute for Data, Systems, and Society（数据、系统与社会研究所）；Massachusetts Institute of Technology（麻省理工学院）；Department of Mathematics（数学系）；Washington University in Saint Louis（圣路易斯华盛顿大学）；Daniels School of Business（丹尼尔斯商学院）
Supervised classification approaches can predict labels for unknown data because of the supervised training process. The success of classification is heavily dependent on the labeled training data. Differently, clustering is effective in revealing the aggregation property of unlabeled data, but the performance of most clustering methods is limited by the absence of labeled data. In real applications, however, it is time-consuming and sometimes impossible to obtain labeled data. The combination of clustering and classification is a promising and active approach which can largely improve the per…
Semi-supervised clustering aims to introduce prior knowledge in the decision process of a clustering algorithm. In this paper, we propose a novel semi-supervised clustering algorithm based on the information-maximization principle. The proposed method is an extension of a previous unsupervised information-maximization clustering algorithm based on squared-loss mutual information to effectively incorporate must-links and cannot-links. The proposed method is computationally efficient because the clustering solution can be obtained analytically via eigendecomposition. Furthermore, the proposed me…
Determining phenotypes of diseases can have considerable benefits for in-hospital patient care and to drug development. The structure of high dimensional data sets such as electronic health records are often represented through an embedding of the data, with clustering methods used to group data of similar structure. If subgroups are known to exist within data, supervised methods may be used to influence the clusters discovered. We propose to extend deep embedded clustering to a semi-supervised deep embedded clustering algorithm to stratify subgroups through known labels in the data. In this w…
Insufficient capability of existing subspace clustering methods to handle data coming from nonlinear manifolds, data corruptions, and out-of-sample data hinders their applicability to address real-world clustering and classification problems. This paper proposes the robust formulation of the self-supervised convolutional subspace clustering network ($S^2$ConvSCN) that incorporates the fully connected (FC) layer and, thus, it is capable for handling out-of-sample data by classifying them using a softmax classifier. $S^2$ConvSCN clusters data coming from nonlinear manifolds by learning the linea…
Clustering is ubiquitous in data analysis, including analysis of time series. It is inherently subjective: different users may prefer different clusterings for a particular dataset. Semi-supervised clustering addresses this by allowing the user to provide examples of instances that should (not) be in the same cluster. This paper studies semi-supervised clustering in the context of time series. We show that COBRAS, a state-of-the-art semi-supervised clustering method, can be adapted to this setting. We refer to this approach as COBRAS-TS. An extensive experimental evaluation supports the follow…
We introduce a new paradigm to investigate unsupervised learning, reducing unsupervised learning to supervised learning. Specifically, we mitigate the subjectivity in unsupervised decision-making by leveraging knowledge acquired from prior, possibly heterogeneous, supervised learning tasks. We demonstrate the versatility of our framework via comprehensive expositions and detailed experiments on several unsupervised problems such as (a) clustering, (b) outlier detection, and (c) similarity prediction under a common umbrella of meta-unsupervised-learning. We also provide rigorous PAC-agnostic bo…
Jagiellonian University（雅盖隆大学）；Instituto de Telecomunicações（电信研究所）；Instituto Superior Técnico（高等技术学院）；Universidade de Lisboa（里斯本大学）
In this paper, we introduce a neural network framework for semi-supervised clustering (SSC) with pairwise (must-link or cannot-link) constraints. In contrast to existing approaches, we decompose SSC into two simpler classification tasks/stages: the first stage uses a pair of Siamese neural networks to label the unlabeled pairs of points as must-link or cannot-link; the second stage uses the fully pairwise-labeled dataset produced by the first stage in a supervised neural-network-based clustering method. The proposed approach, S3C2 (Semi-Supervised Siamese Classifiers for Clustering), is motiva…
In this paper, we focus on finding clusters in partially categorized data sets. We propose a semi-supervised version of Gaussian mixture model, called C3L, which retrieves natural subgroups of given categories. In contrast to other semi-supervised models, C3L is parametrized by user-defined leakage level, which controls maximal inconsistency between initial categorization and resulting clustering. Our method can be implemented as a module in practical expert systems to detect clusters, which combine expert knowledge with true distribution of data. Moreover, it can be used for improving the res…
Abstraction is a fundamental part when learning behavioral models of systems. Usually the process of abstraction is manually defined by domain experts. This paper presents a method to perform automatic abstraction for network protocols. In particular a weakly supervised clustering algorithm is used to build an abstraction with a small vocabulary size for the widely used TLS protocol. To show the effectiveness of the proposed method we compare the resultant abstract messages to a manually constructed (reference) abstraction. With a small amount of side-information in the form of a few labeled e…
SE-shapelets: Semi-supervised Clustering of Time Series Using Representative Shapelets
School of Information Technology, Deakin University（迪肯大学信息技术学院）；School of Computer Science and Engineering, University of New South Wales（新南威尔士大学计算机科学与工程学院）；Data61 in CSIRO（澳大利亚联邦科学与工业研究组织Data61）
FZI Research Center for Information Technology（FZI信息技术研究中心）；KIT - Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院）
Examining graphs for similarity is a well-known challenge, but one that is mandatory for grouping graphs together. We present a data-driven method to cluster traffic scenes that is self-supervised, i.e. without manual labelling. We leverage the semantic scene graph model to create a generic graph embedding of the traffic scene, which is then mapped to a low-dimensional embedding space using a Siamese network, in which clustering is performed. In the training process of our novel approach, we augment existing traffic scenes in the Cartesian space to generate positive similarity samples. This al…
Korea Advanced Institute of Science and Technology (KAIST)（韩国科学技术院）；Ulsan National Institute of Science and Technology (UNIST)（蔚山科学技术院）
Few-shot learning aims to handle previously unseen tasks using only a small amount of new training data. In preparing (or meta-training) a few-shot learner, however, massive labeled data are necessary. In the real world, unfortunately, labeled data are expensive and/or scarce. In this work, we propose a few-shot learner that can work well under the semi-supervised setting where a large portion of training data is unlabeled. Our method employs explicit task-conditioning in which unlabeled sample clustering for the current task takes place in a new projection space different from the embedding f…
Huazhong University of Science and Technology（华中科技大学）；Shandong University of Finance and Economics（山东财经大学）
Fuzzy c-means based clustering algorithms are frequently used for Takagi-Sugeno-Kang (TSK) fuzzy classifier antecedent parameter estimation. One rule is initialized from each cluster. However, most of these clustering algorithms are unsupervised, which waste valuable label information in the training data. This paper proposes a supervised enhanced soft subspace clustering (SESSC) algorithm, which considers simultaneously the within-cluster compactness, between-cluster separation, and label information in clustering. It can effectively deal with high-dimensional data, be used as a classifier al…
Graz University of Technology（格拉茨技术大学）；Know-Center GmbH（Know-Center有限公司）；Jagiellonian University（雅盖隆大学）
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 f…
University of Electronic Science and Technology of China（电子科技大学）
Nowadays, data are generated massively and rapidly from scientific fields as bioinformatics, neuroscience and astronomy to business and engineering fields. Cluster analysis, as one of the major data analysis tools, is therefore more significant than ever. We propose in this work an effective Semi-supervised Divisive Clustering algorithm (SDC). Data points are first organized by a minimal spanning tree. Next, this tree structure is transitioned to the in-tree structure, and then divided into sub-trees under the supervision of the labeled data, and in the end, all points in the sub-trees are dir…
Center of Informatics - CIn, Universidade Federal de Pernambuco（信息中心 - 伯南布哥联邦大学）
There has been an increasing interest in semi-supervised learning in the recent years because of the great number of datasets with a large number of unlabeled data but only a few labeled samples. Semi-supervised learning algorithms can work with both types of data, combining them to obtain better performance for both clustering and classification. Also, these datasets commonly have a high number of dimensions. This article presents a new semi-supervised method based on self-organizing maps (SOMs) for clustering and classification, called Semi-Supervised Self-Organizing Map (SS-SOM). The method…
College of Information and Computer Sciences, University of Massachusetts Amherst（马萨诸塞大学阿默斯特分校信息与计算机科学学院）
In supervised clustering, standard techniques for learning a pairwise dissimilarity function often suffer from a discrepancy between the training and clustering objectives, leading to poor cluster quality. Rectifying this discrepancy necessitates matching the procedure for training the dissimilarity function to the clustering algorithm. In this paper, we introduce a method for training the dissimilarity function in a way that is tightly coupled with hierarchical clustering, in particular single linkage. However, the appropriate clustering algorithm for a given dataset is often unknown. Thus we…
