Daily Papers

6D Object Pose Estimation is a crucial yet challenging task in computer vision, suffering from a significant lack of large-scale datasets. This scarcity impedes comprehensive evaluation of model performance, limiting research advancements. Furthermore, the restricted number of available instances or categories curtails its applications. To address these issues, this paper introduces Omni6DPose, a substantial dataset characterized by its diversity in object categories, large scale, and variety in object materials. Omni6DPose is divided into three main components: ROPE (Real 6D Object Pose Estimation Dataset), which includes 332K images annotated with over 1.5M annotations across 581 instances in 149 categories; SOPE(Simulated 6D Object Pose Estimation Dataset), consisting of 475K images created in a mixed reality setting with depth simulation, annotated with over 5M annotations across 4162 instances in the same 149 categories; and the manually aligned real scanned objects used in both ROPE and SOPE. Omni6DPose is inherently challenging due to the substantial variations and ambiguities. To address this challenge, we introduce GenPose++, an enhanced version of the SOTA category-level pose estimation framework, incorporating two pivotal improvements: Semantic-aware feature extraction and Clustering-based aggregation. Moreover, we provide a comprehensive benchmarking analysis to evaluate the performance of previous methods on this large-scale dataset in the realms of 6D object pose estimation and pose tracking.

Clustering is an unsupervised learning problem that aims to partition unlabelled data points into groups with similar features. Traditional clustering algorithms provide limited insight into the groups they find as their main focus is accuracy and not the interpretability of the group assignments. This has spurred a recent line of work on explainable machine learning for clustering. In this paper we focus on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing polyhedra around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs simply sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

We introduce fast algorithms for correlation clustering with respect to the Min Max objective that provide constant factor approximations on complete graphs. Our algorithms are the first purely combinatorial approximation algorithms for this problem. We construct a novel semi-metric on the set of vertices, which we call the correlation metric, that indicates to our clustering algorithms whether pairs of nodes should be in the same cluster. The paper demonstrates empirically that, compared to prior work, our algorithms sacrifice little in the objective quality to obtain significantly better run-time. Moreover, our algorithms scale to larger networks that are effectively intractable for known algorithms.

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.

Pairwise clustering, in general, partitions a set of items via a known similarity function. In our treatment, clustering is modeled as a transductive prediction problem. Thus rather than beginning with a known similarity function, the function instead is hidden and the learner only receives a random sample consisting of a subset of the pairwise similarities. An additional set of pairwise side-information may be given to the learner, which then determines the inductive bias of our algorithms. We measure performance not based on the recovery of the hidden similarity function, but instead on how well we classify each item. We give tight bounds on the number of misclassifications. We provide two algorithms. The first algorithm SACA is a simple agglomerative clustering algorithm which runs in near linear time, and which serves as a baseline for our analyses. Whereas the second algorithm, RGCA, enables the incorporation of side-information which may lead to improved bounds at the cost of a longer running time.

Clustering is a fundamental building block of modern statistical analysis pipelines. Fair clustering has seen much attention from the machine learning community in recent years. We are some of the first to study fairness in the context of hierarchical clustering, after the results of Ahmadian et al. from NeurIPS in 2020. We evaluate our results using Dasgupta's cost function, perhaps one of the most prevalent theoretical metrics for hierarchical clustering evaluation. Our work vastly improves the previous O(n^{5/6}polylog(n)) fair approximation for cost to a near polylogarithmic O(n^delta polylog(n)) fair approximation for any constant deltain(0,1). This result establishes a cost-fairness tradeoff and extends to broader fairness constraints than the previous work. We also show how to alter existing hierarchical clusterings to guarantee fairness and cluster balance across any level in the hierarchy.

Spherical k-Means is frequently used to cluster document collections because it performs reasonably well in many settings and is computationally efficient. However, the time complexity increases linearly with the number of clusters k, which limits the suitability of the algorithm for larger values of k depending on the size of the collection. Optimizations targeted at the Euclidean k-Means algorithm largely do not apply because the cosine distance is not a metric. We therefore propose an efficient indexing structure to improve the scalability of Spherical k-Means with respect to k. Our approach exploits the sparsity of the input vectors and the convergence behavior of k-Means to reduce the number of comparisons on each iteration significantly.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

Local graph clustering methods aim to detect small clusters in very large graphs without the need to process the whole graph. They are fundamental and scalable tools for a wide range of tasks such as local community detection, node ranking and node embedding. While prior work on local graph clustering mainly focuses on graphs without node attributes, modern real-world graph datasets typically come with node attributes that provide valuable additional information. We present a simple local graph clustering algorithm for graphs with node attributes, based on the idea of diffusing mass locally in the graph while accounting for both structural and attribute proximities. Using high-dimensional concentration results, we provide statistical guarantees on the performance of the algorithm for the recovery of a target cluster with a single seed node. We give conditions under which a target cluster generated from a fairly general contextual random graph model, which includes both the stochastic block model and the planted cluster model as special cases, can be fully recovered with bounded false positives. Empirically, we validate all theoretical claims using synthetic data, and we show that incorporating node attributes leads to superior local clustering performances using real-world graph datasets.

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

We study the approximability of an existing framework for clustering edge-colored hypergraphs, which is closely related to chromatic correlation clustering and is motivated by machine learning and data mining applications where the goal is to cluster a set of objects based on multiway interactions of different categories or types. We present improved approximation guarantees based on linear programming, and show they are tight by proving a matching integrality gap. Our results also include new approximation hardness results, a combinatorial 2-approximation whose runtime is linear in the hypergraph size, and several new connections to well-studied objectives such as vertex cover and hypergraph multiway cut.

Graph measures that express closeness or distance between nodes can be employed for graph nodes clustering using metric clustering algorithms. There are numerous measures applicable to this task, and which one performs better is an open question. We study the performance of 25 graph measures on generated graphs with different parameters. While usually measure comparisons are limited to general measure ranking on a particular dataset, we aim to explore the performance of various measures depending on graph features. Using an LFR graph generator, we create a dataset of 11780 graphs covering the whole LFR parameter space. For each graph, we assess the quality of clustering with k-means algorithm for each considered measure. Based on this, we determine the best measure for each area of the parameter space. We find that the parameter space consists of distinct zones where one particular measure is the best. We analyze the geometry of the resulting zones and describe it with simple criteria. Given particular graph parameters, this allows us to recommend a particular measure to use for clustering.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

This paper studies the fair range clustering problem in which the data points are from different demographic groups and the goal is to pick k centers with the minimum clustering cost such that each group is at least minimally represented in the centers set and no group dominates the centers set. More precisely, given a set of n points in a metric space (P,d) where each point belongs to one of the ell different demographics (i.e., P = P_1 uplus P_2 uplus cdots uplus P_ell) and a set of ell intervals [alpha_1, beta_1], cdots, [alpha_ell, beta_ell] on desired number of centers from each group, the goal is to pick a set of k centers C with minimum ell_p-clustering cost (i.e., (sum_{vin P} d(v,C)^p)^{1/p}) such that for each group iin ell, |Ccap P_i| in [alpha_i, beta_i]. In particular, the fair range ell_p-clustering captures fair range k-center, k-median and k-means as its special cases. In this work, we provide efficient constant factor approximation algorithms for fair range ell_p-clustering for all values of pin [1,infty).

Object-centric architectures usually apply a differentiable module to the entire feature map to decompose it into sets of entity representations called slots. Some of these methods structurally resemble clustering algorithms, where the cluster's center in latent space serves as a slot representation. Slot Attention is an example of such a method, acting as a learnable analog of the soft k-means algorithm. Our work employs a learnable clustering method based on the Gaussian Mixture Model. Unlike other approaches, we represent slots not only as centers of clusters but also incorporate information about the distance between clusters and assigned vectors, leading to more expressive slot representations. Our experiments demonstrate that using this approach instead of Slot Attention improves performance in object-centric scenarios, achieving state-of-the-art results in the set property prediction task.

Clustering is a widely used unsupervised learning technique involving an intensive discrete optimization problem. Associative Memory models or AMs are differentiable neural networks defining a recursive dynamical system, which have been integrated with various deep learning architectures. We uncover a novel connection between the AM dynamics and the inherent discrete assignment necessary in clustering to propose a novel unconstrained continuous relaxation of the discrete clustering problem, enabling end-to-end differentiable clustering with AM, dubbed ClAM. Leveraging the pattern completion ability of AMs, we further develop a novel self-supervised clustering loss. Our evaluations on varied datasets demonstrate that ClAM benefits from the self-supervision, and significantly improves upon both the traditional Lloyd's k-means algorithm, and more recent continuous clustering relaxations (by upto 60% in terms of the Silhouette Coefficient).

Classical clustering methods do not provide users with direct control of the clustering results, and the clustering results may not be consistent with the relevant criterion that a user has in mind. In this work, we present a new methodology for performing image clustering based on user-specified text criteria by leveraging modern vision-language models and large language models. We call our method Image Clustering Conditioned on Text Criteria (IC|TC), and it represents a different paradigm of image clustering. IC|TC requires a minimal and practical degree of human intervention and grants the user significant control over the clustering results in return. Our experiments show that IC|TC can effectively cluster images with various criteria, such as human action, physical location, or the person's mood, while significantly outperforming baselines.

Selecting an appropriate clustering method as well as an optimal number of clusters in road accident data is at times confusing and difficult. This paper analyzes shortcomings of different existing techniques applied to cluster accident-prone areas and recommends using Density-Based Spatial Clustering of Applications with Noise (DBSCAN) and Ordering Points To Identify the Clustering Structure (OPTICS) to overcome them. Comparative performance analysis based on real-life data on the recorded cases of road accidents in North Carolina also show more effectiveness and efficiency achieved by these algorithms.

We propose a graph clustering formulation based on multicut (a.k.a. weighted correlation clustering) on the complete graph. Our formulation does not need specification of the graph topology as in the original sparse formulation of multicut, making our approach simpler and potentially better performing. In contrast to unweighted correlation clustering we allow for a more expressive weighted cost structure. In dense multicut, the clustering objective is given in a factorized form as inner products of node feature vectors. This allows for an efficient formulation and inference in contrast to multicut/weighted correlation clustering, which has at least quadratic representation and computation complexity when working on the complete graph. We show how to rewrite classical greedy algorithms for multicut in our dense setting and how to modify them for greater efficiency and solution quality. In particular, our algorithms scale to graphs with tens of thousands of nodes. Empirical evidence on instance segmentation on Cityscapes and clustering of ImageNet datasets shows the merits of our approach.

Document clustering is a text mining technique used to provide better document search and browsing in digital libraries or online corpora. A lot of research has been done on biomedical document clustering that is based on using existing ontology. But, associations and co-occurrences of the medical concepts are not well represented by using ontology. In this research, a vector representation of concepts of diseases and similarity measurement between concepts are proposed. They identify the closest concepts of diseases in the context of a corpus. Each document is represented by using the vector space model. A weight scheme is proposed to consider both local content and associations between concepts. A Self-Organizing Map is used as document clustering algorithm. The vector projection and visualization features of SOM enable visualization and analysis of the clusters distributions and relationships on the two dimensional space. The experimental results show that the proposed document clustering framework generates meaningful clusters and facilitate visualization of the clusters based on the concepts of diseases.

Visualizations for scattered data are used to make users understand certain attributes of their data by solving different tasks, e.g. correlation estimation, outlier detection, cluster separation. In this paper, we focus on the later task, and develop a technique that is aligned to human perception, that can be used to understand how human subjects perceive clusterings in scattered data and possibly optimize for better understanding. Cluster separation in scatterplots is a task that is typically tackled by widely used clustering techniques, such as for instance k-means or DBSCAN. However, as these algorithms are based on non-perceptual metrics, we can show in our experiments, that their output do not reflect human cluster perception. We propose a learning strategy which directly operates on scattered data. To learn perceptual cluster separation on this data, we crowdsourced a large scale dataset, consisting of 7,320 point-wise cluster affiliations for bivariate data, which has been labeled by 384 human crowd workers. Based on this data, we were able to train ClusterNet, a point-based deep learning model, trained to reflect human perception of cluster separability. In order to train ClusterNet on human annotated data, we use a PointNet++ architecture enabling inference on point clouds directly. In this work, we provide details on how we collected our dataset, report statistics of the resulting annotations, and investigate perceptual agreement of cluster separation for real-world data. We further report the training and evaluation protocol of ClusterNet and introduce a novel metric, that measures the accuracy between a clustering technique and a group of human annotators. Finally, we compare our approach against existing state-of-the-art clustering techniques and can show, that ClusterNet is able to generalize to unseen and out of scope data.

A feature-based model explanation denotes how much each input feature contributes to a model's output for a given data point. As the number of proposed explanation functions grows, we lack quantitative evaluation criteria to help practitioners know when to use which explanation function. This paper proposes quantitative evaluation criteria for feature-based explanations: low sensitivity, high faithfulness, and low complexity. We devise a framework for aggregating explanation functions. We develop a procedure for learning an aggregate explanation function with lower complexity and then derive a new aggregate Shapley value explanation function that minimizes sensitivity.

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Despite the growing popularity of explainable and interpretable machine learning, there is still surprisingly limited work on inherently interpretable clustering methods. Recently, there has been a surge of interest in explaining the classic k-means algorithm, leading to efficient algorithms that approximate k-means clusters using axis-aligned decision trees. However, interpretable variants of k-means have limited applicability in practice, where more flexible clustering methods are often needed to obtain useful partitions of the data. In this work, we investigate interpretable kernel clustering, and propose algorithms that construct decision trees to approximate the partitions induced by kernel k-means, a nonlinear extension of k-means. We further build on previous work on explainable k-means and demonstrate how a suitable choice of features allows preserving interpretability without sacrificing approximation guarantees on the interpretable model.

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

Clustering is a class of unsupervised learning methods that has been extensively applied and studied in computer vision. Little work has been done to adapt it to the end-to-end training of visual features on large scale datasets. In this work, we present DeepCluster, a clustering method that jointly learns the parameters of a neural network and the cluster assignments of the resulting features. DeepCluster iteratively groups the features with a standard clustering algorithm, k-means, and uses the subsequent assignments as supervision to update the weights of the network. We apply DeepCluster to the unsupervised training of convolutional neural networks on large datasets like ImageNet and YFCC100M. The resulting model outperforms the current state of the art by a significant margin on all the standard benchmarks.

Clustering is central to many data-driven application domains and has been studied extensively in terms of distance functions and grouping algorithms. Relatively little work has focused on learning representations for clustering. In this paper, we propose Deep Embedded Clustering (DEC), a method that simultaneously learns feature representations and cluster assignments using deep neural networks. DEC learns a mapping from the data space to a lower-dimensional feature space in which it iteratively optimizes a clustering objective. Our experimental evaluations on image and text corpora show significant improvement over state-of-the-art methods.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

We present a detailed theoretical and computational analysis of the Watset meta-algorithm for fuzzy graph clustering, which has been found to be widely applicable in a variety of domains. This algorithm creates an intermediate representation of the input graph that reflects the "ambiguity" of its nodes. Then, it uses hard clustering to discover clusters in this "disambiguated" intermediate graph. After outlining the approach and analyzing its computational complexity, we demonstrate that Watset shows competitive results in three applications: unsupervised synset induction from a synonymy graph, unsupervised semantic frame induction from dependency triples, and unsupervised semantic class induction from a distributional thesaurus. Our algorithm is generic and can be also applied to other networks of linguistic data.

Unsupervised clustering is widely used to explore large corpora, but existing formulations neither consider the users' goals nor explain clusters' meanings. We propose a new task formulation, "Goal-Driven Clustering with Explanations" (GoalEx), which represents both the goal and the explanations as free-form language descriptions. For example, to categorize the errors made by a summarization system, the input to GoalEx is a corpus of annotator-written comments for system-generated summaries and a goal description "cluster the comments based on why the annotators think the summary is imperfect.''; the outputs are text clusters each with an explanation ("this cluster mentions that the summary misses important context information."), which relates to the goal and precisely explain which comments should (not) belong to a cluster. To tackle GoalEx, we prompt a language model with "[corpus subset] + [goal] + Brainstorm a list of explanations each representing a cluster."; then we classify whether each sample belongs to a cluster based on its explanation; finally, we use integer linear programming to select a subset of candidate clusters to cover most samples while minimizing overlaps. Under both automatic and human evaluation on corpora with or without labels, our method produces more accurate and goal-related explanations than prior methods. We release our data and implementation at https://github.com/ZihanWangKi/GoalEx.

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

Clustering is a widely deployed unsupervised learning tool. Model-based clustering is a flexible framework to tackle data heterogeneity when the clusters have different shapes. Likelihood-based inference for mixture distributions often involves non-convex and high-dimensional objective functions, imposing difficult computational and statistical challenges. The classic expectation-maximization (EM) algorithm is a computationally thrifty iterative method that maximizes a surrogate function minorizing the log-likelihood of observed data in each iteration, which however suffers from bad local maxima even in the special case of the standard Gaussian mixture model with common isotropic covariance matrices. On the other hand, recent studies reveal that the unique global solution of a semidefinite programming (SDP) relaxed K-means achieves the information-theoretically sharp threshold for perfectly recovering the cluster labels under the standard Gaussian mixture model. In this paper, we extend the SDP approach to a general setting by integrating cluster labels as model parameters and propose an iterative likelihood adjusted SDP (iLA-SDP) method that directly maximizes the exact observed likelihood in the presence of data heterogeneity. By lifting the cluster assignment to group-specific membership matrices, iLA-SDP avoids centroids estimation -- a key feature that allows exact recovery under well-separateness of centroids without being trapped by their adversarial configurations. Thus iLA-SDP is less sensitive than EM to initialization and more stable on high-dimensional data. Our numeric experiments demonstrate that iLA-SDP can achieve lower mis-clustering errors over several widely used clustering methods including K-means, SDP and EM algorithms.

Recently, Qiao, Duan, and Cheng~(2019) proposed a distributed nearest-neighbor classification method, in which a massive dataset is split into smaller groups, each processed with a k-nearest-neighbor classifier, and the final class label is predicted by a majority vote among these groupwise class labels. This paper shows that the distributed algorithm with k=1 over a sufficiently large number of groups attains a minimax optimal error rate up to a multiplicative logarithmic factor under some regularity conditions, for both regression and classification problems. Roughly speaking, distributed 1-nearest-neighbor rules with M groups has a performance comparable to standard Theta(M)-nearest-neighbor rules. In the analysis, alternative rules with a refined aggregation method are proposed and shown to attain exact minimax optimal rates.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

Anti-Money Laundering (AML) is a crucial task in ensuring the integrity of financial systems. One keychallenge in AML is identifying high-risk groups based on their behavior. Unsupervised learning, particularly clustering, is a promising solution for this task. However, the use of hundreds of features todescribe behavior results in a highdimensional dataset that negatively impacts clustering performance.In this paper, we investigate the effectiveness of combining clustering method agglomerative hierarchicalclustering with four dimensionality reduction techniques -Independent Component Analysis (ICA), andKernel Principal Component Analysis (KPCA), Singular Value Decomposition (SVD), Locality Preserving Projections (LPP)- to overcome the issue of high-dimensionality in AML data and improve clusteringresults. This study aims to provide insights into the most effective way of reducing the dimensionality ofAML data and enhance the accuracy of clustering-based AML systems. The experimental results demonstrate that KPCA outperforms other dimension reduction techniques when combined with agglomerativehierarchical clustering. This superiority is observed in the majority of situations, as confirmed by threedistinct validation indices.

Clustering aims to group unlabelled samples based on their similarities. It has become a significant tool for the analysis of high-dimensional data. However, most of the clustering methods merely generate pseudo labels and thus are unable to simultaneously present the similarities between different clusters and outliers. This paper proposes a new framework called High-dimensional Clustering onto Hamiltonian Cycle (HCHC) to solve the above problems. First, HCHC combines global structure with local structure in one objective function for deep clustering, improving the labels as relative probabilities, to mine the similarities between different clusters while keeping the local structure in each cluster. Then, the anchors of different clusters are sorted on the optimal Hamiltonian cycle generated by the cluster similarities and mapped on the circumference of a circle. Finally, a sample with a higher probability of a cluster will be mapped closer to the corresponding anchor. In this way, our framework allows us to appreciate three aspects visually and simultaneously - clusters (formed by samples with high probabilities), cluster similarities (represented as circular distances), and outliers (recognized as dots far away from all clusters). The experiments illustrate the superiority of HCHC.

Google users have different intents from their queries such as acquiring information, buying products, comparing or simulating services, looking for products, and so on. Understanding the right intention of users helps to provide i) better content on web pages from the Search Engine Optimization (SEO) perspective and ii) more user-satisfying results from the search engine perspective. In this study, we aim to identify the user query's intent by taking advantage of Google results and machine learning methods. Our proposed approach is a clustering model that exploits some features to detect query's intent. A list of keywords extracted from the clustered queries is used to identify the intent of a new given query. Comparing the clustering results with the intents predicted by filtered keywords show the efficiency of the extracted keywords for detecting intents.

Document clustering and topic modeling are two closely related tasks which can mutually benefit each other. Topic modeling can project documents into a topic space which facilitates effective document clustering. Cluster labels discovered by document clustering can be incorporated into topic models to extract local topics specific to each cluster and global topics shared by all clusters. In this paper, we propose a multi-grain clustering topic model (MGCTM) which integrates document clustering and topic modeling into a unified framework and jointly performs the two tasks to achieve the overall best performance. Our model tightly couples two components: a mixture component used for discovering latent groups in document collection and a topic model component used for mining multi-grain topics including local topics specific to each cluster and global topics shared across clusters.We employ variational inference to approximate the posterior of hidden variables and learn model parameters. Experiments on two datasets demonstrate the effectiveness of our model.

An approach to improve neural network interpretability is via clusterability, i.e., splitting a model into disjoint clusters that can be studied independently. We define a measure for clusterability and show that pre-trained models form highly enmeshed clusters via spectral graph clustering. We thus train models to be more modular using a "clusterability loss" function that encourages the formation of non-interacting clusters. Using automated interpretability techniques, we show that our method can help train models that are more modular and learn different, disjoint, and smaller circuits. We investigate CNNs trained on MNIST and CIFAR, small transformers trained on modular addition, and language models. Our approach provides a promising direction for training neural networks that learn simpler functions and are easier to interpret.

Clustering has been a major research topic in the field of machine learning, one to which Deep Learning has recently been applied with significant success. However, an aspect of clustering that is not addressed by existing deep clustering methods, is that of efficiently producing multiple, diverse partitionings for a given dataset. This is particularly important, as a diverse set of base clusterings are necessary for consensus clustering, which has been found to produce better and more robust results than relying on a single clustering. To address this gap, we propose DivClust, a diversity controlling loss that can be incorporated into existing deep clustering frameworks to produce multiple clusterings with the desired degree of diversity. We conduct experiments with multiple datasets and deep clustering frameworks and show that: a) our method effectively controls diversity across frameworks and datasets with very small additional computational cost, b) the sets of clusterings learned by DivClust include solutions that significantly outperform single-clustering baselines, and c) using an off-the-shelf consensus clustering algorithm, DivClust produces consensus clustering solutions that consistently outperform single-clustering baselines, effectively improving the performance of the base deep clustering framework.

Text clustering remains valuable in real-world applications where manual labeling is cost-prohibitive. It facilitates efficient organization and analysis of information by grouping similar texts based on their representations. However, implementing this approach necessitates fine-tuned embedders for downstream data and sophisticated similarity metrics. To address this issue, this study presents a novel framework for text clustering that effectively leverages the in-context learning capacity of Large Language Models (LLMs). Instead of fine-tuning embedders, we propose to transform the text clustering into a classification task via LLM. First, we prompt LLM to generate potential labels for a given dataset. Second, after integrating similar labels generated by the LLM, we prompt the LLM to assign the most appropriate label to each sample in the dataset. Our framework has been experimentally proven to achieve comparable or superior performance to state-of-the-art clustering methods that employ embeddings, without requiring complex fine-tuning or clustering algorithms. We make our code available to the public for utilization at https://anonymous.4open.science/r/Text-Clustering-via-LLM-E500.

In this work, we focus on the problem of retrieving relevant arguments for a query claim covering diverse aspects. State-of-the-art methods rely on explicit mappings between claims and premises, and thus are unable to utilize large available collections of premises without laborious and costly manual annotation. Their diversity approach relies on removing duplicates via clustering which does not directly ensure that the selected premises cover all aspects. This work introduces a new multi-step approach for the argument retrieval problem. Rather than relying on ground-truth assignments, our approach employs a machine learning model to capture semantic relationships between arguments. Beyond that, it aims to cover diverse facets of the query, instead of trying to identify duplicates explicitly. Our empirical evaluation demonstrates that our approach leads to a significant improvement in the argument retrieval task even though it requires less data.

Hierarchical clustering of networks consists in finding a tree of communities, such that lower levels of the hierarchy reveal finer-grained community structures. There are two main classes of algorithms tackling this problem. Divisive (top-down) algorithms recursively partition the nodes into two communities, until a stopping rule indicates that no further split is needed. In contrast, agglomerative (bottom-up) algorithms first identify the smallest community structure and then repeatedly merge the communities using a linkage method. In this article, we establish theoretical guarantees for the recovery of the hierarchical tree and community structure of a Hierarchical Stochastic Block Model by a bottom-up algorithm. We also establish that this bottom-up algorithm attains the information-theoretic threshold for exact recovery at intermediate levels of the hierarchy. Notably, these recovery conditions are less restrictive compared to those existing for top-down algorithms. This shows that bottom-up algorithms extend the feasible region for achieving exact recovery at intermediate levels. Numerical experiments on both synthetic and real data sets confirm the superiority of bottom-up algorithms over top-down algorithms. We also observe that top-down algorithms can produce dendrograms with inversions. These findings contribute to a better understanding of hierarchical clustering techniques and their applications in network analysis.

Visual clustering is a common perceptual task in scatterplots that supports diverse analytics tasks (e.g., cluster identification). However, even with the same scatterplot, the ways of perceiving clusters (i.e., conducting visual clustering) can differ due to the differences among individuals and ambiguous cluster boundaries. Although such perceptual variability casts doubt on the reliability of data analysis based on visual clustering, we lack a systematic way to efficiently assess this variability. In this research, we study perceptual variability in conducting visual clustering, which we call Cluster Ambiguity. To this end, we introduce CLAMS, a data-driven visual quality measure for automatically predicting cluster ambiguity in monochrome scatterplots. We first conduct a qualitative study to identify key factors that affect the visual separation of clusters (e.g., proximity or size difference between clusters). Based on study findings, we deploy a regression module that estimates the human-judged separability of two clusters. Then, CLAMS predicts cluster ambiguity by analyzing the aggregated results of all pairwise separability between clusters that are generated by the module. CLAMS outperforms widely-used clustering techniques in predicting ground truth cluster ambiguity. Meanwhile, CLAMS exhibits performance on par with human annotators. We conclude our work by presenting two applications for optimizing and benchmarking data mining techniques using CLAMS. The interactive demo of CLAMS is available at clusterambiguity.dev.

The development of state-of-the-art systems in different applied areas of machine learning (ML) is driven by benchmarks, which have shaped the paradigm of evaluating generalisation capabilities from multiple perspectives. Although the paradigm is shifting towards more fine-grained evaluation across diverse tasks, the delicate question of how to aggregate the performances has received particular interest in the community. In general, benchmarks follow the unspoken utilitarian principles, where the systems are ranked based on their mean average score over task-specific metrics. Such aggregation procedure has been viewed as a sub-optimal evaluation protocol, which may have created the illusion of progress. This paper proposes Vote'n'Rank, a framework for ranking systems in multi-task benchmarks under the principles of the social choice theory. We demonstrate that our approach can be efficiently utilised to draw new insights on benchmarking in several ML sub-fields and identify the best-performing systems in research and development case studies. The Vote'n'Rank's procedures are more robust than the mean average while being able to handle missing performance scores and determine conditions under which the system becomes the winner.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids clustering. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not exist for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains and applications. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm that achieve an O(k)-fold speedup in the second ("SWAP") phase of the algorithm, but will still find the same results as the original PAM algorithm. If we relax the choice of swaps performed (while retaining comparable quality), we can further accelerate the algorithm by eagerly performing additional swaps in each iteration. With the substantially faster SWAP, we can now explore faster initialization strategies, because (i) the classic ("BUILD") initialization now becomes the bottleneck, and (ii) our swap is fast enough to compensate for worse starting conditions. We also show how the CLARA and CLARANS algorithms benefit from the proposed modifications. While we do not study the parallelization of our approach in this work, it can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100,200, we observed a 458x respectively 1191x speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets, and in particular to higher k.

Automatic summarization is the process of reducing a text document in order to generate a summary that retains the most important points of the original document. In this work, we study two problems - i) summarizing a text document as set of keywords/caption, for image recommedation, ii) generating opinion summary which good mix of relevancy and sentiment with the text document. Intially, we present our work on an recommending images for enhancing a substantial amount of existing plain text news articles. We use probabilistic models and word similarity heuristics to generate captions and extract Key-phrases which are re-ranked using a rank aggregation framework with relevance feedback mechanism. We show that such rank aggregation and relevant feedback which are typically used in Tagging Documents, Text Information Retrieval also helps in improving image retrieval. These queries are fed to the Yahoo Search Engine to obtain relevant images 1. Our proposed method is observed to perform better than all existing baselines. Additonally, We propose a set of submodular functions for opinion summarization. Opinion summarization has built in it the tasks of summarization and sentiment detection. However, it is not easy to detect sentiment and simultaneously extract summary. The two tasks conflict in the sense that the demand of compression may drop sentiment bearing sentences, and the demand of sentiment detection may bring in redundant sentences. However, using submodularity we show how to strike a balance between the two requirements. Our functions generate summaries such that there is good correlation between document sentiment and summary sentiment along with good ROUGE score. We also compare the performances of the proposed submodular functions.

Streaming submodular maximization is a natural model for the task of selecting a representative subset from a large-scale dataset. If datapoints have sensitive attributes such as gender or race, it becomes important to enforce fairness to avoid bias and discrimination. This has spurred significant interest in developing fair machine learning algorithms. Recently, such algorithms have been developed for monotone submodular maximization under a cardinality constraint. In this paper, we study the natural generalization of this problem to a matroid constraint. We give streaming algorithms as well as impossibility results that provide trade-offs between efficiency, quality and fairness. We validate our findings empirically on a range of well-known real-world applications: exemplar-based clustering, movie recommendation, and maximum coverage in social networks.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

We study a new connection between a technical measure called mu-conductance that arises in the study of Markov chains for sampling convex bodies and the network community profile that characterizes size-resolved properties of clusters and communities in social and information networks. The idea of mu-conductance is similar to the traditional graph conductance, but disregards sets with small volume. We derive a sequence of optimization problems including a low-rank semi-definite program from which we can derive a lower bound on the optimal mu-conductance value. These ideas give the first theoretically sound bound on the behavior of the network community profile for a wide range of cluster sizes. The algorithm scales up to graphs with hundreds of thousands of nodes and we demonstrate how our framework validates the predicted structures of real-world graphs.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

Floor labels of crowdsourced RF signals are crucial for many smart-city applications, such as multi-floor indoor localization, geofencing, and robot surveillance. To build a prediction model to identify the floor number of a new RF signal upon its measurement, conventional approaches using the crowdsourced RF signals assume that at least few labeled signal samples are available on each floor. In this work, we push the envelope further and demonstrate that it is technically feasible to enable such floor identification with only one floor-labeled signal sample on the bottom floor while having the rest of signal samples unlabeled. We propose FIS-ONE, a novel floor identification system with only one labeled sample. FIS-ONE consists of two steps, namely signal clustering and cluster indexing. We first build a bipartite graph to model the RF signal samples and obtain a latent representation of each node (each signal sample) using our attention-based graph neural network model so that the RF signal samples can be clustered more accurately. Then, we tackle the problem of indexing the clusters with proper floor labels, by leveraging the observation that signals from an access point can be detected on different floors, i.e., signal spillover. Specifically, we formulate a cluster indexing problem as a combinatorial optimization problem and show that it is equivalent to solving a traveling salesman problem, whose (near-)optimal solution can be found efficiently. We have implemented FIS-ONE and validated its effectiveness on the Microsoft dataset and in three large shopping malls. Our results show that FIS-ONE outperforms other baseline algorithms significantly, with up to 23% improvement in adjusted rand index and 25% improvement in normalized mutual information using only one floor-labeled signal sample.

In the light of the COVID-19 pandemic, deep learning methods have been widely investigated in detecting COVID-19 from chest X-rays. However, a more pragmatic approach to applying AI methods to a medical diagnosis is designing a framework that facilitates human-machine interaction and expert decision making. Studies have shown that categorization can play an essential rule in accelerating real-world decision making. Inspired by descriptive document clustering, we propose a domain-independent explanatory clustering framework to group contextually related instances and support radiologists' decision making. While most descriptive clustering approaches employ domain-specific characteristics to form meaningful clusters, we focus on model-level explanation as a more general-purpose element of every learning process to achieve cluster homogeneity. We employ DeepSHAP to generate homogeneous clusters in terms of disease severity and describe the clusters using favorable and unfavorable saliency maps, which visualize the class discriminating regions of an image. These human-interpretable maps complement radiologist knowledge to investigate the whole cluster at once. Besides, as part of this study, we evaluate a model based on VGG-19, which can identify COVID and pneumonia cases with a positive predictive value of 95% and 97%, respectively, comparable to the recent explainable approaches for COVID diagnosis.

Existing graph matching methods typically assume that there are similar structures between graphs and they are matchable. However, these assumptions do not align with real-world applications. This work addresses a more realistic scenario where graphs exhibit diverse modes, requiring graph grouping before or along with matching, a task termed mixture graph matching and clustering. We introduce Minorize-Maximization Matching and Clustering (M3C), a learning-free algorithm that guarantees theoretical convergence through the Minorize-Maximization framework and offers enhanced flexibility via relaxed clustering. Building on M3C, we develop UM3C, an unsupervised model that incorporates novel edge-wise affinity learning and pseudo label selection. Extensive experimental results on public benchmarks demonstrate that our method outperforms state-of-the-art graph matching and mixture graph matching and clustering approaches in both accuracy and efficiency. Source code will be made publicly available.

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al. [2020] proved there are set-aggregation problems for which summing cannot generalise to unbounded inputs, proposing recurrent neural networks regularised towards permutation-invariance as a more expressive aggregator. We show that these results carry over to the graph domain: GNNs equipped with recurrent aggregators are competitive with state-of-the-art permutation-invariant aggregators, on both synthetic benchmarks and real-world problems. However, despite the benefits of recurrent aggregators, their O(V) depth makes them both difficult to parallelise and harder to train on large graphs. Inspired by the observation that a well-behaved aggregator for a GNN is a commutative monoid over its latent space, we propose a framework for constructing learnable, commutative, associative binary operators. And with this, we construct an aggregator of O(log V) depth, yielding exponential improvements for both parallelism and dependency length while achieving performance competitive with recurrent aggregators. Based on our empirical observations, our proposed learnable commutative monoid (LCM) aggregator represents a favourable tradeoff between efficient and expressive aggregators.

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios in (0,1], and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks. The code is publicly available at https://github.com/hamidralmasi/FlagAggregator

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

Designing recommendation systems with limited or no available training data remains a challenge. To that end, a new combinatorial optimization problem is formulated to generate optimized item selection for experimentation with the goal to shorten the time for collecting randomized training data. We first present an overview of the optimized item selection problem and a multi-level optimization framework to solve it. The approach integrates techniques from discrete optimization, unsupervised clustering, and latent text embeddings. We then discuss how to incorporate optimized item selection with active learning as part of randomized exploration in an ongoing fashion.

Node clustering is a powerful tool in the analysis of networks. We introduce a graph neural network framework, named DIGRAC, to obtain node embeddings for directed networks in a self-supervised manner, including a novel probabilistic imbalance loss, which can be used for network clustering. Here, we propose directed flow imbalance measures, which are tightly related to directionality, to reveal clusters in the network even when there is no density difference between clusters. In contrast to standard approaches in the literature, in this paper, directionality is not treated as a nuisance, but rather contains the main signal. DIGRAC optimizes directed flow imbalance for clustering without requiring label supervision, unlike existing graph neural network methods, and can naturally incorporate node features, unlike existing spectral methods. Extensive experimental results on synthetic data, in the form of directed stochastic block models, and real-world data at different scales, demonstrate that our method, based on flow imbalance, attains state-of-the-art results on directed graph clustering when compared against 10 state-of-the-art methods from the literature, for a wide range of noise and sparsity levels, graph structures, and topologies, and even outperforms supervised methods.

Contrastive learning has been widely studied in sentence representation learning. However, earlier works mainly focus on the construction of positive examples, while in-batch samples are often simply treated as negative examples. This approach overlooks the importance of selecting appropriate negative examples, potentially leading to a scarcity of hard negatives and the inclusion of false negatives. To address these issues, we propose ClusterNS (Clustering-aware Negative Sampling), a novel method that incorporates cluster information into contrastive learning for unsupervised sentence representation learning. We apply a modified K-means clustering algorithm to supply hard negatives and recognize in-batch false negatives during training, aiming to solve the two issues in one unified framework. Experiments on semantic textual similarity (STS) tasks demonstrate that our proposed ClusterNS compares favorably with baselines in unsupervised sentence representation learning. Our code has been made publicly available.

We present an accelerated algorithm for hierarchical density based clustering. Our new algorithm improves upon HDBSCAN*, which itself provided a significant qualitative improvement over the popular DBSCAN algorithm. The accelerated HDBSCAN* algorithm provides comparable performance to DBSCAN, while supporting variable density clusters, and eliminating the need for the difficult to tune distance scale parameter. This makes accelerated HDBSCAN* the default choice for density based clustering. Library available at: https://github.com/scikit-learn-contrib/hdbscan

We introduce in this paper the mechanism of graph random features (GRFs). GRFs can be used to construct unbiased randomized estimators of several important kernels defined on graphs' nodes, in particular the regularized Laplacian kernel. As regular RFs for non-graph kernels, they provide means to scale up kernel methods defined on graphs to larger networks. Importantly, they give substantial computational gains also for smaller graphs, while applied in downstream applications. Consequently, GRFs address the notoriously difficult problem of cubic (in the number of the nodes of the graph) time complexity of graph kernels algorithms. We provide a detailed theoretical analysis of GRFs and an extensive empirical evaluation: from speed tests, through Frobenius relative error analysis to kmeans graph-clustering with graph kernels. We show that the computation of GRFs admits an embarrassingly simple distributed algorithm that can be applied if the graph under consideration needs to be split across several machines. We also introduce a (still unbiased) quasi Monte Carlo variant of GRFs, q-GRFs, relying on the so-called reinforced random walks, that might be used to optimize the variance of GRFs. As a byproduct, we obtain a novel approach to solve certain classes of linear equations with positive and symmetric matrices.

The growing interest in machine learning problems over graphs with additional node information such as texts, images, or labels has popularized methods that require the costly operation of processing the entire graph. Yet, little effort has been made to the development of fast local methods (i.e. without accessing the entire graph) that extract useful information from such data. To that end, we propose a study of local graph clustering using noisy node labels as a proxy for additional node information. In this setting, nodes receive initial binary labels based on cluster affiliation: 1 if they belong to the target cluster and 0 otherwise. Subsequently, a fraction of these labels is flipped. We investigate the benefits of incorporating noisy labels for local graph clustering. By constructing a weighted graph with such labels, we study the performance of graph diffusion-based local clustering method on both the original and the weighted graphs. From a theoretical perspective, we consider recovering an unknown target cluster with a single seed node in a random graph with independent noisy node labels. We provide sufficient conditions on the label noise under which, with high probability, using diffusion in the weighted graph yields a more accurate recovery of the target cluster. This approach proves more effective than using the given labels alone or using diffusion in the label-free original graph. Empirically, we show that reliable node labels can be obtained with just a few samples from an attributed graph. Moreover, utilizing these labels via diffusion in the weighted graph leads to significantly better local clustering performance across several real-world datasets, improving F1 scores by up to 13%.

The choice of embedding model is a crucial step in the design of Retrieval Augmented Generation (RAG) systems. Given the sheer volume of available options, identifying clusters of similar models streamlines this model selection process. Relying solely on benchmark performance scores only allows for a weak assessment of model similarity. Thus, in this study, we evaluate the similarity of embedding models within the context of RAG systems. Our assessment is two-fold: We use Centered Kernel Alignment to compare embeddings on a pair-wise level. Additionally, as it is especially pertinent to RAG systems, we evaluate the similarity of retrieval results between these models using Jaccard and rank similarity. We compare different families of embedding models, including proprietary ones, across five datasets from the popular Benchmark Information Retrieval (BEIR). Through our experiments we identify clusters of models corresponding to model families, but interestingly, also some inter-family clusters. Furthermore, our analysis of top-k retrieval similarity reveals high-variance at low k values. We also identify possible open-source alternatives to proprietary models, with Mistral exhibiting the highest similarity to OpenAI models.

As the issue of robustness in AI systems becomes vital, statistical learning techniques that are reliable even in presence of partly contaminated data have to be developed. Preference data, in the form of (complete) rankings in the simplest situations, are no exception and the demand for appropriate concepts and tools is all the more pressing given that technologies fed by or producing this type of data (e.g. search engines, recommending systems) are now massively deployed. However, the lack of vector space structure for the set of rankings (i.e. the symmetric group S_n) and the complex nature of statistics considered in ranking data analysis make the formulation of robustness objectives in this domain challenging. In this paper, we introduce notions of robustness, together with dedicated statistical methods, for Consensus Ranking the flagship problem in ranking data analysis, aiming at summarizing a probability distribution on S_n by a median ranking. Precisely, we propose specific extensions of the popular concept of breakdown point, tailored to consensus ranking, and address the related computational issues. Beyond the theoretical contributions, the relevance of the approach proposed is supported by an experimental study.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Pairwise re-ranking models predict which of two documents is more relevant to a query and then aggregate a final ranking from such preferences. This is often more effective than pointwise re-ranking models that directly predict a relevance value for each document. However, the high inference overhead of pairwise models limits their practical application: usually, for a set of k documents to be re-ranked, preferences for all k^2-k comparison pairs excluding self-comparisons are aggregated. We investigate whether the efficiency of pairwise re-ranking can be improved by sampling from all pairs. In an exploratory study, we evaluate three sampling methods and five preference aggregation methods. The best combination allows for an order of magnitude fewer comparisons at an acceptable loss of retrieval effectiveness, while competitive effectiveness is already achieved with about one third of the comparisons.

Vibration-based condition monitoring systems are receiving increasing attention due to their ability to accurately identify different conditions by capturing dynamic features over a broad frequency range. However, there is little research on clustering approaches in vibration data and the resulting solutions are often optimized for a single data set. In this work, we present an extensive comparison of the clustering algorithms K-means clustering, OPTICS, and Gaussian mixture model clustering (GMM) applied to statistical features extracted from the time and frequency domains of vibration data sets. Furthermore, we investigate the influence of feature combinations, feature selection using principal component analysis (PCA), and the specified number of clusters on the performance of the clustering algorithms. We conducted this comparison in terms of a grid search using three different benchmark data sets. Our work showed that averaging (Mean, Median) and variance-based features (Standard Deviation, Interquartile Range) performed significantly better than shape-based features (Skewness, Kurtosis). In addition, K-means outperformed GMM slightly for these data sets, whereas OPTICS performed significantly worse. We were also able to show that feature combinations as well as PCA feature selection did not result in any significant performance improvements. With an increase in the specified number of clusters, clustering algorithms performed better, although there were some specific algorithmic restrictions.

We consider the problem of constructing small coresets for k-Median in Euclidean spaces. Given a large set of data points Psubset R^d, a coreset is a much smaller set Ssubset R^d, so that the k-Median costs of any k centers w.r.t. P and S are close. Existing literature mainly focuses on the high-dimension case and there has been great success in obtaining dimension-independent bounds, whereas the case for small d is largely unexplored. Considering many applications of Euclidean clustering algorithms are in small dimensions and the lack of systematic studies in the current literature, this paper investigates coresets for k-Median in small dimensions. For small d, a natural question is whether existing near-optimal dimension-independent bounds can be significantly improved. We provide affirmative answers to this question for a range of parameters. Moreover, new lower bound results are also proved, which are the highest for small d. In particular, we completely settle the coreset size bound for 1-d k-Median (up to log factors). Interestingly, our results imply a strong separation between 1-d 1-Median and 1-d 2-Median. As far as we know, this is the first such separation between k=1 and k=2 in any dimension.

Recent studies of large-scale contrastive pretraining in the text embedding domain show that using single-source minibatches, rather than mixed-source minibatches, can substantially improve overall model accuracy. In this work, we explore extending training data stratification beyond source granularity by leveraging a pretrained text embedding model and the classic k-means clustering algorithm to further split training data apart by the semantic clusters within each source. Experimentally, we observe a notable increase in NDCG@10 when pretraining a BERT-based text embedding model on query-passage pairs from the MSMARCO passage retrieval dataset. Additionally, we conceptually connect our clustering approach to both the Topic Aware Sampling (TAS) aspect of the TAS-B methodology and the nearest-neighbor-based hard-negative mining aspect of the ANCE methodology and discuss how this unified view motivates future lines of research on the organization of contrastive pretraining data.

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we first introduce a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To tackle this problem, we propose a novel pseudo-labeling-based learning framework. Our framework formulates pseudo-label generation as a progressive partial optimal transport problem, which progressively transports each sample to imbalanced clusters under prior distribution constraints, thus generating imbalance-aware pseudo-labels and learning from high-confident samples. In addition, we transform the initial formulation into an unbalanced optimal transport problem with augmented constraints, which can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

In this paper, we study two challenging problems in explainable AI (XAI) and data clustering. The first is how to directly design a neural network with inherent interpretability, rather than giving post-hoc explanations of a black-box model. The second is implementing discrete k-means with a differentiable neural network that embraces the advantages of parallel computing, online clustering, and clustering-favorable representation learning. To address these two challenges, we design a novel neural network, which is a differentiable reformulation of the vanilla k-means, called inTerpretable nEuraL cLustering (TELL). Our contributions are threefold. First, to the best of our knowledge, most existing XAI works focus on supervised learning paradigms. This work is one of the few XAI studies on unsupervised learning, in particular, data clustering. Second, TELL is an interpretable, or the so-called intrinsically explainable and transparent model. In contrast, most existing XAI studies resort to various means for understanding a black-box model with post-hoc explanations. Third, from the view of data clustering, TELL possesses many properties highly desired by k-means, including but not limited to online clustering, plug-and-play module, parallel computing, and provable convergence. Extensive experiments show that our method achieves superior performance comparing with 14 clustering approaches on three challenging data sets. The source code could be accessed at www.pengxi.me.

In practical scenarios, the effectiveness of sequential recommendation systems is hindered by the user cold-start problem, which arises due to limited interactions for accurately determining user preferences. Previous studies have attempted to address this issue by combining meta-learning with user and item-side information. However, these approaches face inherent challenges in modeling user preference dynamics, particularly for "minor users" who exhibit distinct preferences compared to more common or "major users." To overcome these limitations, we present a novel approach called ClusterSeq, a Meta-Learning Clustering-Based Sequential Recommender System. ClusterSeq leverages dynamic information in the user sequence to enhance item prediction accuracy, even in the absence of side information. This model preserves the preferences of minor users without being overshadowed by major users, and it capitalizes on the collective knowledge of users within the same cluster. Extensive experiments conducted on various benchmark datasets validate the effectiveness of ClusterSeq. Empirical results consistently demonstrate that ClusterSeq outperforms several state-of-the-art meta-learning recommenders. Notably, compared to existing meta-learning methods, our proposed approach achieves a substantial improvement of 16-39% in Mean Reciprocal Rank (MRR).

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

For a broad range of research, governmental and commercial applications it is important to understand the allegiances, communities and structure of key players in society. One promising direction towards extracting this information is to exploit the rich relational data in digital social networks (the social graph). As social media data sets are very large, most approaches make use of distributed computing systems for this purpose. Distributing graph processing requires solving many difficult engineering problems, which has lead some researchers to look at single-machine solutions that are faster and easier to maintain. In this article, we present a single-machine real-time system for large-scale graph processing that allows analysts to interactively explore graph structures. The key idea is that the aggregate actions of large numbers of users can be compressed into a data structure that encapsulates user similarities while being robust to noise and queryable in real-time. We achieve single machine real-time performance by compressing the neighbourhood of each vertex using minhash signatures and facilitate rapid queries through Locality Sensitive Hashing. These techniques reduce query times from hours using industrial desktop machines operating on the full graph to milliseconds on standard laptops. Our method allows exploration of strongly associated regions (i.e. communities) of large graphs in real-time on a laptop. It has been deployed in software that is actively used by social network analysts and offers another channel for media owners to monetise their data, helping them to continue to provide free services that are valued by billions of people globally.

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

In federated learning (FL), weighted aggregation of local models is conducted to generate a global model, and the aggregation weights are normalized (the sum of weights is 1) and proportional to the local data sizes. In this paper, we revisit the weighted aggregation process and gain new insights into the training dynamics of FL. First, we find that the sum of weights can be smaller than 1, causing global weight shrinking effect (analogous to weight decay) and improving generalization. We explore how the optimal shrinking factor is affected by clients' data heterogeneity and local epochs. Second, we dive into the relative aggregation weights among clients to depict the clients' importance. We develop client coherence to study the learning dynamics and find a critical point that exists. Before entering the critical point, more coherent clients play more essential roles in generalization. Based on the above insights, we propose an effective method for Federated Learning with Learnable Aggregation Weights, named as FedLAW. Extensive experiments verify that our method can improve the generalization of the global model by a large margin on different datasets and models.

A graph homomorphism is a map between two graphs that preserves adjacency relations. We consider the problem of sampling a random graph homomorphism from a graph into a large network. We propose two complementary MCMC algorithms for sampling random graph homomorphisms and establish bounds on their mixing times and the concentration of their time averages. Based on our sampling algorithms, we propose a novel framework for network data analysis that circumvents some of the drawbacks in methods based on independent and neighborhood sampling. Various time averages of the MCMC trajectory give us various computable observables, including well-known ones such as homomorphism density and average clustering coefficient and their generalizations. Furthermore, we show that these network observables are stable with respect to a suitably renormalized cut distance between networks. We provide various examples and simulations demonstrating our framework through synthetic networks. We also demonstrate the performance of our framework on the tasks of network clustering and subgraph classification on the Facebook100 dataset and on Word Adjacency Networks of a set of classic novels.

Federated Learning (FL) is a machine learning paradigm that safeguards privacy by retaining client data on edge devices. However, optimizing FL in practice can be challenging due to the diverse and heterogeneous nature of the learning system. Though recent research has focused on improving the optimization of FL when distribution shifts occur among clients, ensuring global performance when multiple types of distribution shifts occur simultaneously among clients -- such as feature distribution shift, label distribution shift, and concept shift -- remain under-explored. In this paper, we identify the learning challenges posed by the simultaneous occurrence of diverse distribution shifts and propose a clustering principle to overcome these challenges. Through our research, we find that existing methods fail to address the clustering principle. Therefore, we propose a novel clustering algorithm framework, dubbed as FedRC, which adheres to our proposed clustering principle by incorporating a bi-level optimization problem and a novel objective function. Extensive experiments demonstrate that FedRC significantly outperforms other SOTA cluster-based FL methods. Our code is available at https://github.com/LINs-lab/FedRC.

We identify rare and visually distinctive galaxy populations by searching for structure within the learned representations of pretrained models. We show that these representations arrange galaxies by appearance in patterns beyond those needed to predict the pretraining labels. We design a clustering approach to isolate specific local patterns, revealing groups of galaxies with rare and scientifically-interesting morphologies.

This paper studies fast fusion of dense retrieval and sparse lexical retrieval, and proposes a cluster-based selective dense retrieval method called CluSD guided by sparse lexical retrieval. CluSD takes a lightweight cluster-based approach and exploits the overlap of sparse retrieval results and embedding clusters in a two-stage selection process with an LSTM model to quickly identify relevant clusters while incurring limited extra memory space overhead. CluSD triggers partial dense retrieval and performs cluster-based block disk I/O if needed. This paper evaluates CluSD and compares it with several baselines for searching in-memory and on-disk MS MARCO and BEIR datasets.

We study differentially private (DP) algorithms for recovering clusters in well-clustered graphs, which are graphs whose vertex set can be partitioned into a small number of sets, each inducing a subgraph of high inner conductance and small outer conductance. Such graphs have widespread application as a benchmark in the theoretical analysis of spectral clustering. We provide an efficient (epsilon,delta)-DP algorithm tailored specifically for such graphs. Our algorithm draws inspiration from the recent work of Chen et al., who developed DP algorithms for recovery of stochastic block models in cases where the graph comprises exactly two nearly-balanced clusters. Our algorithm works for well-clustered graphs with k nearly-balanced clusters, and the misclassification ratio almost matches the one of the best-known non-private algorithms. We conduct experimental evaluations on datasets with known ground truth clusters to substantiate the prowess of our algorithm. We also show that any (pure) epsilon-DP algorithm would result in substantial error.

We propose a method for unsupervised opinion summarization that encodes sentences from customer reviews into a hierarchical discrete latent space, then identifies common opinions based on the frequency of their encodings. We are able to generate both abstractive summaries by decoding these frequent encodings, and extractive summaries by selecting the sentences assigned to the same frequent encodings. Our method is attributable, because the model identifies sentences used to generate the summary as part of the summarization process. It scales easily to many hundreds of input reviews, because aggregation is performed in the latent space rather than over long sequences of tokens. We also demonstrate that our appraoch enables a degree of control, generating aspect-specific summaries by restricting the model to parts of the encoding space that correspond to desired aspects (e.g., location or food). Automatic and human evaluation on two datasets from different domains demonstrates that our method generates summaries that are more informative than prior work and better grounded in the input reviews.

Driven by advances in recording technology, large-scale high-dimensional datasets have emerged across many scientific disciplines. Especially in biology, clustering is often used to gain insights into the structure of such datasets, for instance to understand the organization of different cell types. However, clustering is known to scale poorly to high dimensions, even though the exact impact of dimensionality is unclear as current benchmark datasets are mostly two-dimensional. Here we propose MNIST-Nd, a set of synthetic datasets that share a key property of real-world datasets, namely that individual samples are noisy and clusters do not perfectly separate. MNIST-Nd is obtained by training mixture variational autoencoders with 2 to 64 latent dimensions on MNIST, resulting in six datasets with comparable structure but varying dimensionality. It thus offers the chance to disentangle the impact of dimensionality on clustering. Preliminary common clustering algorithm benchmarks on MNIST-Nd suggest that Leiden is the most robust for growing dimensions.

Document chunking is a critical task in natural language processing (NLP) that involves dividing a document into meaningful segments. Traditional methods often rely solely on semantic analysis, ignoring the spatial layout of elements, which is crucial for understanding relationships in complex documents. This paper introduces a novel hybrid approach that combines layout structure, semantic analysis, and spatial relationships to enhance the cohesion and accuracy of document chunks. By leveraging bounding box information (bbox) and text embeddings, our method constructs a weighted graph representation of document elements, which is then clustered using spectral clustering. Experimental results demonstrate that this approach outperforms traditional methods, particularly in documents with diverse layouts such as reports, articles, and multi-column designs. The proposed method also ensures that no chunk exceeds a specified token length, making it suitable for use cases where token limits are critical (e.g., language models with input size limitations)

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

Combinatorial inverse problems in high energy physics span enormous algorithmic challenges. This work presents a new deep learning driven clustering algorithm that utilizes a space-time non-local trainable graph constructor, a graph neural network, and a set transformer. The model is trained with loss functions at the graph node, edge and object level, including contrastive learning and meta-supervision. The algorithm can be applied to problems such as charged particle tracking, calorimetry, pile-up discrimination, jet physics, and beyond. We showcase the effectiveness of this cutting-edge AI approach through particle tracking simulations. The code is available online.

In recent years, concept-based approaches have emerged as some of the most promising explainability methods to help us interpret the decisions of Artificial Neural Networks (ANNs). These methods seek to discover intelligible visual 'concepts' buried within the complex patterns of ANN activations in two key steps: (1) concept extraction followed by (2) importance estimation. While these two steps are shared across methods, they all differ in their specific implementations. Here, we introduce a unifying theoretical framework that comprehensively defines and clarifies these two steps. This framework offers several advantages as it allows us: (i) to propose new evaluation metrics for comparing different concept extraction approaches; (ii) to leverage modern attribution methods and evaluation metrics to extend and systematically evaluate state-of-the-art concept-based approaches and importance estimation techniques; (iii) to derive theoretical guarantees regarding the optimality of such methods. We further leverage our framework to try to tackle a crucial question in explainability: how to efficiently identify clusters of data points that are classified based on a similar shared strategy. To illustrate these findings and to highlight the main strategies of a model, we introduce a visual representation called the strategic cluster graph. Finally, we present https://serre-lab.github.io/Lens, a dedicated website that offers a complete compilation of these visualizations for all classes of the ImageNet dataset.

Many computer scientists use the aggregated answers of online workers to represent ground truth. Prior work has shown that aggregation methods such as majority voting are effective for measuring relatively objective features. For subjective features such as semantic connotation, online workers, known for optimizing their hourly earnings, tend to deteriorate in the quality of their responses as they work longer. In this paper, we aim to address this issue by proposing a quality-aware semantic data annotation system. We observe that with timely feedback on workers' performance quantified by quality scores, better informed online workers can maintain the quality of their labeling throughout an extended period of time. We validate the effectiveness of the proposed annotation system through i) evaluating performance based on an expert-labeled dataset, and ii) demonstrating machine learning tasks that can lead to consistent learning behavior with 70%-80% accuracy. Our results suggest that with our system, researchers can collect high-quality answers of subjective semantic features at a large scale.

The recent integration of deep learning and pairwise similarity annotation-based constrained clustering -- i.e., deep constrained clustering (DCC) -- has proven effective for incorporating weak supervision into massive data clustering: Less than 1% of pair similarity annotations can often substantially enhance the clustering accuracy. However, beyond empirical successes, there is a lack of understanding of DCC. In addition, many DCC paradigms are sensitive to annotation noise, but performance-guaranteed noisy DCC methods have been largely elusive. This work first takes a deep look into a recently emerged logistic loss function of DCC, and characterizes its theoretical properties. Our result shows that the logistic DCC loss ensures the identifiability of data membership under reasonable conditions, which may shed light on its effectiveness in practice. Building upon this understanding, a new loss function based on geometric factor analysis is proposed to fend against noisy annotations. It is shown that even under unknown annotation confusions, the data membership can still be provably identified under our proposed learning criterion. The proposed approach is tested over multiple datasets to validate our claims.

Machine learning models often perform poorly on subgroups that are underrepresented in the training data. Yet, little is understood on the variation in mechanisms that cause subpopulation shifts, and how algorithms generalize across such diverse shifts at scale. In this work, we provide a fine-grained analysis of subpopulation shift. We first propose a unified framework that dissects and explains common shifts in subgroups. We then establish a comprehensive benchmark of 20 state-of-the-art algorithms evaluated on 12 real-world datasets in vision, language, and healthcare domains. With results obtained from training over 10,000 models, we reveal intriguing observations for future progress in this space. First, existing algorithms only improve subgroup robustness over certain types of shifts but not others. Moreover, while current algorithms rely on group-annotated validation data for model selection, we find that a simple selection criterion based on worst-class accuracy is surprisingly effective even without any group information. Finally, unlike existing works that solely aim to improve worst-group accuracy (WGA), we demonstrate the fundamental tradeoff between WGA and other important metrics, highlighting the need to carefully choose testing metrics. Code and data are available at: https://github.com/YyzHarry/SubpopBench.

Quantifying the similarity between two mathematical structures or datasets constitutes a particularly interesting and useful operation in several theoretical and applied problems. Aimed at this specific objective, the Jaccard index has been extensively used in the most diverse types of problems, also motivating some respective generalizations. The present work addresses further generalizations of this index, including its modification into a coincidence index capable of accounting also for the level of relative interiority between the two compared entities, as well as respective extensions for sets in continuous vector spaces, the generalization to multiset addition, densities and generic scalar fields, as well as a means to quantify the joint interdependence between two random variables. The also interesting possibility to take into account more than two sets has also been addressed, including the description of an index capable of quantifying the level of chaining between three structures. Several of the described and suggested eneralizations have been illustrated with respect to numeric case examples. It is also posited that these indices can play an important role while analyzing and integrating datasets in modeling approaches and pattern recognition activities, including as a measurement of clusters similarity or separation and as a resource for representing and analyzing complex networks.

Federated learning has exhibited vulnerabilities to Byzantine attacks, where the Byzantine attackers can send arbitrary gradients to a central server to destroy the convergence and performance of the global model. A wealth of robust AGgregation Rules (AGRs) have been proposed to defend against Byzantine attacks. However, Byzantine clients can still circumvent robust AGRs when data is non-Identically and Independently Distributed (non-IID). In this paper, we first reveal the root causes of performance degradation of current robust AGRs in non-IID settings: the curse of dimensionality and gradient heterogeneity. In order to address this issue, we propose GAS, a \shorten approach that can successfully adapt existing robust AGRs to non-IID settings. We also provide a detailed convergence analysis when the existing robust AGRs are combined with GAS. Experiments on various real-world datasets verify the efficacy of our proposed GAS. The implementation code is provided in https://github.com/YuchenLiu-a/byzantine-gas.

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not hold for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains such as biology that require the use of Jaccard, Gower, or more complex distances. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm to achieve an O(k)-fold speedup in the second SWAP phase of the algorithm, but will still find the same results as the original PAM algorithm. If we slightly relax the choice of swaps performed (at comparable quality), we can further accelerate the algorithm by performing up to k swaps in each iteration. With the substantially faster SWAP, we can now also explore alternative strategies for choosing the initial medoids. We also show how the CLARA and CLARANS algorithms benefit from these modifications. It can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100, we observed a 200-fold speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets as long as we can afford to compute a distance matrix, and in particular to higher k (at k=2, the new SWAP was only 1.5 times faster, as the speedup is expected to increase with k).

Recently proposed Graph Neural Networks (GNNs) for vertex clustering are trained with an unsupervised minimum cut objective, approximated by a Spectral Clustering (SC) relaxation. However, the SC relaxation is loose and, while it offers a closed-form solution, it also yields overly smooth cluster assignments that poorly separate the vertices. In this paper, we propose a GNN model that computes cluster assignments by optimizing a tighter relaxation of the minimum cut based on graph total variation (GTV). The cluster assignments can be used directly to perform vertex clustering or to implement graph pooling in a graph classification framework. Our model consists of two core components: i) a message-passing layer that minimizes the ell_1 distance in the features of adjacent vertices, which is key to achieving sharp transitions between clusters; ii) an unsupervised loss function that minimizes the GTV of the cluster assignments while ensuring balanced partitions. Experimental results show that our model outperforms other GNNs for vertex clustering and graph classification.

We present Topological Point Cloud Clustering (TPCC), a new method to cluster points in an arbitrary point cloud based on their contribution to global topological features. TPCC synthesizes desirable features from spectral clustering and topological data analysis and is based on considering the spectral properties of a simplicial complex associated to the considered point cloud. As it is based on considering sparse eigenvector computations, TPCC is similarly easy to interpret and implement as spectral clustering. However, by focusing not just on a single matrix associated to a graph created from the point cloud data, but on a whole set of Hodge-Laplacians associated to an appropriately constructed simplicial complex, we can leverage a far richer set of topological features to characterize the data points within the point cloud and benefit from the relative robustness of topological techniques against noise. We test the performance of TPCC on both synthetic and real-world data and compare it with classical spectral clustering.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

In this paper, we propose a recurrent framework for Joint Unsupervised LEarning (JULE) of deep representations and image clusters. In our framework, successive operations in a clustering algorithm are expressed as steps in a recurrent process, stacked on top of representations output by a Convolutional Neural Network (CNN). During training, image clusters and representations are updated jointly: image clustering is conducted in the forward pass, while representation learning in the backward pass. Our key idea behind this framework is that good representations are beneficial to image clustering and clustering results provide supervisory signals to representation learning. By integrating two processes into a single model with a unified weighted triplet loss and optimizing it end-to-end, we can obtain not only more powerful representations, but also more precise image clusters. Extensive experiments show that our method outperforms the state-of-the-art on image clustering across a variety of image datasets. Moreover, the learned representations generalize well when transferred to other tasks.

Integrating information from different reference data sources is a major challenge for Retrieval-Augmented Generation (RAG) systems because each knowledge source adopts a unique data structure and follows different conventions. Retrieving from multiple knowledge sources with one fixed strategy usually leads to under-exploitation of information. To mitigate this drawback, inspired by Mix-of-Expert, we introduce Mix-of-Granularity (MoG), a method that dynamically determines the optimal granularity of a knowledge database based on input queries using a router. The router is efficiently trained with a newly proposed loss function employing soft labels. We further extend MoG to Mix-of-Granularity-Graph (MoGG), where reference documents are pre-processed into graphs, enabling the retrieval of relevant information from distantly situated chunks. Extensive experiments demonstrate that both MoG and MoGG effectively predict optimal granularity levels, significantly enhancing the performance of the RAG system in downstream tasks. The code of both MoG and MoGG will be made public.

The advent of large pre-trained models has brought about a paradigm shift in both visual representation learning and natural language processing. However, clustering unlabeled images, as a fundamental and classic machine learning problem, still lacks an effective solution, particularly for large-scale datasets. In this paper, we propose a novel image clustering pipeline that leverages the powerful feature representation of large pre-trained models such as CLIP and cluster images effectively and efficiently at scale. We first developed a novel algorithm to estimate the number of clusters in a given dataset. We then show that the pre-trained features are significantly more structured by further optimizing the rate reduction objective. The resulting features may significantly improve the clustering accuracy, e.g., from 57% to 66% on ImageNet-1k. Furthermore, by leveraging CLIP's multimodality bridge between image and text, we develop a simple yet effective self-labeling algorithm that produces meaningful text labels for the clusters. Through extensive experiments, we show that our pipeline works well on standard datasets such as CIFAR-10, CIFAR-100, and ImageNet-1k. It also extends to datasets without predefined labels, such as LAION-Aesthetics and WikiArts. We released the code in https://github.com/LeslieTrue/CPP.

The k-Nearest Neighbor (kNN) classification approach is conceptually simple - yet widely applied since it often performs well in practical applications. However, using a global constant k does not always provide an optimal solution, e.g., for datasets with an irregular density distribution of data points. This paper proposes an adaptive kNN classifier where k is chosen dynamically for each instance (point) to be classified, such that the expected accuracy of classification is maximized. We define the expected accuracy as the accuracy of a set of structurally similar observations. An arbitrary similarity function can be used to find these observations. We introduce and evaluate different similarity functions. For the evaluation, we use five different classification tasks based on geo-spatial data. Each classification task consists of (tens of) thousands of items. We demonstrate, that the presented expected accuracy measures can be a good estimator for kNN performance, and the proposed adaptive kNN classifier outperforms common kNN and previously introduced adaptive kNN algorithms. Also, we show that the range of considered k can be significantly reduced to speed up the algorithm without negative influence on classification accuracy.

Graph neural networks (GNNs) based methods have achieved impressive performance on node clustering task. However, they are designed on the homophilic assumption of graph and clustering on heterophilic graph is overlooked. Due to the lack of labels, it is impossible to first identify a graph as homophilic or heterophilic before a suitable GNN model can be found. Hence, clustering on real-world graph with various levels of homophily poses a new challenge to the graph research community. To fill this gap, we propose a novel graph clustering method, which contains three key components: graph reconstruction, a mixed filter, and dual graph clustering network. To be graph-agnostic, we empirically construct two graphs which are high homophily and heterophily from each data. The mixed filter based on the new graphs extracts both low-frequency and high-frequency information. To reduce the adverse coupling between node attribute and topological structure, we separately map them into two subspaces in dual graph clustering network. Extensive experiments on 11 benchmark graphs demonstrate our promising performance. In particular, our method dominates others on heterophilic graphs.

Metric learning aims to learn distances from the data, which enhances the performance of similarity-based algorithms. An author style detection task is a metric learning problem, where learning style features with small intra-class variations and larger inter-class differences is of great importance to achieve better performance. Recently, metric learning based on softmax loss has been used successfully for style detection. While softmax loss can produce separable representations, its discriminative power is relatively poor. In this work, we propose NBC-Softmax, a contrastive loss based clustering technique for softmax loss, which is more intuitive and able to achieve superior performance. Our technique meets the criterion for larger number of samples, thus achieving block contrastiveness, which is proven to outperform pair-wise losses. It uses mini-batch sampling effectively and is scalable. Experiments on 4 darkweb social forums, with NBCSAuthor that uses the proposed NBC-Softmax for author and sybil detection, shows that our negative block contrastive approach constantly outperforms state-of-the-art methods using the same network architecture. Our code is publicly available at : https://github.com/gayanku/NBC-Softmax

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

Understanding geometric properties of natural language processing models' latent spaces allows the manipulation of these properties for improved performance on downstream tasks. One such property is the amount of data spread in a model's latent space, or how fully the available latent space is being used. In this work, we define data spread and demonstrate that the commonly used measures of data spread, Average Cosine Similarity and a partition function min/max ratio I(V), do not provide reliable metrics to compare the use of latent space across models. We propose and examine eight alternative measures of data spread, all but one of which improve over these current metrics when applied to seven synthetic data distributions. Of our proposed measures, we recommend one principal component-based measure and one entropy-based measure that provide reliable, relative measures of spread and can be used to compare models of different sizes and dimensionalities.

This work considers the category distribution heterogeneity in federated learning. This issue is due to biased labeling preferences at multiple clients and is a typical setting of data heterogeneity. To alleviate this issue, most previous works consider either regularizing local models or fine-tuning the global model, while they ignore the adjustment of aggregation weights and simply assign weights based on the dataset size. However, based on our empirical observations and theoretical analysis, we find that the dataset size is not optimal and the discrepancy between local and global category distributions could be a beneficial and complementary indicator for determining aggregation weights. We thus propose a novel aggregation method, Federated Learning with Discrepancy-aware Collaboration (FedDisco), whose aggregation weights not only involve both the dataset size and the discrepancy value, but also contribute to a tighter theoretical upper bound of the optimization error. FedDisco also promotes privacy-preservation, communication and computation efficiency, as well as modularity. Extensive experiments show that our FedDisco outperforms several state-of-the-art methods and can be easily incorporated with many existing methods to further enhance the performance. Our code will be available at https://github.com/MediaBrain-SJTU/FedDisco.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

With the increasing importance of online communities, discussion forums, and customer reviews, Internet "trolls" have proliferated thereby making it difficult for information seekers to find relevant and correct information. In this paper, we consider the problem of detecting and identifying Internet trolls, almost all of which are human agents. Identifying a human agent among a human population presents significant challenges compared to detecting automated spam or computerized robots. To learn a troll's behavior, we use contextual anomaly detection to profile each chat user. Using clustering and distance-based methods, we use contextual data such as the group's current goal, the current time, and the username to classify each point as an anomaly. A user whose features significantly differ from the norm will be classified as a troll. We collected 38 million data points from the viral Internet fad, Twitch Plays Pokemon. Using clustering and distance-based methods, we develop heuristics for identifying trolls. Using MapReduce techniques for preprocessing and user profiling, we are able to classify trolls based on 10 features extracted from a user's lifetime history.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

Reliably labelling data typically requires annotations from multiple human workers. However, humans are far from being perfect. Hence, it is a common practice to aggregate labels gathered from multiple annotators to make a more confident estimate of the true label. Among many aggregation methods, the simple and well known Majority Vote (MV) selects the class label polling the highest number of votes. However, despite its importance, the optimality of MV's label aggregation has not been extensively studied. We address this gap in our work by characterising the conditions under which MV achieves the theoretically optimal lower bound on label estimation error. Our results capture the tolerable limits on annotation noise under which MV can optimally recover labels for a given class distribution. This certificate of optimality provides a more principled approach to model selection for label aggregation as an alternative to otherwise inefficient practices that sometimes include higher experts, gold labels, etc., that are all marred by the same human uncertainty despite huge time and monetary costs. Experiments on both synthetic and real world data corroborate our theoretical findings.

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a clear advantage to using Mean and Max. An examination of the theoretical guarantee identifies two caveats. First, it is size-restricted, that is, the power of every specific GNN is limited to graphs of a specific size. Successfully processing larger graphs may require an other GNN, and so on. Second, it concerns the power to distinguish non-isomorphic graphs, not the power to approximate general functions on graphs, and the former does not necessarily imply the latter. It is desired that a GNN's usability will not be limited to graphs of any specific size. Therefore, we explore the realm of unrestricted-size expressivity. We prove that basic functions, which can be computed exactly by Mean or Max GNNs, are inapproximable by any Sum GNN. We prove that under certain restrictions, every Mean or Max GNN can be approximated by a Sum GNN, but even there, a combination of (Sum, [Mean/Max]) is more expressive than Sum alone. Lastly, we prove further expressivity limitations for GNNs with a broad class of aggregations.

In this paper, we introduce analytic federated learning (AFL), a new training paradigm that brings analytical (i.e., closed-form) solutions to the federated learning (FL) community. Our AFL draws inspiration from analytic learning -- a gradient-free technique that trains neural networks with analytical solutions in one epoch. In the local client training stage, the AFL facilitates a one-epoch training, eliminating the necessity for multi-epoch updates. In the aggregation stage, we derive an absolute aggregation (AA) law. This AA law allows a single-round aggregation, removing the need for multiple aggregation rounds. More importantly, the AFL exhibits a weight-invariant property, meaning that regardless of how the full dataset is distributed among clients, the aggregated result remains identical. This could spawn various potentials, such as data heterogeneity invariance, client-number invariance, absolute convergence, and being hyperparameter-free (our AFL is the first hyperparameter-free method in FL history). We conduct experiments across various FL settings including extremely non-IID ones, and scenarios with a large number of clients (e.g., ge 1000). In all these settings, our AFL constantly performs competitively while existing FL techniques encounter various obstacles. Code is available at https://github.com/ZHUANGHP/Analytic-federated-learning

Recent advances in text autoencoders have significantly improved the quality of the latent space, which enables models to generate grammatical and consistent text from aggregated latent vectors. As a successful application of this property, unsupervised opinion summarization models generate a summary by decoding the aggregated latent vectors of inputs. More specifically, they perform the aggregation via simple average. However, little is known about how the vector aggregation step affects the generation quality. In this study, we revisit the commonly used simple average approach by examining the latent space and generated summaries. We found that text autoencoders tend to generate overly generic summaries from simply averaged latent vectors due to an unexpected L_2-norm shrinkage in the aggregated latent vectors, which we refer to as summary vector degeneration. To overcome this issue, we develop a framework Coop, which searches input combinations for the latent vector aggregation using input-output word overlap. Experimental results show that Coop successfully alleviates the summary vector degeneration issue and establishes new state-of-the-art performance on two opinion summarization benchmarks. Code is available at https://github.com/megagonlabs/coop.

Deep graph clustering has recently received significant attention due to its ability to enhance the representation learning capabilities of models in unsupervised scenarios. Nevertheless, deep clustering for temporal graphs, which could capture crucial dynamic interaction information, has not been fully explored. It means that in many clustering-oriented real-world scenarios, temporal graphs can only be processed as static graphs. This not only causes the loss of dynamic information but also triggers huge computational consumption. To solve the problem, we propose a general framework for deep Temporal Graph Clustering called TGC, which introduces deep clustering techniques to suit the interaction sequence-based batch-processing pattern of temporal graphs. In addition, we discuss differences between temporal graph clustering and static graph clustering from several levels. To verify the superiority of the proposed framework TGC, we conduct extensive experiments. The experimental results show that temporal graph clustering enables more flexibility in finding a balance between time and space requirements, and our framework can effectively improve the performance of existing temporal graph learning methods. The code is released: https://github.com/MGitHubL/Deep-Temporal-Graph-Clustering.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

In this paper, we propose a new class of metric for table structure recognition (TSR) evaluation, called grid table similarity (GriTS). Unlike prior metrics, GriTS evaluates the correctness of a predicted table directly in its natural form as a matrix. To create a similarity measure between matrices, we generalize the two-dimensional largest common substructure (2D-LCS) problem, which is NP-hard, to the 2D most similar substructures (2D-MSS) problem and propose a polynomial-time heuristic for solving it. This algorithm produces both an upper and a lower bound on the true similarity between matrices. We show using evaluation on a large real-world dataset that in practice there is almost no difference between these bounds. We compare GriTS to other metrics and empirically validate that matrix similarity exhibits more desirable behavior than alternatives for TSR performance evaluation. Finally, GriTS unifies all three subtasks of cell topology recognition, cell location recognition, and cell content recognition within the same framework, which simplifies the evaluation and enables more meaningful comparisons across different types of TSR approaches. Code will be released at https://github.com/microsoft/table-transformer.

Joint clustering and feature learning methods have shown remarkable performance in unsupervised representation learning. However, the training schedule alternating between feature clustering and network parameters update leads to unstable learning of visual representations. To overcome this challenge, we propose Online Deep Clustering (ODC) that performs clustering and network update simultaneously rather than alternatingly. Our key insight is that the cluster centroids should evolve steadily in keeping the classifier stably updated. Specifically, we design and maintain two dynamic memory modules, i.e., samples memory to store samples labels and features, and centroids memory for centroids evolution. We break down the abrupt global clustering into steady memory update and batch-wise label re-assignment. The process is integrated into network update iterations. In this way, labels and the network evolve shoulder-to-shoulder rather than alternatingly. Extensive experiments demonstrate that ODC stabilizes the training process and boosts the performance effectively. Code: https://github.com/open-mmlab/OpenSelfSup.

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central approach to manifold learning, and hyperbolic geometry. Specifically, using diffusion geometry, we build multi-scale densities on the data, aimed to reveal their hierarchical structure, and then embed them into a product of hyperbolic spaces. We show theoretically that our embedding and distance recover the underlying hierarchical structure. In addition, we demonstrate the efficacy of the proposed method and its advantages compared to existing methods on graph embedding benchmarks and hierarchical datasets.

The Automunge open source python library platform for tabular data pre-processing automates feature engineering data transformations of numerical encoding and missing data infill to received tidy data on bases fit to properties of columns in a designated train set for consistent and efficient application to subsequent data pipelines such as for inference, where transformations may be applied to distinct columns in "family tree" sets with generations and branches of derivations. Included in the library of transformations are methods to extract structure from bounded categorical string sets by way of automated string parsing, in which comparisons between entries in the set of unique values are parsed to identify character subset overlaps which may be encoded by appended columns of boolean overlap detection activations or by replacing string entries with identified overlap partitions. Further string parsing options, which may also be applied to unbounded categoric sets, include extraction of numeric substring partitions from entries or search functions to identify presence of specified substring partitions. The aggregation of these methods into "family tree" sets of transformations are demonstrated for use to automatically extract structure from categoric string compositions in relation to the set of entries in a column, such as may be applied to prepare categoric string set encodings for machine learning without human intervention.

The Text-to-SQL task, aiming to translate the natural language of the questions into SQL queries, has drawn much attention recently. One of the most challenging problems of Text-to-SQL is how to generalize the trained model to the unseen database schemas, also known as the cross-domain Text-to-SQL task. The key lies in the generalizability of (i) the encoding method to model the question and the database schema and (ii) the question-schema linking method to learn the mapping between words in the question and tables/columns in the database schema. Focusing on the above two key issues, we propose a Structure-Aware Dual Graph Aggregation Network (SADGA) for cross-domain Text-to-SQL. In SADGA, we adopt the graph structure to provide a unified encoding model for both the natural language question and database schema. Based on the proposed unified modeling, we further devise a structure-aware aggregation method to learn the mapping between the question-graph and schema-graph. The structure-aware aggregation method is featured with Global Graph Linking, Local Graph Linking, and Dual-Graph Aggregation Mechanism. We not only study the performance of our proposal empirically but also achieved 3rd place on the challenging Text-to-SQL benchmark Spider at the time of writing.

The Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition aims to improve state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. On the dual task, we design models to make branching decisions to promote the dual bound increase faster. We propose a knowledge inheritance method to generalize knowledge of different models from the dataset aggregation process, named KIDA. Our improvement overcomes some defects of the baseline graph-neural-networks-based methods. Further, we won the 1st Place on the dual task. We hope this report can provide useful experience for developers and researchers. The code is available at https://github.com/megvii-research/NeurIPS2021-ML4CO-KIDA.

Dense Retrieval (DR) has achieved state-of-the-art first-stage ranking effectiveness. However, the efficiency of most existing DR models is limited by the large memory cost of storing dense vectors and the time-consuming nearest neighbor search (NNS) in vector space. Therefore, we present RepCONC, a novel retrieval model that learns discrete Representations via CONstrained Clustering. RepCONC jointly trains dual-encoders and the Product Quantization (PQ) method to learn discrete document representations and enables fast approximate NNS with compact indexes. It models quantization as a constrained clustering process, which requires the document embeddings to be uniformly clustered around the quantization centroids and supports end-to-end optimization of the quantization method and dual-encoders. We theoretically demonstrate the importance of the uniform clustering constraint in RepCONC and derive an efficient approximate solution for constrained clustering by reducing it to an instance of the optimal transport problem. Besides constrained clustering, RepCONC further adopts a vector-based inverted file system (IVF) to support highly efficient vector search on CPUs. Extensive experiments on two popular ad-hoc retrieval benchmarks show that RepCONC achieves better ranking effectiveness than competitive vector quantization baselines under different compression ratio settings. It also substantially outperforms a wide range of existing retrieval models in terms of retrieval effectiveness, memory efficiency, and time efficiency.

Due to the subjectivity of the summarization, it is a good practice to have more than one gold summary for each training document. However, many modern large-scale abstractive summarization datasets have only one-to-one samples written by different human with different styles. The impact of this phenomenon is understudied. We formulate the differences among possible multiple expressions summarizing the same content as subjective bias and examine the role of this bias in the context of abstractive summarization. In this paper a lightweight and effective method to extract the feature embeddings of subjective styles is proposed. Results of summarization models trained on style-clustered datasets show that there are certain types of styles that lead to better convergence, abstraction and generalization. The reproducible code and generated summaries are available online.

Deep clustering, which learns representation and semantic clustering without labels information, poses a great challenge for deep learning-based approaches. Despite significant progress in recent years, most existing methods focus on uniformly distributed datasets, significantly limiting the practical applicability of their methods. In this paper, we propose a more practical problem setting named deep imbalanced clustering, where the underlying classes exhibit an imbalance distribution. To address this challenge, we introduce a novel optimal transport-based pseudo-label learning framework. Our framework formulates pseudo-label generation as a Semantic-regularized Progressive Partial Optimal Transport (SP^2OT) problem, which progressively transports each sample to imbalanced clusters under several prior distribution and semantic relation constraints, thus generating high-quality and imbalance-aware pseudo-labels. To solve SP^2OT, we develop a Majorization-Minimization-based optimization algorithm. To be more precise, we employ the strategy of majorization to reformulate the SP^2OT problem into a Progressive Partial Optimal Transport problem, which can be transformed into an unbalanced optimal transport problem with augmented constraints and can be solved efficiently by a fast matrix scaling algorithm. Experiments on various datasets, including a human-curated long-tailed CIFAR100, challenging ImageNet-R, and large-scale subsets of fine-grained iNaturalist2018 datasets, demonstrate the superiority of our method.

Following each patient visit, physicians draft long semi-structured clinical summaries called SOAP notes. While invaluable to clinicians and researchers, creating digital SOAP notes is burdensome, contributing to physician burnout. In this paper, we introduce the first complete pipelines to leverage deep summarization models to generate these notes based on transcripts of conversations between physicians and patients. After exploring a spectrum of methods across the extractive-abstractive spectrum, we propose Cluster2Sent, an algorithm that (i) extracts important utterances relevant to each summary section; (ii) clusters together related utterances; and then (iii) generates one summary sentence per cluster. Cluster2Sent outperforms its purely abstractive counterpart by 8 ROUGE-1 points, and produces significantly more factual and coherent sentences as assessed by expert human evaluators. For reproducibility, we demonstrate similar benefits on the publicly available AMI dataset. Our results speak to the benefits of structuring summaries into sections and annotating supporting evidence when constructing summarization corpora.

Query reformulation is a well-known problem in Information Retrieval (IR) aimed at enhancing single search successful completion rate by automatically modifying user's input query. Recent methods leverage Large Language Models (LLMs) to improve query reformulation, but often generate limited and redundant expansions, potentially constraining their effectiveness in capturing diverse intents. In this paper, we propose GenCRF: a Generative Clustering and Reformulation Framework to capture diverse intentions adaptively based on multiple differentiated, well-generated queries in the retrieval phase for the first time. GenCRF leverages LLMs to generate variable queries from the initial query using customized prompts, then clusters them into groups to distinctly represent diverse intents. Furthermore, the framework explores to combine diverse intents query with innovative weighted aggregation strategies to optimize retrieval performance and crucially integrates a novel Query Evaluation Rewarding Model (QERM) to refine the process through feedback loops. Empirical experiments on the BEIR benchmark demonstrate that GenCRF achieves state-of-the-art performance, surpassing previous query reformulation SOTAs by up to 12% on nDCG@10. These techniques can be adapted to various LLMs, significantly boosting retriever performance and advancing the field of Information Retrieval.

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

Generative Retrieval (GR), autoregressively decoding relevant document identifiers given a query, has been shown to perform well under the setting of small-scale corpora. By memorizing the document corpus with model parameters, GR implicitly achieves deep interaction between query and document. However, such a memorizing mechanism faces three drawbacks: (1) Poor memory accuracy for fine-grained features of documents; (2) Memory confusion gets worse as the corpus size increases; (3) Huge memory update costs for new documents. To alleviate these problems, we propose the Generative Dense Retrieval (GDR) paradigm. Specifically, GDR first uses the limited memory volume to achieve inter-cluster matching from query to relevant document clusters. Memorizing-free matching mechanism from Dense Retrieval (DR) is then introduced to conduct fine-grained intra-cluster matching from clusters to relevant documents. The coarse-to-fine process maximizes the advantages of GR's deep interaction and DR's scalability. Besides, we design a cluster identifier constructing strategy to facilitate corpus memory and a cluster-adaptive negative sampling strategy to enhance the intra-cluster mapping ability. Empirical results show that GDR obtains an average of 3.0 R@100 improvement on NQ dataset under multiple settings and has better scalability.

Topic modeling is admittedly a convenient way to monitor markets trend. Conventionally, Latent Dirichlet Allocation, LDA, is considered a must-do model to gain this type of information. By given the merit of deducing keyword with token conditional probability in LDA, we can know the most possible or essential topic. However, the results are not intuitive because the given topics cannot wholly fit human knowledge. LDA offers the first possible relevant keywords, which also brings out another problem of whether the connection is reliable based on the statistic possibility. It is also hard to decide the topic number manually in advance. As the booming trend of using fuzzy membership to cluster and using transformers to embed words, this work presents the fuzzy topic modeling based on soft clustering and document embedding from state-of-the-art transformer-based model. In our practical application in a press release monitoring, the fuzzy topic modeling gives a more natural result than the traditional output from LDA.

In this paper, we address the problem of generalized category discovery (GCD), \ie, given a set of images where part of them are labelled and the rest are not, the task is to automatically cluster the images in the unlabelled data, leveraging the information from the labelled data, while the unlabelled data contain images from the labelled classes and also new ones. GCD is similar to semi-supervised learning (SSL) but is more realistic and challenging, as SSL assumes all the unlabelled images are from the same classes as the labelled ones. We also do not assume the class number in the unlabelled data is known a-priori, making the GCD problem even harder. To tackle the problem of GCD without knowing the class number, we propose an EM-like framework that alternates between representation learning and class number estimation. We propose a semi-supervised variant of the Gaussian Mixture Model (GMM) with a stochastic splitting and merging mechanism to dynamically determine the prototypes by examining the cluster compactness and separability. With these prototypes, we leverage prototypical contrastive learning for representation learning on the partially labelled data subject to the constraints imposed by the labelled data. Our framework alternates between these two steps until convergence. The cluster assignment for an unlabelled instance can then be retrieved by identifying its nearest prototype. We comprehensively evaluate our framework on both generic image classification datasets and challenging fine-grained object recognition datasets, achieving state-of-the-art performance.

This paper investigates scaling laws for local SGD in LLM training, a distributed optimization algorithm that facilitates training on loosely connected devices. Through extensive experiments, we show that local SGD achieves competitive results compared to conventional methods, given equivalent model parameters, datasets, and computational resources. Furthermore, we explore the application of local SGD in various practical scenarios, including multi-cluster setups and edge computing environments. Our findings elucidate the necessary conditions for effective multi-cluster LLM training and examine the potential and limitations of leveraging edge computing resources in the LLM training process. This demonstrates its viability as an alternative to single large-cluster training.

Multi-document summarization (MDS) aims to compress the content in large document collections into short summaries and has important applications in story clustering for newsfeeds, presentation of search results, and timeline generation. However, there is a lack of datasets that realistically address such use cases at a scale large enough for training supervised models for this task. This work presents a new dataset for MDS that is large both in the total number of document clusters and in the size of individual clusters. We build this dataset by leveraging the Wikipedia Current Events Portal (WCEP), which provides concise and neutral human-written summaries of news events, with links to external source articles. We also automatically extend these source articles by looking for related articles in the Common Crawl archive. We provide a quantitative analysis of the dataset and empirical results for several state-of-the-art MDS techniques.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

In this paper, we investigate the challenge of integrating tables from data lakes, focusing on three core tasks: 1) pairwise integrability judgment, which determines whether a tuple pair in a table is integrable, accounting for any occurrences of semantic equivalence or typographical errors; 2) integrable set discovery, which aims to identify all integrable sets in a table based on pairwise integrability judgments established in the first task; 3) multi-tuple conflict resolution, which resolves conflicts among multiple tuples during integration. We train a binary classifier to address the task of pairwise integrability judgment. Given the scarcity of labeled data, we propose a self-supervised adversarial contrastive learning algorithm to perform classification, which incorporates data augmentation methods and adversarial examples to autonomously generate new training data. Upon the output of pairwise integrability judgment, each integrable set is considered as a community, a densely connected sub-graph where nodes and edges correspond to tuples in the table and their pairwise integrability, respectively. We proceed to investigate various community detection algorithms to address the integrable set discovery objective. Moving forward to tackle multi-tuple conflict resolution, we introduce an novel in-context learning methodology. This approach capitalizes on the knowledge embedded within pretrained large language models to effectively resolve conflicts that arise when integrating multiple tuples. Notably, our method minimizes the need for annotated data. Since no suitable test collections are available for our tasks, we develop our own benchmarks using two real-word dataset repositories: Real and Join. We conduct extensive experiments on these benchmarks to validate the robustness and applicability of our methodologies in the context of integrating tables within data lakes.

In multi-document summarization (MDS), the input is a cluster of documents, and the output is the cluster summary. In this paper, we focus on pretraining objectives for MDS. Specifically, we introduce a simple pretraining objective of choosing the ROUGE-based centroid of each document cluster as a proxy for its summary. Our objective thus does not require human written summaries and can be used for pretraining on a dataset containing only clusters of documents. Through zero-shot and fully supervised experiments on multiple MDS datasets, we show that our model Centrum is better or comparable to a state-of-the-art model. We release our pretrained and finetuned models at https://github.com/ratishsp/centrum.

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

Graph clustering discovers groups or communities within networks. Deep learning methods such as autoencoders (AE) extract effective clustering and downstream representations but cannot incorporate rich structural information. While Graph Neural Networks (GNN) have shown great success in encoding graph structure, typical GNNs based on convolution or attention variants suffer from over-smoothing, noise, heterophily, are computationally expensive and typically require the complete graph being present. Instead, we propose Self-Supervised Contrastive Graph Clustering (SCGC), which imposes graph-structure via contrastive loss signals to learn discriminative node representations and iteratively refined soft cluster labels. We also propose SCGC*, with a more effective, novel, Influence Augmented Contrastive (IAC) loss to fuse richer structural information, and half the original model parameters. SCGC(*) is faster with simple linear units, completely eliminate convolutions and attention of traditional GNNs, yet efficiently incorporates structure. It is impervious to layer depth and robust to over-smoothing, incorrect edges and heterophily. It is scalable by batching, a limitation in many prior GNN models, and trivially parallelizable. We obtain significant improvements over state-of-the-art on a wide range of benchmark graph datasets, including images, sensor data, text, and citation networks efficiently. Specifically, 20% on ARI and 18% on NMI for DBLP; overall 55% reduction in training time and overall, 81% reduction on inference time. Our code is available at : https://github.com/gayanku/SCGC

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

Recent well-known works demonstrate encouraging progress in aspect-based sentiment classification (ABSC), while implicit aspect sentiment modeling is still a problem that has to be solved. Our preliminary study shows that implicit aspect sentiments usually depend on adjacent aspects' sentiments, which indicates we can extract implicit sentiment via local sentiment dependency modeling. We formulate a local sentiment aggregation paradigm (LSA) based on empirical sentiment patterns (SP) to address sentiment dependency modeling. Compared to existing methods, LSA is an efficient approach that learns the implicit sentiments in a local sentiment aggregation window, which tackles the efficiency problem and avoids the token-node alignment problem of syntax-based methods. Furthermore, we refine a differential weighting method based on gradient descent that guides the construction of the sentiment aggregation window. According to experimental results, LSA is effective for all objective ABSC models, attaining state-of-the-art performance on three public datasets. LSA is an adaptive paradigm and is ready to be adapted to existing models, and we release the code to offer insight to improve existing ABSC models.

Entity resolution (record linkage, microclustering) systems are notoriously difficult to evaluate. Looking for a needle in a haystack, traditional evaluation methods use sophisticated, application-specific sampling schemes to find matching pairs of records among an immense number of non-matches. We propose an alternative that facilitates the creation of representative, reusable benchmark data sets without necessitating complex sampling schemes. These benchmark data sets can then be used for model training and a variety of evaluation tasks. Specifically, we propose an entity-centric data labeling methodology that integrates with a unified framework for monitoring summary statistics, estimating key performance metrics such as cluster and pairwise precision and recall, and analyzing root causes for errors. We validate the framework in an application to inventor name disambiguation and through simulation studies. Software: https://github.com/OlivierBinette/er-evaluation/

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Deep clustering has exhibited remarkable performance; however, the overconfidence problem, i.e., the estimated confidence for a sample belonging to a particular cluster greatly exceeds its actual prediction accuracy, has been overlooked in prior research. To tackle this critical issue, we pioneer the development of a calibrated deep clustering framework. Specifically, we propose a novel dual-head deep clustering pipeline that can effectively calibrate the estimated confidence and the actual accuracy. The calibration head adjusts the overconfident predictions of the clustering head using regularization methods, generating prediction confidence and pseudo-labels that match the model learning status. This calibration process also guides the clustering head in dynamically selecting reliable high-confidence samples for training. Additionally, we introduce an effective network initialization strategy that enhances both training speed and network robustness. Extensive experiments demonstrate the proposed calibrated deep clustering framework not only surpasses state-of-the-art deep clustering methods by approximately 10 times in terms of expected calibration error but also significantly outperforms them in terms of clustering accuracy.

Federated Learning (FL) typically involves a large-scale, distributed system with individual user devices/servers training models locally and then aggregating their model updates on a trusted central server. Existing systems for FL often use an always-on server for model aggregation, which can be inefficient in terms of resource utilization. They may also be inelastic in their resource management. This is particularly exacerbated when aggregating model updates at scale in a highly dynamic environment with varying numbers of heterogeneous user devices/servers. We present LIFL, a lightweight and elastic serverless cloud platform with fine-grained resource management for efficient FL aggregation at scale. LIFL is enhanced by a streamlined, event-driven serverless design that eliminates the individual heavy-weight message broker and replaces inefficient container-based sidecars with lightweight eBPF-based proxies. We leverage shared memory processing to achieve high-performance communication for hierarchical aggregation, which is commonly adopted to speed up FL aggregation at scale. We further introduce locality-aware placement in LIFL to maximize the benefits of shared memory processing. LIFL precisely scales and carefully reuses the resources for hierarchical aggregation to achieve the highest degree of parallelism while minimizing the aggregation time and resource consumption. Our experimental results show that LIFL achieves significant improvement in resource efficiency and aggregation speed for supporting FL at scale, compared to existing serverful and serverless FL systems.

A common architectural choice for deep metric learning is a convolutional neural network followed by global average pooling (GAP). Albeit simple, GAP is a highly effective way to aggregate information. One possible explanation for the effectiveness of GAP is considering each feature vector as representing a different semantic entity and GAP as a convex combination of them. Following this perspective, we generalize GAP and propose a learnable generalized sum pooling method (GSP). GSP improves GAP with two distinct abilities: i) the ability to choose a subset of semantic entities, effectively learning to ignore nuisance information, and ii) learning the weights corresponding to the importance of each entity. Formally, we propose an entropy-smoothed optimal transport problem and show that it is a strict generalization of GAP, i.e., a specific realization of the problem gives back GAP. We show that this optimization problem enjoys analytical gradients enabling us to use it as a direct learnable replacement for GAP. We further propose a zero-shot loss to ease the learning of GSP. We show the effectiveness of our method with extensive evaluations on 4 popular metric learning benchmarks. Code is available at: GSP-DML Framework

Despite seemingly performant web agents on the task-completion benchmarks, most existing methods evaluate the agents based on a presupposition: the web navigation task consists of linear sequence of actions with an end state that marks task completion. In contrast, our work focuses on web navigation for information aggregation, wherein the agent must explore different websites to gather information for a complex query. We consider web information aggregation from two different perspectives: (i) Direct API-driven Access relies on a text-only view of the Web, leveraging external tools such as Google Search API to navigate the web and a scraper to extract website contents. (ii) Interactive Visual Access uses screenshots of the webpages and requires interaction with the browser to navigate and access information. Motivated by these diverse information access settings, we introduce Infogent, a novel modular framework for web information aggregation involving three distinct components: Navigator, Extractor and Aggregator. Experiments on different information access settings demonstrate Infogent beats an existing SOTA multi-agent search framework by 7% under Direct API-Driven Access on FRAMES, and improves over an existing information-seeking web agent by 4.3% under Interactive Visual Access on AssistantBench.

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we would like to verify that they are bound to meaningful patterns in the data. In this paper, we propose to make similarities interpretable by augmenting them with an explanation in terms of input features. We develop BiLRP, a scalable and theoretically founded method to systematically decompose similarity scores on pairs of input features. Our method can be expressed as a composition of LRP explanations, which were shown in previous works to scale to highly nonlinear functions. Through an extensive set of experiments, we demonstrate that BiLRP robustly explains complex similarity models, e.g. built on VGG-16 deep neural network features. Additionally, we apply our method to an open problem in digital humanities: detailed assessment of similarity between historical documents such as astronomical tables. Here again, BiLRP provides insight and brings verifiability into a highly engineered and problem-specific similarity model.

Due to the rise of privacy concerns, in many practical applications the training data is aggregated before being shared with the learner, in order to protect privacy of users' sensitive responses. In an aggregate learning framework, the dataset is grouped into bags of samples, where each bag is available only with an aggregate response, providing a summary of individuals' responses in that bag. In this paper, we study two natural loss functions for learning from aggregate responses: bag-level loss and the instance-level loss. In the former, the model is learnt by minimizing a loss between aggregate responses and aggregate model predictions, while in the latter the model aims to fit individual predictions to the aggregate responses. In this work, we show that the instance-level loss can be perceived as a regularized form of the bag-level loss. This observation lets us compare the two approaches with respect to bias and variance of the resulting estimators, and introduce a novel interpolating estimator which combines the two approaches. For linear regression tasks, we provide a precise characterization of the risk of the interpolating estimator in an asymptotic regime where the size of the training set grows in proportion to the features dimension. Our analysis allows us to theoretically understand the effect of different factors, such as bag size on the model prediction risk. In addition, we propose a mechanism for differentially private learning from aggregate responses and derive the optimal bag size in terms of prediction risk-privacy trade-off. We also carry out thorough experiments to corroborate our theory and show the efficacy of the interpolating estimator.

Vector databases have emerged as key enablers for bridging intelligent applications with unstructured data, providing generic search and management support for embedding vectors extracted from the raw unstructured data. As multiple data users can share the same database infrastructure, multi-tenancy support for vector databases is increasingly desirable. This hinges on an efficient filtered search operation, i.e., only querying the vectors accessible to a particular tenant. Multi-tenancy in vector databases is currently achieved by building either a single, shared index among all tenants, or a per-tenant index. The former optimizes for memory efficiency at the expense of search performance, while the latter does the opposite. Instead, this paper presents Curator, an in-memory vector index design tailored for multi-tenant queries that simultaneously achieves the two conflicting goals, low memory overhead and high performance for queries, vector insertion, and deletion. Curator indexes each tenant's vectors with a tenant-specific clustering tree and encodes these trees compactly as sub-trees of a shared clustering tree. Each tenant's clustering tree adapts dynamically to its unique vector distribution, while maintaining a low per-tenant memory footprint. Our evaluation, based on two widely used data sets, confirms that Curator delivers search performance on par with per-tenant indexing, while maintaining memory consumption at the same level as metadata filtering on a single, shared index.

Ensembling is among the most popular tools in machine learning (ML) due to its effectiveness in minimizing variance and thus improving generalization. Most ensembling methods for black-box base learners fall under the umbrella of "stacked generalization," namely training an ML algorithm that takes the inferences from the base learners as input. While stacking has been widely applied in practice, its theoretical properties are poorly understood. In this paper, we prove a novel result, showing that choosing the best stacked generalization from a (finite or finite-dimensional) family of stacked generalizations based on cross-validated performance does not perform "much worse" than the oracle best. Our result strengthens and significantly extends the results in Van der Laan et al. (2007). Inspired by the theoretical analysis, we further propose a particular family of stacked generalizations in the context of probabilistic forecasting, each one with a different sensitivity for how much the ensemble weights are allowed to vary across items, timestamps in the forecast horizon, and quantiles. Experimental results demonstrate the performance gain of the proposed method.

Domain-specific data is the crux of the successful transfer of machine learning systems from benchmarks to real life. In simple problems such as image classification, crowdsourcing has become one of the standard tools for cheap and time-efficient data collection: thanks in large part to advances in research on aggregation methods. However, the applicability of crowdsourcing to more complex tasks (e.g., speech recognition) remains limited due to the lack of principled aggregation methods for these modalities. The main obstacle towards designing aggregation methods for more advanced applications is the absence of training data, and in this work, we focus on bridging this gap in speech recognition. For this, we collect and release CrowdSpeech -- the first publicly available large-scale dataset of crowdsourced audio transcriptions. Evaluation of existing and novel aggregation methods on our data shows room for improvement, suggesting that our work may entail the design of better algorithms. At a higher level, we also contribute to the more general challenge of developing the methodology for reliable data collection via crowdsourcing. In that, we design a principled pipeline for constructing datasets of crowdsourced audio transcriptions in any novel domain. We show its applicability on an under-resourced language by constructing VoxDIY -- a counterpart of CrowdSpeech for the Russian language. We also release the code that allows a full replication of our data collection pipeline and share various insights on best practices of data collection via crowdsourcing.

We present network embedding algorithms that capture information about a node from the local distribution over node attributes around it, as observed over random walks following an approach similar to Skip-gram. Observations from neighborhoods of different sizes are either pooled (AE) or encoded distinctly in a multi-scale approach (MUSAE). Capturing attribute-neighborhood relationships over multiple scales is useful for a diverse range of applications, including latent feature identification across disconnected networks with similar attributes. We prove theoretically that matrices of node-feature pointwise mutual information are implicitly factorized by the embeddings. Experiments show that our algorithms are robust, computationally efficient and outperform comparable models on social networks and web graphs.

Nonlinear model order reduction has opened the door to parameter optimization and uncertainty quantification in complex physics problems governed by nonlinear equations. In particular, the computational cost of solving these equations can be reduced by means of local reduced-order bases. This article examines the benefits of a physics-informed cluster analysis for the construction of cluster-specific reduced-order bases. We illustrate that the choice of the dissimilarity measure for clustering is fundamental and highly affects the performances of the local reduced-order bases. It is shown that clustering with an angle-based dissimilarity on simulation data efficiently decreases the intra-cluster Kolmogorov N-width. Additionally, an a priori efficiency criterion is introduced to assess the relevance of a ROM-net, a methodology for the reduction of nonlinear physics problems introduced in our previous work in [T. Daniel, F. Casenave, N. Akkari, D. Ryckelynck, Model order reduction assisted by deep neural networks (ROM-net), Advanced Modeling and Simulation in Engineering Sciences 7 (16), 2020]. This criterion also provides engineers with a very practical method for ROM-nets' hyperparameters calibration under constrained computational costs for the training phase. On five different physics problems, our physics-informed clustering strategy significantly outperforms classic strategies for the construction of local reduced-order bases in terms of projection errors.

The exponential growth of scientific literature necessitates advanced tools for effective knowledge exploration. We present Knowledge Navigator, a system designed to enhance exploratory search abilities by organizing and structuring the retrieved documents from broad topical queries into a navigable, two-level hierarchy of named and descriptive scientific topics and subtopics. This structured organization provides an overall view of the research themes in a domain, while also enabling iterative search and deeper knowledge discovery within specific subtopics by allowing users to refine their focus and retrieve additional relevant documents. Knowledge Navigator combines LLM capabilities with cluster-based methods to enable an effective browsing method. We demonstrate our approach's effectiveness through automatic and manual evaluations on two novel benchmarks, CLUSTREC-COVID and SCITOC. Our code, prompts, and benchmarks are made publicly available.

In this paper, we introduce a novel graph-based method to classify the regions with similar climate in a local area. We refer our proposed method as Graph Partition Based Method (GPBM). Our proposed method attempts to overcome the shortcomings of the current state-of-the-art methods in the literature. It has no limit on the number of variables that can be used and also preserves the nature of climate data. To illustrate the capability of our proposed algorithm, we benchmark its performance with other state-of-the-art climate classification techniques. The climate data is collected from 24 synoptic stations in Fars province in southern Iran. The data includes seven climate variables stored as time series from 1951 to 2017. Our results exhibit that our proposed method performs a more realistic climate classification with less computational time. It can save more information during the climate classification process and is therefore efficient in further data analysis. Furthermore, using our method, we can introduce seasonal graphs to better investigate seasonal climate changes. To the best of our knowledge, our proposed method is the first graph-based climate classification system.