Daily Papers

Voice anonymization protects speaker privacy by concealing identity while preserving linguistic and paralinguistic content. Self-supervised learning (SSL) representations encode linguistic features but preserve speaker traits. We propose a novel speaker-embedding-free framework called SEF-MK. Instead of using a single k-means model trained on the entire dataset, SEF-MK anonymizes SSL representations for each utterance by randomly selecting one of multiple k-means models, each trained on a different subset of speakers. We explore this approach from both attacker and user perspectives. Extensive experiments show that, compared to a single k-means model, SEF-MK with multiple k-means models better preserves linguistic and emotional content from the user's viewpoint. However, from the attacker's perspective, utilizing multiple k-means models boosts the effectiveness of privacy attacks. These insights can aid users in designing voice anonymization systems to mitigate attacker threats.

The rise of transformers in vision tasks not only advances network backbone designs, but also starts a brand-new page to achieve end-to-end image recognition (e.g., object detection and panoptic segmentation). Originated from Natural Language Processing (NLP), transformer architectures, consisting of self-attention and cross-attention, effectively learn long-range interactions between elements in a sequence. However, we observe that most existing transformer-based vision models simply borrow the idea from NLP, neglecting the crucial difference between languages and images, particularly the extremely large sequence length of spatially flattened pixel features. This subsequently impedes the learning in cross-attention between pixel features and object queries. In this paper, we rethink the relationship between pixels and object queries and propose to reformulate the cross-attention learning as a clustering process. Inspired by the traditional k-means clustering algorithm, we develop a k-means Mask Xformer (kMaX-DeepLab) for segmentation tasks, which not only improves the state-of-the-art, but also enjoys a simple and elegant design. As a result, our kMaX-DeepLab achieves a new state-of-the-art performance on COCO val set with 58.0% PQ, Cityscapes val set with 68.4% PQ, 44.0% AP, and 83.5% mIoU, and ADE20K val set with 50.9% PQ and 55.2% mIoU without test-time augmentation or external dataset. We hope our work can shed some light on designing transformers tailored for vision tasks. TensorFlow code and models are available at https://github.com/google-research/deeplab2 A PyTorch re-implementation is also available at https://github.com/bytedance/kmax-deeplab

Multi-vector retrieval (MVR) models, exemplified by ColBERT, have established new benchmarks in retrieval accuracy by preserving fine-grained token-level interactions. However, this granularity imposes prohibitive storage and retrieval efficiency bottlenecks: to manage the immense memory footprint and computational overhead of billion-scale token vectors, state-of-the-art systems are forced to rely on aggressive dimension reduction and complex clustering (e.g., K-means). This compromise introduces two critical limitations: excessive indexing latency of clustering large-scale corpora and semantic information loss inherent to compression. In this paper, we propose Single-stage Sparse Retrieval (SSR}, a paradigm shift that replaces expensive clustering with efficient sparse coding. Instead of compressing features into low-dimensional dense vectors, we utilize Sparse Autoencoder (SAE) to project token embeddings into a high-dimensional but highly sparse representation. This transformation enables us to bypass vector clustering entirely and leverage inverted indexing for precise, high-throughput retrieval. Extensive experiments on the BEIR benchmark demonstrate that SSR achieves a "trifecta" of improvements: it reduces indexing time by 15x compared to ColBERTv2, halves retrieval latency, and simultaneously improves retrieval performance over leading baselines.

Deep neural network (DNN) model compression for efficient on-device inference is becoming increasingly important to reduce memory requirements and keep user data on-device. To this end, we propose a novel differentiable k-means clustering layer (DKM) and its application to train-time weight clustering-based DNN model compression. DKM casts k-means clustering as an attention problem and enables joint optimization of the DNN parameters and clustering centroids. Unlike prior works that rely on additional regularizers and parameters, DKM-based compression keeps the original loss function and model architecture fixed. We evaluated DKM-based compression on various DNN models for computer vision and natural language processing (NLP) tasks. Our results demonstrate that DKM delivers superior compression and accuracy trade-off on ImageNet1k and GLUE benchmarks. For example, DKM-based compression can offer 74.5% top-1 ImageNet1k accuracy on ResNet50 DNN model with 3.3MB model size (29.4x model compression factor). For MobileNet-v1, which is a challenging DNN to compress, DKM delivers 63.9% top-1 ImageNet1k accuracy with 0.72 MB model size (22.4x model compression factor). This result is 6.8% higher top-1accuracy and 33% relatively smaller model size than the current state-of-the-art DNN compression algorithms. Additionally, DKM enables compression of DistilBERT model by 11.8x with minimal (1.1%) accuracy loss on GLUE NLP benchmarks.

In recent years, there has been growing interest in representing speech with discrete tokens, which serve as pseudo-text for speech language models (speechLMs) and as efficient intermediate representations for downstream tasks. These tokens are typically categorized as acoustic and phonetic tokens: the former holds detailed acoustic information for reconstruction while the latter mainly captures linguistic content. In human speech communication, however, unnecessary acoustic details such as speaker information are abstracted, while both linguistic and prosodic information are utilized for speech comprehension and production. Given this, neither type of token seems an ideal representation for tasks sensitive to prosody, such as speechLMs. In this study, we propose the Phonological Tokenizer, a method that fine-tunes phonetic tokens via differentiable k-means with a multi-task objective of ASR and speech resynthesis. Experimental validation on diverse tasks confirms that our tokens retain phonological (both linguistic and prosodic) information while appropriately discarding speaker identity.

Deploying deep learning models on edge CPUs is bottlenecked by computational and memory constraints. Mixed-precision quantization promises to reduce inference latency while preserving accuracy. However, quantization affects different layer types in inconsistent ways, so identifying where accuracy loss is minimized and latency reduction is maximized is critical, as the effect accumulates over a full deployment into substantial savings or unacceptable task degradation. Such identification relies on sensitivity metrics, proxies that estimate layer-wise degradation without evaluating the task accuracy of every candidate policy. Nevertheless, widely used metrics fail systematically on modern architectures. We present a systematic empirical study of 13 sensitivity metrics for layer-wise INT8 quantization across four distinctly different neural networks, and validate the resulting policies on two ARM64 platforms. Gradient-based sensitivity methods fail on 4 out of 8 model-hardware configurations and weight-based statistics on 2. In contrast, the Jensen-Shannon Divergence achieves zero catastrophic failures, reliably isolating the layers that cannot be safely quantized. A sensitivity metric alone does not define a policy, and the fixed thresholds typically used for that step are fragile over the highly skewed distributions of modern architectures. We address this with K-Means clustering, achieving near-lossless accuracy and a mean speed-up of 1.81times over the full-precision model. Finally, we reveal that excluding from quantization the layers whose speed-up is negligible, regardless of their sensitivity, can be counterproductive, as it induces computational graph fragmentation and disables operator fusion. Our results yield concrete allocation policies for practitioners and researchers deploying quantized vision models on heterogeneous edge CPUs, without GPU access or gradient computation.

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.

In recent years, the rise of large language models (LLMs) has made it possible to directly achieve named entity recognition (NER) without any demonstration samples or only using a few samples through in-context learning (ICL). However, standard ICL only helps LLMs understand task instructions, format and input-label mapping, but neglects the particularity of the NER task itself. In this paper, we propose a new prompting framework P-ICL to better achieve NER with LLMs, in which some point entities are leveraged as the auxiliary information to recognize each entity type. With such significant information, the LLM can achieve entity classification more precisely. To obtain optimal point entities for prompting LLMs, we also proposed a point entity selection method based on K-Means clustering. Our extensive experiments on some representative NER benchmarks verify the effectiveness of our proposed strategies in P-ICL and point entity selection.

Real-time detection and prediction of extreme weather protect human lives and infrastructure. Traditional methods rely on numerical threshold setting and manual interpretation of weather heatmaps with Geographic Information Systems (GIS), which can be slow and error-prone. Our research redefines Extreme Weather Events Detection (EWED) by framing it as a Visual Question Answering (VQA) problem, thereby introducing a more precise and automated solution. Leveraging Vision-Language Models (VLM) to simultaneously process visual and textual data, we offer an effective aid to enhance the analysis process of weather heatmaps. Our initial assessment of general-purpose VLMs (e.g., GPT-4-Vision) on EWED revealed poor performance, characterized by low accuracy and frequent hallucinations due to inadequate color differentiation and insufficient meteorological knowledge. To address these challenges, we introduce ClimateIQA, the first meteorological VQA dataset, which includes 8,760 wind gust heatmaps and 254,040 question-answer pairs covering four question types, both generated from the latest climate reanalysis data. We also propose Sparse Position and Outline Tracking (SPOT), an innovative technique that leverages OpenCV and K-Means clustering to capture and depict color contours in heatmaps, providing ClimateIQA with more accurate color spatial location information. Finally, we present Climate-Zoo, the first meteorological VLM collection, which adapts VLMs to meteorological applications using the ClimateIQA dataset. Experiment results demonstrate that models from Climate-Zoo substantially outperform state-of-the-art general VLMs, achieving an accuracy increase from 0% to over 90% in EWED verification. The datasets and models in this study are publicly available for future climate science research: https://github.com/AlexJJJChen/Climate-Zoo.

Detecting unknown objects in semantic segmentation is crucial for safety-critical applications such as autonomous driving. Large vision foundation models, including DINOv2, InternImage, and CLIP, have advanced visual representation learning by providing rich features that generalize well across diverse tasks. While their strength in closed-set semantic tasks is established, their capability to detect out-of-distribution (OoD) regions in semantic segmentation remains underexplored. In this work, we investigate whether foundation models fine-tuned on segmentation datasets can inherently distinguish in-distribution (ID) from OoD regions without any outlier supervision. We propose a simple, training-free approach that utilizes features from the InternImage backbone and applies K-Means clustering alongside confidence thresholding on raw decoder logits to identify OoD clusters. Our method achieves 50.02 Average Precision on the RoadAnomaly benchmark and 48.77 on the benchmark of ADE-OoD with InternImage-L, surpassing several supervised and unsupervised baselines. These results suggest a promising direction for generic OoD segmentation methods that require minimal assumptions or additional data.

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.

Modern machine learning models are expensive to train, and there is a growing concern about the challenge of retroactively removing specific training data. Achieving exact unlearning in deep learning pipelines--producing models as if certain data had never been included in training--remains an open problem. In this paper, we revisit exact unlearning in deep learning and show that for large language models (LLMs) we can efficiently exactly unlearn "fine-tuning data" (the data used to adapt a pre-trained model). This follows from two observations. First, we can use in-context learning to adapt the LLM to the fine-tuning dataset instead of SGD based algorithms. Second, we show that accurate in-context learning can be done with quantized k-means, which allows for effectively constant time unlearning operations. Our evaluation shows that this unlearning recipe has similar performance to fine-tuning alternatives, but vastly reduces the unlearning costs. Our study also highlights the need for new measures of unlearning cost when adapting the learning algorithm to have faster unlearn operations.

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.

Generative modeling of complex behaviors from labeled datasets has been a longstanding problem in decision making. Unlike language or image generation, decision making requires modeling actions - continuous-valued vectors that are multimodal in their distribution, potentially drawn from uncurated sources, where generation errors can compound in sequential prediction. A recent class of models called Behavior Transformers (BeT) addresses this by discretizing actions using k-means clustering to capture different modes. However, k-means struggles to scale for high-dimensional action spaces or long sequences, and lacks gradient information, and thus BeT suffers in modeling long-range actions. In this work, we present Vector-Quantized Behavior Transformer (VQ-BeT), a versatile model for behavior generation that handles multimodal action prediction, conditional generation, and partial observations. VQ-BeT augments BeT by tokenizing continuous actions with a hierarchical vector quantization module. Across seven environments including simulated manipulation, autonomous driving, and robotics, VQ-BeT improves on state-of-the-art models such as BeT and Diffusion Policies. Importantly, we demonstrate VQ-BeT's improved ability to capture behavior modes while accelerating inference speed 5x over Diffusion Policies. Videos and code can be found https://sjlee.cc/vq-bet

International trade policies have recently garnered attention for limiting cross-border exchange of essential goods (e.g. steel, aluminum, soybeans, and beef). Since trade critically affects employment and wages, predicting future patterns of trade is a high-priority for policy makers around the world. While traditional economic models aim to be reliable predictors, we consider the possibility that Machine Learning (ML) techniques allow for better predictions to inform policy decisions. Open-government data provide the fuel to power the algorithms that can explain and forecast trade flows to inform policies. Data collected in this article describe international trade transactions and commonly associated economic factors. Machine learning (ML) models deployed include: ARIMA, GBoosting, XGBoosting, and LightGBM for predicting future trade patterns, and K-Means clustering of countries according to economic factors. Unlike short-term and subjective (straight-line) projections and medium-term (aggre-gated) projections, ML methods provide a range of data-driven and interpretable projections for individual commodities. Models, their results, and policies are introduced and evaluated for prediction quality.

As Large Language Models (LLMs) become integral software components in modern applications, unauthorized model derivations through fine-tuning, merging, and redistribution have emerged as critical software engineering challenges. Unlike traditional software where clone detection and license compliance are well-established, the LLM ecosystem lacks effective mechanisms to detect model lineage and enforce licensing agreements. This gap is particularly problematic when open-source model creators, such as Meta's LLaMA, require derivative works to maintain naming conventions for attribution, yet no technical means exist to verify compliance. To fill this gap, treating LLMs as software artifacts requiring provenance tracking, we present TensorGuard, a gradient-based fingerprinting framework for LLM similarity detection and family classification. Our approach extracts model-intrinsic behavioral signatures by analyzing gradient responses to random input perturbations across tensor layers, operating independently of training data, watermarks, or specific model formats. TensorGuard supports the widely-adopted safetensors format and constructs high-dimensional fingerprints through statistical analysis of gradient features. These fingerprints enable two complementary capabilities: direct pairwise similarity assessment between arbitrary models through distance computation, and systematic family classification of unknown models via the K-Means clustering algorithm with domain-informed centroid initialization using known base models. Experimental evaluation on 58 models comprising 8 base models and 50 derivatives across five model families (Llama, Qwen, Gemma, Phi, Mistral) demonstrates 94% classification accuracy under our centroid-initialized K-Means clustering.

Sparse Mixture-of-Experts (SMoE) models enable scaling language models efficiently, but training them remains challenging, as routing can collapse onto few experts and auxiliary load-balancing losses can reduce specialization. Motivated by these hurdles, we study how routing decisions in SMoEs are formed mechanistically. First, we reveal a geometric coupling between routers and their corresponding experts. For a given token, the router weights for the selected expert and the expert weights processing it receive gradients along the same input direction, differing only in scalar coefficients. Thus, matched router--expert directions accumulate the same routed token history. This theoretical coupling also appears empirically in routing dynamics. In a 1B SMoE trained from scratch, higher router scores predict stronger expert neuron activations, showing that routing decisions are mirrored inside the selected expert. Next, we analyze the effects of auxiliary load balancing on the router--expert geometric coupling, showing that such losses break this structure by spreading input-directed gradients across router weights, making distinct router directions nearly three times more similar to each other. Last, we demonstrate the centrality of geometric coupling for effective routing with a parameter-free online K-Means router, in which each expert maintains a running average of the hidden states routed to it and tokens are assigned based on cosine similarity. Compared with auxiliary-loss and loss-free balancing, this router achieves the lowest load imbalance with only a modest perplexity increase, indicating that geometric coupling captures a substantial part of what the router learns. Overall, our results explain how routers form assignment geometry that supports an effective division of labor.

Large Language Models (LLMs) exhibit impressive performance across various tasks, but deploying them for inference poses challenges. Their high resource demands often necessitate complex, costly multi-GPU pipelines, or the use of smaller, less capable models. While quantization offers a promising solution utilizing lower precision for model storage, existing methods frequently experience significant performance drops at lower precision levels. Additionally, they typically provide only a limited set of solutions at specific bit levels, many of which are extensively manually tuned. To address these challenges, we propose a new method called SKIM: Scaled K-means clustering wIth Mixed precision. Our approach introduces two novel techniques: 1. A greedy algorithm to solve approximately optimal bit allocation across weight channels, and 2. A trainable scaling vector for non-differentiable K-means clustering. These techniques substantially improve performance and can be adapted to any given bit. Notably, in terms of model perplexity, our method narrows the gap between 3-bit quantized LLaMA models and their full precision counterparts by 16.3% on average.

Traditional cooking recipes follow a structure which can be modelled very well if the rules and semantics of the different sections of the recipe text are analyzed and represented accurately. We propose a structure that can accurately represent the recipe as well as a pipeline to infer the best representation of the recipe in this uniform structure. The Ingredients section in a recipe typically lists down the ingredients required and corresponding attributes such as quantity, temperature, and processing state. This can be modelled by defining these attributes and their values. The physical entities which make up a recipe can be broadly classified into utensils, ingredients and their combinations that are related by cooking techniques. The instruction section lists down a series of events in which a cooking technique or process is applied upon these utensils and ingredients. We model these relationships in the form of tuples. Thus, using a combination of these methods we model cooking recipe in the dataset RecipeDB to show the efficacy of our method. This mined information model can have several applications which include translating recipes between languages, determining similarity between recipes, generation of novel recipes and estimation of the nutritional profile of recipes. For the purpose of recognition of ingredient attributes, we train the Named Entity Relationship (NER) models and analyze the inferences with the help of K-Means clustering. Our model presented with an F1 score of 0.95 across all datasets. We use a similar NER tagging model for labelling cooking techniques (F1 score = 0.88) and utensils (F1 score = 0.90) within the instructions section. Finally, we determine the temporal sequence of relationships between ingredients, utensils and cooking techniques for modeling the instruction steps.

Federated Learning (FL) enables multiple parties to collaboratively train machine learning models without sharing raw data. However, before training, data must be preprocessed to address missing values, inconsistent formats, and heterogeneous feature scales. This preprocessing stage is critical for model performance but is largely overlooked in FL research. In practical FL systems, privacy constraints prohibit centralizing raw data, while communication efficiency introduces further challenges for distributed preprocessing. We introduce FedPS, a unified framework for federated data preprocessing based on aggregated statistics. FedPS leverages data-sketching techniques to efficiently summarize local datasets while preserving essential statistical information. Building on these summaries, we design federated algorithms for feature scaling, encoding, discretization, and missing-value imputation, and extend preprocessing-related models such as k-Means, k-Nearest Neighbors, and Bayesian Linear Regression to both horizontal and vertical FL settings. FedPS provides flexible, communication-efficient, and consistent preprocessing pipelines for practical FL deployments.

Code review is one of the primary means of assuring the quality of released software along with testing and static analysis. However, code review requires experienced developers who may not always have the time to perform an in-depth review of code. Thus, automating code review can help alleviate the cognitive burden on experienced software developers allowing them to focus on their primary activities of writing code to add new features and fix bugs. In this paper, we describe our experience in using Large Language Models towards automating the code review process in Ericsson. We describe the development of a lightweight tool using LLMs and static program analysis. We then describe our preliminary experiments with experienced developers in evaluating our code review tool and the encouraging results.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

The utilization of programming language (PL) models, pre-trained on large-scale code corpora, as a means of automating software engineering processes has demonstrated considerable potential in streamlining various code generation tasks such as code completion, code translation, and program synthesis. However, current approaches mainly rely on supervised fine-tuning objectives borrowed from text generation, neglecting unique sequence-level characteristics of code, including but not limited to compilability as well as syntactic and functional correctness. To address this limitation, we propose PPOCoder, a new framework for code generation that synergistically combines pre-trained PL models with Proximal Policy Optimization (PPO) which is a widely used deep reinforcement learning technique. By utilizing non-differentiable feedback from code execution and structure alignment, PPOCoder seamlessly integrates external code-specific knowledge into the model optimization process. It's important to note that PPOCoder is a task-agnostic and model-agnostic framework that can be used across different code generation tasks and PLs. Extensive experiments on three code generation tasks demonstrate the effectiveness of our proposed approach compared to SOTA methods, achieving significant improvements in compilation success rates and functional correctness across different PLs.

The ecological validity of soundscape studies usually rests on a choice of soundscapes that are representative of the perceptual space under investigation. For example, a soundscape pleasantness study might investigate locations with soundscapes ranging from "pleasant" to "annoying". The choice of soundscapes is typically researcher-led, but a participant-led process can reduce selection bias and improve result reliability. Hence, we propose a robust participant-led method to pinpoint characteristic soundscapes possessing arbitrary perceptual attributes. We validate our method by identifying Singaporean soundscapes spanning the perceptual quadrants generated from the "Pleasantness" and "Eventfulness" axes of the ISO 12913-2 circumplex model of soundscape perception, as perceived by local experts. From memory and experience, 67 participants first selected locations corresponding to each perceptual quadrant in each major planning region of Singapore. We then performed weighted k-means clustering on the selected locations, with weights for each location derived from previous frequencies and durations spent in each location by each participant. Weights hence acted as proxies for participant confidence. In total, 62 locations were thereby identified as suitable locations with characteristic soundscapes for further research utilizing the ISO 12913-2 perceptual quadrants. Audio-visual recordings and acoustic characterization of the soundscapes will be made in a future study.

Masked Image Modeling (MIM) is a new self-supervised vision pre-training paradigm using Vision Transformer (ViT). Previous works can be pixel-based or token-based, using original pixels or discrete visual tokens from parametric tokenizer models, respectively. Our proposed approach, CCViT, leverages k-means clustering to obtain centroids for image modeling without supervised training of tokenizer model. The centroids represent patch pixels and index tokens and have the property of local invariance. Non-parametric centroid tokenizer only takes seconds to create and is faster for token inference. Specifically, we adopt patch masking and centroid replacement strategies to construct corrupted inputs, and two stacked encoder blocks to predict corrupted patch tokens and reconstruct original patch pixels. Experiments show that the ViT-B model with only 300 epochs achieves 84.3\% top-1 accuracy on ImageNet-1K classification and 51.6\% on ADE20K semantic segmentation. Our approach achieves competitive results with BEiTv2 without distillation training from other models and outperforms other methods such as MAE.

The integration of pre-trained text-based large language models (LLM) with speech input has enabled instruction-following capabilities for diverse speech tasks. This integration requires the use of a speech encoder, a speech adapter, and an LLM, trained on diverse tasks. We propose the use of discrete speech units (DSU), rather than continuous-valued speech encoder outputs, that are converted to the LLM token embedding space using the speech adapter. We generate DSU using a self-supervised speech encoder followed by k-means clustering. The proposed model shows robust performance on speech inputs from seen/unseen domains and instruction-following capability in spoken question answering. We also explore various types of DSU extracted from different layers of the self-supervised speech encoder, as well as Mel frequency Cepstral Coefficients (MFCC). Our findings suggest that the ASR task and datasets are not crucial in instruction-tuning for spoken question answering tasks.

Model performance evaluation is a critical and expensive task in machine learning and computer vision. Without clear guidelines, practitioners often estimate model accuracy using a one-time completely random selection of the data. However, by employing tailored sampling and estimation strategies, one can obtain more precise estimates and reduce annotation costs. In this paper, we propose a statistical framework for model evaluation that includes stratification, sampling, and estimation components. We examine the statistical properties of each component and evaluate their efficiency (precision). One key result of our work is that stratification via k-means clustering based on accurate predictions of model performance yields efficient estimators. Our experiments on computer vision datasets show that this method consistently provides more precise accuracy estimates than the traditional simple random sampling, even with substantial efficiency gains of 10x. We also find that model-assisted estimators, which leverage predictions of model accuracy on the unlabeled portion of the dataset, are generally more efficient than the traditional estimates based solely on the labeled data.

Malicious intent in smart contract development can lead to substantial economic losses. SmartIntentNN is a deep learning model specifically designed to identify unsafe intents in smart contracts. This model integrates the Universal Sentence Encoder, a K-means clustering-based intent highlighting mechanism, and a Bidirectional Long Short-Term Memory network for multi-label classification, achieving an F1 of 0.8633 in distinguishing ten different intent categories. In this study, we present an upgraded version of this model, SmartIntentNN2 (Smart Contract Intent Neural Network V2). A significant enhancement in V2 is the incorporation of a BERT-based pre-trained language model, which has been trained on a dataset of 16,000 real smart contracts using a Masked Language Modeling objective. SmartIntentNN2 retains the BiLSTM-based multi-label classification network. With an improved F1 of 0.927, V2 demonstrates enhanced performance compared to its predecessor, establishing itself as the state-of-the-art model for smart contract intent detection.

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.

Self-supervised speech models have achieved remarkable success on content-driven tasks, yet they remain limited in capturing speaker-discriminative features critical for verification, diarization, and profiling applications. We introduce DELULU, a speaker-aware self-supervised foundational model that addresses this limitation by integrating external supervision into the pseudo-label generation process. DELULU leverages frame-level embeddings from ReDimNet, a state-of-the-art speaker verification model, to guide the k-means clustering step during pre-training, introducing a strong speaker-discriminative inductive bias that aligns representation learning with speaker identity. The model is trained using a dual objective that combines masked prediction and denoising, further enhancing robustness and generalization. DELULU significantly outperforms prior self-supervised learning (SSL) models across a range of speaker-centric tasks, achieving up to 62% relative improvement in equal error rate (EER) for speaker verification and consistent gains on zero-shot profiling tasks such as gender, age, accent, and speaker counting. Our findings demonstrate that DELULU is a strong universal encoder for speaker-aware speech processing, enabling superior performance even without task-specific fine-tuning.

In the conventional cellular system, devices are not allowed to communicate directly with each other in the licensed cellular bandwidth and all communications take place through the base stations. The users requirements has led the technology to become fast and faster. Multimedia rich data exchange, fast service, high quality voice calls, newer and more demanding applications, information at fingertips, everything requires technology and communication between devices. A constant need to increase network capacity for meeting the users growing demands has led to the growth of cellular communication networks from the first generation(1G) to the fifth generation(5G). There will be crores of connected devices in the coming future . A large number of connections are going to be heterogeneous, demanding lesser delays, higher data rates, superior throughput and enhanced system capacity. The available spectrum resources are limited and has to be flexibly used by mobile network operators to cope with the rising demands. An emerging facilitator of the upcoming high data rate demanding next-generation networks are device-to-device(D2D) communication. This paper has developed a model that establishes Device-to-Device (D2D) communication between two end-users without involving the eNB (evolved Node B). We have sharded the UEs and CUs based on the criteria of DISTANCE. To do so, we used the K-means clustering method.

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

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.

Deep convolutional neural networks (CNN) has become the most promising method for object recognition, repeatedly demonstrating record breaking results for image classification and object detection in recent years. However, a very deep CNN generally involves many layers with millions of parameters, making the storage of the network model to be extremely large. This prohibits the usage of deep CNNs on resource limited hardware, especially cell phones or other embedded devices. In this paper, we tackle this model storage issue by investigating information theoretical vector quantization methods for compressing the parameters of CNNs. In particular, we have found in terms of compressing the most storage demanding dense connected layers, vector quantization methods have a clear gain over existing matrix factorization methods. Simply applying k-means clustering to the weights or conducting product quantization can lead to a very good balance between model size and recognition accuracy. For the 1000-category classification task in the ImageNet challenge, we are able to achieve 16-24 times compression of the network with only 1% loss of classification accuracy using the state-of-the-art CNN.

Self-supervised approaches for speech representation learning are challenged by three unique problems: (1) there are multiple sound units in each input utterance, (2) there is no lexicon of input sound units during the pre-training phase, and (3) sound units have variable lengths with no explicit segmentation. To deal with these three problems, we propose the Hidden-Unit BERT (HuBERT) approach for self-supervised speech representation learning, which utilizes an offline clustering step to provide aligned target labels for a BERT-like prediction loss. A key ingredient of our approach is applying the prediction loss over the masked regions only, which forces the model to learn a combined acoustic and language model over the continuous inputs. HuBERT relies primarily on the consistency of the unsupervised clustering step rather than the intrinsic quality of the assigned cluster labels. Starting with a simple k-means teacher of 100 clusters, and using two iterations of clustering, the HuBERT model either matches or improves upon the state-of-the-art wav2vec 2.0 performance on the Librispeech (960h) and Libri-light (60,000h) benchmarks with 10min, 1h, 10h, 100h, and 960h fine-tuning subsets. Using a 1B parameter model, HuBERT shows up to 19% and 13% relative WER reduction on the more challenging dev-other and test-other evaluation subsets.

Large language models (LLMs) have recently shown strong potential for ranking by capturing semantic relevance and adapting across diverse domains, yet existing methods remain constrained by limited context length and high computational costs, restricting their applicability to real-world scenarios where candidate pools often scale to millions. To address this challenge, we propose LRanker, a framework tailored for large-candidate ranking. LRanker incorporates a candidate aggregation encoder that leverages K-means clustering to explicitly model global candidate information, and a graph-based test-time scaling mechanism that partitions candidates into subsets, generates multiple query embeddings, and integrates them through an ensemble procedure. By aggregating diverse embeddings instead of relying on a single representation, this mechanism enhances robustness and expressiveness, leading to more accurate ranking over massive candidate pools. We evaluate LRanker on seven tasks across three scenarios in RBench with different candidate scales. Experimental results show that LRanker achieves over 30% gains in the RBench-Small scenario, improves by 3-9% in MRR in the RBench-Large scenario, and sustains scalability with 20-30% improvements in the RBench-Ultra scenario with more than 6.8M candidates. Ablation studies further verify the effectiveness of its key components. Together, these findings demonstrate the robustness, scalability, and effectiveness of LRanker for massive-candidate ranking.

Multi-vector document retrieval systems, such as ColPali, excel in fine-grained matching for complex queries but incur significant storage and computational costs due to their reliance on high-dimensional patch embeddings and late-interaction scoring. To address these challenges, we propose HPC-ColPali, a Hierarchical Patch Compression framework that enhances the efficiency of ColPali while preserving its retrieval accuracy. Our approach integrates three innovative techniques: (1) K-Means quantization, which compresses patch embeddings into 1-byte centroid indices, achieving up to 32times storage reduction; (2) attention-guided dynamic pruning, utilizing Vision-Language Model attention weights to retain only the top-p% most salient patches, reducing late-interaction computation by up to 60\% with less than 2\% nDCG@10 loss; and (3) optional binary encoding of centroid indices into b-bit strings (b=lceillog_2 Krceil), enabling rapid Hamming distance-based similarity search for resource-constrained environments. Evaluated on the ViDoRe and SEC-Filings datasets, HPC-ColPali achieves 30--50\% lower query latency under HNSW indexing while maintaining high retrieval precision. When integrated into a Retrieval-Augmented Generation pipeline for legal summarization, it reduces hallucination rates by 30\% and halves end-to-end latency. These advancements establish HPC-ColPali as a scalable and efficient solution for multi-vector document retrieval across diverse applications. Code is available at https://github.com/DngBack/HPC-ColPali.

We present ManzaiSet, the first large scale multimodal dataset of viewer responses to Japanese manzai comedy, capturing facial videos and audio from 241 participants watching up to 10 professional performances in randomized order (94.6 percent watched >= 8; analyses focus on n=228). This addresses the Western centric bias in affective computing. Three key findings emerge: (1) k means clustering identified three distinct viewer types: High and Stable Appreciators (72.8 percent, n=166), Low and Variable Decliners (13.2 percent, n=30), and Variable Improvers (14.0 percent, n=32), with heterogeneity of variance (Brown Forsythe p < 0.001); (2) individual level analysis revealed a positive viewing order effect (mean slope = 0.488, t(227) = 5.42, p < 0.001, permutation p < 0.001), contradicting fatigue hypotheses; (3) automated humor classification (77 instances, 131 labels) plus viewer level response modeling found no type wise differences after FDR correction. The dataset enables culturally aware emotion AI development and personalized entertainment systems tailored to non Western contexts.

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.

Self-attention has recently been adopted for a wide range of sequence modeling problems. Despite its effectiveness, self-attention suffers from quadratic compute and memory requirements with respect to sequence length. Successful approaches to reduce this complexity focused on attending to local sliding windows or a small set of locations independent of content. Our work proposes to learn dynamic sparse attention patterns that avoid allocating computation and memory to attend to content unrelated to the query of interest. This work builds upon two lines of research: it combines the modeling flexibility of prior work on content-based sparse attention with the efficiency gains from approaches based on local, temporal sparse attention. Our model, the Routing Transformer, endows self-attention with a sparse routing module based on online k-means while reducing the overall complexity of attention to Oleft(n^{1.5}dright) from Oleft(n^2dright) for sequence length n and hidden dimension d. We show that our model outperforms comparable sparse attention models on language modeling on Wikitext-103 (15.8 vs 18.3 perplexity) as well as on image generation on ImageNet-64 (3.43 vs 3.44 bits/dim) while using fewer self-attention layers. Additionally, we set a new state-of-the-art on the newly released PG-19 data-set, obtaining a test perplexity of 33.2 with a 22 layer Routing Transformer model trained on sequences of length 8192.

Spectral clustering is a leading clustering method. Two of its major shortcomings are the disjoint optimization process and the limited representation capacity. To address these issues, we propose a deep spectral clustering model (named BootSC), which jointly learns all stages of spectral clustering -- affinity matrix construction, spectral embedding, and k-means clustering -- using a single network in an end-to-end manner. BootSC leverages effective and efficient optimal-transport-derived supervision to bootstrap the affinity matrix and the cluster assignment matrix. Moreover, a semantically-consistent orthogonal re-parameterization technique is introduced to orthogonalize spectral embeddings, significantly enhancing the discrimination capability. Experimental results indicate that BootSC achieves state-of-the-art clustering performance. For example, it accomplishes a notable 16\% NMI improvement over the runner-up method on the challenging ImageNet-Dogs dataset. Our code is available at https://github.com/spdj2271/BootSC.

We propose a dense image prediction out-of-distribution detection algorithm, called PixOOD, which does not require training on samples of anomalous data and is not designed for a specific application which avoids traditional training biases. In order to model the complex intra-class variability of the in-distribution data at the pixel level, we propose an online data condensation algorithm which is more robust than standard K-means and is easily trainable through SGD. We evaluate PixOOD on a wide range of problems. It achieved state-of-the-art results on four out of seven datasets, while being competitive on the rest. The source code is available at https://github.com/vojirt/PixOOD.

We present TopClustRAG, a retrieval-augmented generation (RAG) system developed for the LiveRAG Challenge, which evaluates end-to-end question answering over large-scale web corpora. Our system employs a hybrid retrieval strategy combining sparse and dense indices, followed by K-Means clustering to group semantically similar passages. Representative passages from each cluster are used to construct cluster-specific prompts for a large language model (LLM), generating intermediate answers that are filtered, reranked, and finally synthesized into a single, comprehensive response. This multi-stage pipeline enhances answer diversity, relevance, and faithfulness to retrieved evidence. Evaluated on the FineWeb Sample-10BT dataset, TopClustRAG ranked 2nd in faithfulness and 7th in correctness on the official leaderboard, demonstrating the effectiveness of clustering-based context filtering and prompt aggregation in large-scale RAG systems.

This study examines the relationship between income inequality, gender, and school completion rates in Malaysia using machine learning techniques. The dataset utilized is from the Malaysia's Public Sector Open Data Portal, covering the period 2016-2022. The analysis employs various machine learning techniques, including K-means clustering, ARIMA modeling, Random Forest regression, and Prophet for time series forecasting. These models are used to identify patterns, trends, and anomalies in the data, and to predict future school completion rates. Key findings reveal significant disparities in school completion rates across states, genders, and income levels. The analysis also identifies clusters of states with similar completion rates, suggesting potential regional factors influencing educational outcomes. Furthermore, time series forecasting models accurately predict future completion rates, highlighting the importance of ongoing monitoring and intervention strategies. The study concludes with recommendations for policymakers and educators to address the observed disparities and improve school completion rates in Malaysia. These recommendations include targeted interventions for specific states and demographic groups, investment in early childhood education, and addressing the impact of income inequality on educational opportunities. The findings of this study contribute to the understanding of the factors influencing school completion in Malaysia and provide valuable insights for policymakers and educators to develop effective strategies to improve educational outcomes.

Large language models (LLMs) have significantly advanced audio processing through audio codecs that convert audio into discrete tokens, enabling the application of language modelling techniques to audio data. However, traditional codecs often operate at high bitrates or within narrow domains such as speech and lack the semantic clues required for efficient language modelling. Addressing these challenges, we introduce SemantiCodec, a novel codec designed to compress audio into fewer than a hundred tokens per second across diverse audio types, including speech, general audio, and music, without compromising quality. SemantiCodec features a dual-encoder architecture: a semantic encoder using a self-supervised AudioMAE, discretized using k-means clustering on extensive audio data, and an acoustic encoder to capture the remaining details. The semantic and acoustic encoder outputs are used to reconstruct audio via a diffusion-model-based decoder. SemantiCodec is presented in three variants with token rates of 25, 50, and 100 per second, supporting a range of ultra-low bit rates between 0.31 kbps and 1.43 kbps. Experimental results demonstrate that SemantiCodec significantly outperforms the state-of-the-art Descript codec on reconstruction quality. Our results also suggest that SemantiCodec contains significantly richer semantic information than all evaluated audio codecs, even at significantly lower bitrates. Our code and demos are available at https://haoheliu.github.io/SemantiCodec/.

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.

The demand for better prediction accuracy and higher execution performance in neural networks continues to grow. The emergence and success of Large Language Models (LLMs) have produced many cloud-based tools for software engineering tasks such as code suggestion. Although effective, cloud deployment raises concerns over privacy, latency, and reliance on network connectivity. Running LLMs locally on personal devices such as laptops would address these issues, because it enables offline use and reduces response time. However, local deployment is challenging, since commodity devices lack high-performance accelerators such as GPUs and are constrained by limited memory and compute capacity, which makes it hard to execute large models efficiently. We present Ditto, a framework that optimizes both the model size of Code LLMs and the inference programs that execute them. Our approach integrates two components. The first is a quantization technique inspired by product quantization, which groups model parameters into per-block codebooks via K-Means clustering and stores each weight as a bit-packed low-bitwidth index. The second component is a compilation pass integrated into LLVM that automatically detects and replaces unoptimized General Matrix-Vector Multiplication (GEMV) operations, with calls into Basic Linear Algebra Subprograms (BLAS) libraries that are highly optimized for the target hardware. The output of Ditto is a compiled executable that runs the selected Code LLM on commodity hardware. We evaluate Ditto on three popular Code LLMs, namely Code Llama, MagicCoder, and OpenCodeInterpreter, achieving up to 10.5times faster inference, 6.4times lower memory usage, and 10.5times lower energy consumption compared with their original inference pipelines, while preserving accuracy close to the full-precision models, with an average loss of only 0.27% in pass@1.

Recently, peoples awareness of online purchases has significantly risen. This has given rise to online retail platforms and the need for a better understanding of customer purchasing behaviour. Retail companies are pressed with the need to deal with a high volume of customer purchases, which requires sophisticated approaches to perform more accurate and efficient customer segmentation. Customer segmentation is a marketing analytical tool that aids customer-centric service and thus enhances profitability. In this paper, we aim to develop a customer segmentation model to improve decision-making processes in the retail market industry. To achieve this, we employed a UK-based online retail dataset obtained from the UCI machine learning repository. The retail dataset consists of 541,909 customer records and eight features. Our study adopted the RFM (recency, frequency, and monetary) framework to quantify customer values. Thereafter, we compared several state-of-the-art (SOTA) clustering algorithms, namely, K-means clustering, the Gaussian mixture model (GMM), density-based spatial clustering of applications with noise (DBSCAN), agglomerative clustering, and balanced iterative reducing and clustering using hierarchies (BIRCH). The results showed the GMM outperformed other approaches, with a Silhouette Score of 0.80.

Machine Learning has been steadily gaining traction for its use in Anomaly-based Network Intrusion Detection Systems (A-NIDS). Research into this domain is frequently performed using the KDD~CUP~99 dataset as a benchmark. Several studies question its usability while constructing a contemporary NIDS, due to the skewed response distribution, non-stationarity, and failure to incorporate modern attacks. In this paper, we compare the performance for KDD-99 alternatives when trained using classification models commonly found in literature: Neural Network, Support Vector Machine, Decision Tree, Random Forest, Naive Bayes and K-Means. Applying the SMOTE oversampling technique and random undersampling, we create a balanced version of NSL-KDD and prove that skewed target classes in KDD-99 and NSL-KDD hamper the efficacy of classifiers on minority classes (U2R and R2L), leading to possible security risks. We explore UNSW-NB15, a modern substitute to KDD-99 with greater uniformity of pattern distribution. We benchmark this dataset before and after SMOTE oversampling to observe the effect on minority performance. Our results indicate that classifiers trained on UNSW-NB15 match or better the Weighted F1-Score of those trained on NSL-KDD and KDD-99 in the binary case, thus advocating UNSW-NB15 as a modern substitute to these datasets.

This paper proposes a Question-Answering (QA) system for the telecom domain using 3rd Generation Partnership Project (3GPP) technical documents. Alongside, a hybrid dataset, Telco-DPR, which consists of a curated 3GPP corpus in a hybrid format, combining text and tables, is presented. Additionally, the dataset includes a set of synthetic question/answer pairs designed to evaluate the retrieval performance of QA systems on this type of data. The retrieval models, including the sparse model, Best Matching 25 (BM25), as well as dense models, such as Dense Passage Retriever (DPR) and Dense Hierarchical Retrieval (DHR), are evaluated and compared using top-K accuracy and Mean Reciprocal Rank (MRR). The results show that DHR, a retriever model utilising hierarchical passage selection through fine-tuning at both the document and passage levels, outperforms traditional methods in retrieving relevant technical information, achieving a Top-10 accuracy of 86.2%. Additionally, the Retriever-Augmented Generation (RAG) technique, used in the proposed QA system, is evaluated to demonstrate the benefits of using the hybrid dataset and the DHR. The proposed QA system, using the developed RAG model and the Generative Pretrained Transformer (GPT)-4, achieves a 14% improvement in answer accuracy, when compared to a previous benchmark on the same dataset.

Pulmonary Hypertension (PH) is a severe disease characterized by an elevated pulmonary artery pressure. The gold standard for PH diagnosis is measurement of mean Pulmonary Artery Pressure (mPAP) during an invasive Right Heart Catheterization. In this paper, we investigate noninvasive approach to PH detection utilizing Magnetic Resonance Imaging, Computer Models and Machine Learning. We show using the ablation study, that physics-informed feature engineering based on models of blood circulation increases the performance of Gradient Boosting Decision Trees-based algorithms for classification of PH and regression of values of mPAP. We compare results of regression (with thresholding of estimated mPAP) and classification and demonstrate that metrics achieved in both experiments are comparable. The predicted mPAP values are more informative to the physicians than the probability of PH returned by classification models. They provide the intuitive explanation of the outcome of the machine learning model (clinicians are accustomed to the mPAP metric, contrary to the PH probability).

Large language models are typically aligned with human preferences by optimizing reward models (RMs) fitted to human feedback. However, human preferences are multi-faceted, and it is increasingly common to derive reward from a composition of simpler reward models which each capture a different aspect of language quality. This itself presents a challenge, as it is difficult to appropriately weight these component RMs when combining them. Compounding this difficulty, because any RM is only a proxy for human evaluation, this process is vulnerable to overoptimization, wherein past a certain point, accumulating higher reward is associated with worse human ratings. In this paper, we perform, to our knowledge, the first study on overoptimization in composite RMs, showing that correlation between component RMs has a significant effect on the locations of these points. We then introduce an approach to solve this issue using constrained reinforcement learning as a means of preventing the agent from exceeding each RM's threshold of usefulness. Our method addresses the problem of weighting component RMs by learning dynamic weights, naturally expressed by Lagrange multipliers. As a result, each RM stays within the range at which it is an effective proxy, improving evaluation performance. Finally, we introduce an adaptive method using gradient-free optimization to identify and optimize towards these points during a single run.

Electronic health record foundation models are limited by institutionally siloed data and substantial performance degradation under cross-site transfer. We evaluated federated training of tokenized generative event models (GEMs) across 122,251 intensive care hospitalizations from three independent health systems harmonized to the Common Longitudinal ICU Data Format. Models were assessed on 12 post-24-hour clinical prediction tasks using within-site, cross-site, centralized, and federated training configurations. GEMs achieved the highest mean within-site and cross-site ROC-AUC and were substantially more transportable than conventional supervised models: their average cross-site penalties were 0.025 ROC-AUC and 0.027 PR-AUC, compared with 0.079 and 0.089 for LightGBM. Federated Learning (FedAvg and FedAvgM) approached the performance of centralized GEM training, with most gains obtained within 5-10 communication rounds. However, centralized multi-site training provided only modest improvements over complete local training. Multi-site models were most useful when local training data were limited, with their advantage narrowing as institutional data accumulated. These findings show that federated GEM training is technically feasible and preserves most centralized performance, but that the main open challenge is learning transportable representations to translate larger, but heterogeneous data from multiple health systems into a reliable target-site benefit.

Most clinical benchmarks evaluate language models (LMs) on diagnosis using complete case descriptions. In clinical practice, however, patients present information in different ways, and clinicians must obtain relevant history and determine which examinations are needed before reaching a diagnosis. Diagnostic accuracy alone therefore cannot establish whether an agent gathered essential information or conducted an appropriate clinical assessment. Furthermore, existing benchmarks lack professional clinicians' verification. To address this gap, we introduce KlinikeBench, a benchmark of 333 clinician-authored tasks, each providing an isolated sandbox environment with a virtual patient, clinical tools, and task-specific success criteria. More than 35 clinicians contributed to case authoring and benchmark evaluation. In an empirical study, clinicians gave simulated dialogues higher mean quality ratings than reference conversations, which is adapted from real conversation. In each task, an LM has a fixed budget of turns to communicate with the patient, ask about relevant history, request examinations, follow action constraints, and record a final diagnosis. We score these steps separately as well as together. Across 31 models and seven model families, the best-performing models (e.g., GPT-6-astra and Claude Opus 5) succeed on less than 30% of tasks, even though their diagnosis accuracy reaches 90.7%. Some models benefit from talking with the patient; others diagnose well from a complete chart but perform much worse in conversation. Overall, KlinikeBench provides a testbed for evaluating the full clinical encounter and reveals a substantial gap between diagnostic accuracy and performance in interactive clinical assessment.

Vision-language-action policies often see only one or a few recent frames, which makes it difficult to evaluate how they use information that disappears during a task. We introduce MIKASA-Robo-VLA, a benchmark of 90 language-conditioned manipulation tasks. All but 10 hide the cue an action depends on. Those 10 are reactive controls. MIKASA-Robo, the suite it rebuilds, has 32 tasks and uses language only in a representative VLA subset. Here every task provides an instruction, while memory-dependent tasks hide a task-relevant cue and reactive controls keep it available. For 70 tasks, environment phase timings specify an information gap, and for 28 of them the gap exceeds the 16-frame window of the widest fixed-context VLA we survey. The gap counts only the interval the cue is provably absent, not the full duration a policy must retain it, so every memory-dependent task still requires memory by construction, including the ones whose measured gap is short. We release 22,500 oracle trajectories across 10 memory types in RLDS and LeRobotDataset v3. A reference π_{0.5} baseline with current images and proprioception, but no observation history or explicit memory module, is fine-tuned on 14 tasks and achieves 0.211 pm 0.044 mean task success. Its lower success on the evaluated Long-split tasks is confounded by open-loop chunking and the memory types represented in that subset. Project page: https://mikasarobo.github.io/

Autoregressive large language models achieve strong results on many benchmarks, but decoding remains fundamentally latency-limited by sequential dependence on previously generated tokens. Diffusion language models (DLMs) promise parallel generation but suffer from a fundamental static-to-dynamic misalignment: Training optimizes local transitions under fixed schedules, whereas efficient inference requires adaptive "long-jump" refinements through unseen states. Our goal is to enable highly parallel decoding for DLMs with low number of function evaluations while preserving generation quality. To achieve this, we propose CD4LM, a framework that decouples training from inference via Discrete-Space Consistency Distillation (DSCD) and Confidence-Adaptive Decoding (CAD). Unlike standard objectives, DSCD trains a student to be trajectory-invariant, mapping diverse noisy states directly to the clean distribution. This intrinsic robustness enables CAD to dynamically allocate compute resources based on token confidence, aggressively skipping steps without the quality collapse typical of heuristic acceleration. On GSM8K, CD4LM matches the LLaDA baseline with a 5.18x wall-clock speedup; across code and math benchmarks, it strictly dominates the accuracy-efficiency Pareto frontier, achieving a 3.62x mean speedup while improving average accuracy. Code is available at https://github.com/yihao-liang/CDLM

Large language models (LLMs) are increasingly relied upon to support ambient documentation and clinical reasoning. Here we examine the impact of a failure mode shared between these two applications by assessing their sensitivity to information incidental to the patient encounter. In 576 patient-clinician dialogues, we found that frontier models inserted small-talk exchanges into 35% of notes, while mean quality scores changed by at most 0.20 points on five-point scales. In 3.7% of frontier notes, models misattributed the asides or used them clinically. In 57 mock recorded consultations, background speech from a separate patient encounter at -10 dB leaked into 48.2% of transcripts, with contamination detected in 5.3% of downstream notes generated by four open-weight models. We propose a dual encoding hypothesis of clinical reasoning and distraction in LLMs, with preliminary evidence that LLM components associated with disruption by incidental information also support clinical reasoning. These findings support evaluating resistance to incidental information before clinical use, with safeguards that prevent contamination while preserving clinical reasoning.

Every prediction from a generative medical event model is bounded by how clinical events are tokenized, yet input representation is rarely isolated from other system and architectural choices. We evaluate how representation decisions affect downstream prediction after a shared one-epoch pretraining budget. We train 28 matched transformers on MIMIC-IV and evaluate them on 30 clinical outcomes in three experiments: (1) quantization granularity, reference-range anchoring, and code-value fusion; (2) value encoding (hard bins, soft discretization, code-normalized xVal) crossed with temporal encoding (event order, time tokens, admission-relative RoPE); and (3) native MIMIC laboratory/vital codes versus the Common Longitudinal ICU Format (CLIF)-remapped laboratory/vital codes with compression-preserving perturbation arms. In Experiment 1, fused code-value tokenization improves mortality AUROC from 0.891 to 0.915 (BH-adjusted p < 0.001), hospital length-of-stay AUROC from 0.763 to 0.788 (BH-adjusted p < 0.001), and, for the decile fused-vs-unfused comparison, mean regression Spearman rho across the 13 regression outcomes from 0.414 to 0.494. Across the three temporal encodings, event order only and admission-relative RoPE match or exceed inserting time tokens on average while shortening sequences by 11%. CLIF remapping preserves downstream performance in our single-site setting while yielding a smaller, clinically interpretable token set compatible with multi-site use. Finer-than-decile quantization, reference-range anchoring, and soft discretization help in selective outcomes, while code-normalized xVal remains well below the discrete and soft families, consistent with near-median suppression that persists after the affine variant.

Despite the popularity of explainable AI, there is limited work on effective methods for unsupervised learning. We study algorithms for k-means clustering, focusing on a trade-off between explainability and accuracy. Following prior work, we use a small decision tree to partition a dataset into k clusters. This enables us to explain each cluster assignment by a short sequence of single-feature thresholds. While larger trees produce more accurate clusterings, they also require more complex explanations. To allow flexibility, we develop a new explainable k-means clustering algorithm, ExKMC, that takes an additional parameter k' geq k and outputs a decision tree with k' leaves. We use a new surrogate cost to efficiently expand the tree and to label the leaves with one of k clusters. We prove that as k' increases, the surrogate cost is non-increasing, and hence, we trade explainability for accuracy. Empirically, we validate that ExKMC produces a low cost clustering, outperforming both standard decision tree methods and other algorithms for explainable clustering. Implementation of ExKMC available at https://github.com/navefr/ExKMC.

With growing credit card transaction volumes, the fraud percentages are also rising, including overhead costs for institutions to combat and compensate victims. The use of machine learning into the financial sector permits more effective protection against fraud and other economic crime. Suitably trained machine learning classifiers help proactive fraud detection, improving stakeholder trust and robustness against illicit transactions. However, the design of machine learning based fraud detection algorithms has been challenging and slow due the massively unbalanced nature of fraud data and the challenges of identifying the frauds accurately and completely to create a gold standard ground truth. Furthermore, there are no benchmarks or standard classifier evaluation metrics to measure and identify better performing classifiers, thus keeping researchers in the dark. In this work, we develop a theoretical foundation to model human annotation errors and extreme imbalance typical in real world fraud detection data sets. By conducting empirical experiments on a hypothetical classifier, with a synthetic data distribution approximated to a popular real world credit card fraud data set, we simulate human annotation errors and extreme imbalance to observe the behavior of popular machine learning classifier evaluation matrices. We demonstrate that a combined F1 score and g-mean, in that specific order, is the best evaluation metric for typical imbalanced fraud detection model classification.

We derive cosmological constraints using a galaxy cluster sample selected from the 2500~deg^2 SPT-SZ survey. The sample spans the redshift range 0.25< z<1.75 and contains 343 clusters with SZ detection significance ξ>5. The sample is supplemented with optical weak gravitational lensing measurements of 32 clusters with 0.29<z<1.13 (from Magellan and HST) and X-ray measurements of 89 clusters with 0.25<z<1.75 (from Chandra). We rely on minimal modeling assumptions: i) weak lensing provides an accurate means of measuring halo masses, ii) the mean SZ and X-ray observables are related to the true halo mass through power-law relations in mass and dimensionless Hubble parameter E(z) with a-priori unknown parameters, iii) there is (correlated, lognormal) intrinsic scatter and measurement noise relating these observables to their mean relations. We simultaneously fit for these astrophysical modeling parameters and for cosmology. Assuming a flat νΛCDM model, in which the sum of neutrino masses is a free parameter, we measure Ω_m=0.276pm0.047, σ_8=0.781pm0.037, and σ_8(Ω_m/0.3)^{0.2}=0.766pm0.025. The redshift evolution of the X-ray Y_X-mass and M_gas-mass relations are both consistent with self-similar evolution to within 1σ. The mass-slope of the Y_X-mass relation shows a 2.3σ deviation from self-similarity. Similarly, the mass-slope of the M_gas-mass relation is steeper than self-similarity at the 2.5σ level. In a νwCDM cosmology, we measure the dark energy equation of state parameter w=-1.55pm0.41 from the cluster data. We perform a measurement of the growth of structure since redshift zsim1.7 and find no evidence for tension with the prediction from General Relativity. We provide updated redshift and mass estimates for the SPT sample. (abridged)

Modern text-to-speech (TTS) systems use deep learning to synthesize speech increasingly approaching human quality, but they require a database of high quality audio-text sentence pairs for training. Malayalam, the official language of the Indian state of Kerala and spoken by 35+ million people, is a low resource language in terms of available corpora for TTS systems. In this paper, we present IMaSC, a Malayalam text and speech corpora containing approximately 50 hours of recorded speech. With 8 speakers and a total of 34,473 text-audio pairs, IMaSC is larger than every other publicly available alternative. We evaluated the database by using it to train TTS models for each speaker based on a modern deep learning architecture. Via subjective evaluation, we show that our models perform significantly better in terms of naturalness compared to previous studies and publicly available models, with an average mean opinion score of 4.50, indicating that the synthesized speech is close to human quality.

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.

Sharp bounds on two potential-outcome means need not combine into sharp bounds on their difference. We characterize exactly when composition is guaranteed across environments sharing a joint potential-outcome law. For binary treatment and outcome, fix strict selection-probability bounds and interior treatment propensities. Subtracting the full model's sharp mean intervals gives sharp average-treatment-effect bounds for every compatible observed law if and only if the absolute selection bounds coincide across environments. Under this alignment, the complete mean region is rectangular; its endpoints and attaining causal models require O(K) arithmetic operations for K environments. For every mismatch, failure occurs on a relatively open set of positive observed tables at the prescribed propensities and persists under small joint drift. We give computable perturbation certificates and an exact family whose gap is first order in the mismatch. A separate finite-confounding family shows when the lost joint information changes an identified causal sign. These results distinguish local marginal sharpness from joint attainability after combining environments.

Purpose: This study investigated how nodule segmentation and surrounding peritumoral regions influence radionics-based lung cancer classification. Methods: Using 3D CT scans with bounding box annotated nodules, we generated 3D segmentations using four techniques: Otsu, Fuzzy C-Means (FCM), Gaussian Mixture Model (GMM), and K-Nearest Neighbors (KNN). Radiomics features were extracted using the PyRadiomics library, and multiple machine-learning-based classifiers, including Random Forest, Logistic Regression, and KNN, were employed to classify nodules as cancerous or non-cancerous. The best-performing segmentation and model were further analyzed by expanding the initial nodule segmentation into the peritumoral region (2, 4, 6, 8, 10, and 12 mm) to understand the influence of the surrounding area on classification. Additionally, we compared our results to deep learning-based feature extractors Foundation Model for Cancer Biomarkers (FMCB) and other state-of-the-art baseline models. Results: Incorporating peritumoral regions significantly enhanced performance, with the best result obtained at 8 mm expansion (AUC = 0.78). Compared to image-based deep learning models, such as FMCB (AUC = 0.71) and ResNet50-SWS++ (AUC = 0.71), our radiomics-based approach demonstrated superior classification accuracy. Conclusion: The study highlights the importance of peritumoral expansion in improving lung cancer classification using radiomics. These findings can inform the development of more robust AI-driven diagnostic tools.

The k-Means clustering problem on n points is NP-Hard for any dimension dge 2, however, for the 1D case there exists exact polynomial time algorithms. Previous literature reported an O(kn^2) time dynamic programming algorithm that uses O(kn) space. It turns out that the problem has been considered under a different name more than twenty years ago. We present all the existing work that had been overlooked and compare the various solutions theoretically. Moreover, we show how to reduce the space usage for some of them, as well as generalize them to data structures that can quickly report an optimal k-Means clustering for any k. Finally we also generalize all the algorithms to work for the absolute distance and to work for any Bregman Divergence. We complement our theoretical contributions by experiments that compare the practical performance of the various algorithms.

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.

Recently, deep clustering methods have gained momentum because of the high representational power of deep neural networks (DNNs) such as autoencoder. The key idea is that representation learning and clustering can reinforce each other: Good representations lead to good clustering while good clustering provides good supervisory signals to representation learning. Critical questions include: 1) How to optimize representation learning and clustering? 2) Should the reconstruction loss of autoencoder be considered always? In this paper, we propose DEKM (for Deep Embedded K-Means) to answer these two questions. Since the embedding space generated by autoencoder may have no obvious cluster structures, we propose to further transform the embedding space to a new space that reveals the cluster-structure information. This is achieved by an orthonormal transformation matrix, which contains the eigenvectors of the within-class scatter matrix of K-means. The eigenvalues indicate the importance of the eigenvectors' contributions to the cluster-structure information in the new space. Our goal is to increase the cluster-structure information. To this end, we discard the decoder and propose a greedy method to optimize the representation. Representation learning and clustering are alternately optimized by DEKM. Experimental results on the real-world datasets demonstrate that DEKM achieves state-of-the-art performance.

Lloyd's k-means algorithm is one of the most widely used clustering methods. We prove that in high-dimensional, high-noise settings, the algorithm exhibits catastrophic failure: with high probability, essentially every partition of the data is a fixed point. Consequently, Lloyd's algorithm simply returns its initial partition - even when the underlying clusters are trivially recoverable by other methods. In contrast, we prove that Hartigan's k-means algorithm does not exhibit this pathology. Our results show the stark difference between these algorithms and offer a theoretical explanation for the empirical difficulties often observed with k-means in high dimensions.

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.

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.

We study the problem of online clustering where a clustering algorithm has to assign a new point that arrives to one of k clusters. The specific formulation we use is the k-means objective: At each time step the algorithm has to maintain a set of k candidate centers and the loss incurred is the squared distance between the new point and the closest center. The goal is to minimize regret with respect to the best solution to the k-means objective (C) in hindsight. We show that provided the data lies in a bounded region, an implementation of the Multiplicative Weights Update Algorithm (MWUA) using a discretized grid achieves a regret bound of O(T) in expectation. We also present an online-to-offline reduction that shows that an efficient no-regret online algorithm (despite being allowed to choose a different set of candidate centres at each round) implies an offline efficient algorithm for the k-means problem. In light of this hardness, we consider the slightly weaker requirement of comparing regret with respect to (1 + ε) C and present a no-regret algorithm with runtime Oleft(T(poly(log(T),k,d,1/ε)^{k(d+O(1))}right). Our algorithm is based on maintaining an incremental coreset and an adaptive variant of the MWUA. We show that naïve online algorithms, such as Follow The Leader, fail to produce sublinear regret in the worst case. We also report preliminary experiments with synthetic and real-world data.

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.

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.

Kolmogorov-Arnold Networks (KANs) replace scalar weights with per-edge vectors of basis coefficients, thereby boosting expressivity and accuracy but at the same time resulting in a multiplicative increase in parameters and memory. We propose MetaCluster, a framework that makes KANs highly compressible without sacrificing accuracy. Specifically, a lightweight meta-learner, trained jointly with the KAN, is used to map low-dimensional embedding to coefficient vectors, shaping them to lie on a low-dimensional manifold that is amenable to clustering. We then run K-means in coefficient space and replace per-edge vectors with shared centroids. Afterwards, the meta-learner can be discarded, and a brief fine-tuning of the centroid codebook recovers any residual accuracy loss. The resulting model stores only a small codebook and per-edge indices, exploiting the vector nature of KAN parameters to amortize storage across multiple coefficients. On MNIST, CIFAR-10, and CIFAR-100, across standard KANs and ConvKANs using multiple basis functions, MetaCluster achieves a reduction of up to 80times in parameter storage, with no loss in accuracy. Code will be released upon publication.

Can pretrained models generalize to new datasets without any retraining? We deploy pretrained image models on datasets they were not trained for, and investigate whether their embeddings form meaningful clusters. Our suite of benchmarking experiments use encoders pretrained solely on ImageNet-1k with either supervised or self-supervised training techniques, deployed on image datasets that were not seen during training, and clustered with conventional clustering algorithms. This evaluation provides new insights into the embeddings of self-supervised models, which prioritize different features to supervised models. Supervised encoders typically offer more utility than SSL encoders within the training domain, and vice-versa far outside of it, however, fine-tuned encoders demonstrate the opposite trend. Clustering provides a way to evaluate the utility of self-supervised learned representations orthogonal to existing methods such as kNN. Additionally, we find the silhouette score when measured in a UMAP-reduced space is highly correlated with clustering performance, and can therefore be used as a proxy for clustering performance on data with no ground truth labels. Our code implementation is available at https://github.com/scottclowe/zs-ssl-clustering/.

In recent years, large scale data intensive astronomical surveys have resulted in more detailed images being produced than scientists can manually classify. Even attempts to crowd-source this work will soon be outpaced by the large amount of data generated by modern surveys. This has brought into question the viability of human-based methods for classifying galaxy morphology. While supervised learning methods require datasets with existing labels, unsupervised learning techniques do not. Therefore, this paper implements unsupervised learning techniques to classify the Galaxy Zoo DECaLS dataset. A convolutional autoencoder feature extractor was trained and implemented. The resulting features were then clustered via k-means, fuzzy c-means and agglomerative clustering. These clusters were compared against the true volunteer classifications provided by the Galaxy Zoo DECaLS project. The best results, in general, were produced by the agglomerate clustering method. However, the increase in performance compared to k-means clustering was not significant considering the increase in clustering time. After undergoing the appropriate clustering algorithm optimizations, this approach could prove useful for classifying the better performing questions and could serve as the basis for a novel approach to generating more "human-like" galaxy morphology classifications from unsupervised techniques.

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.

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

Knowledge graph embedding (KGE) is an increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.

Clustering using neural networks has recently demonstrated promising performance in machine learning and computer vision applications. However, the performance of current approaches is limited either by unsupervised learning or their dependence on large set of labeled data samples. In this paper, we propose ClusterNet that uses pairwise semantic constraints from very few labeled data samples (<5% of total data) and exploits the abundant unlabeled data to drive the clustering approach. We define a new loss function that uses pairwise semantic similarity between objects combined with constrained k-means clustering to efficiently utilize both labeled and unlabeled data in the same framework. The proposed network uses convolution autoencoder to learn a latent representation that groups data into k specified clusters, while also learning the cluster centers simultaneously. We evaluate and compare the performance of ClusterNet on several datasets and state of the art deep clustering approaches.

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.

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.

The mixture model is undoubtedly one of the greatest contributions to clustering. For continuous data, Gaussian models are often used and the Expectation-Maximization (EM) algorithm is particularly suitable for estimating parameters from which clustering is inferred. If these models are particularly popular in various domains including image clustering, they however suffer from the dimensionality and also from the slowness of convergence of the EM algorithm. However, the Classification EM (CEM) algorithm, a classifying version, offers a fast convergence solution while dimensionality reduction still remains a challenge. Thus we propose in this paper an algorithm combining simultaneously and non-sequentially the two tasks --Data embedding and Clustering-- relying on Principal Component Analysis (PCA) and CEM. We demonstrate the interest of such approach in terms of clustering and data embedding. We also establish different connections with other clustering approaches.

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.

k-means has historically been positioned primarily as an offline processing primitive, typically used for dataset organization or embedding preprocessing rather than as a first-class component in online systems. In this work, we revisit this classical algorithm under the lens of modern AI system design and enable k-means as an online primitive. We point out that existing GPU implementations of k-means remain fundamentally bottlenecked by low-level system constraints rather than theoretical algorithmic complexity. Specifically, the assignment stage suffers from a severe IO bottleneck due to the massive explicit materialization of the N times K distance matrix in High Bandwidth Memory (HBM). Simultaneously, the centroid update stage is heavily penalized by hardware-level atomic write contention caused by irregular, scatter-style token aggregations. To bridge this performance gap, we propose flash-kmeans, an IO-aware and contention-free k-means implementation for modern GPU workloads. Flash-kmeans introduces two core kernel-level innovations: (1) FlashAssign, which fuses distance computation with an online argmin to completely bypass intermediate memory materialization; (2) sort-inverse update, which explicitly constructs an inverse mapping to transform high-contention atomic scatters into high-bandwidth, segment-level localized reductions. Furthermore, we integrate algorithm-system co-designs, including chunked-stream overlap and cache-aware compile heuristics, to ensure practical deployability. Extensive evaluations on NVIDIA H200 GPUs demonstrate that flash-kmeans achieves up to 17.9times end-to-end speedup over best baselines, while outperforming industry-standard libraries like cuML and FAISS by 33times and over 200times, respectively.

We present Flash-GMM, a fused Triton kernel for efficient computation of Gaussian Mixture Models (GMMs) over large-scale data in a single GPU pass. By eliminating the need to materialize the full responsibility matrix in GPU memory, Flash-GMM achieves a 20times speedup over existing implementations and enables training on datasets more than 100times larger than previously feasible on one device. To demonstrate its impact, we integrate Flash-GMM into the IVF coarse quantizer for approximate nearest-neighbor (ANN) search. We show that soft GMM clustering is now a viable drop-in replacement for k-means, and that GMM responsibilities can be leveraged to assign border vectors to multiple clusters. Our approach reaches fixed recall targets with up to 1.7times fewer distance computations, or equivalently, yields +2--12 recall@10 at matched computational cost. We release the kernel as an open-source project.

The clustering problem, and more generally, latent factor discovery --or latent space inference-- is formulated in terms of the Wasserstein barycenter problem from optimal transport. The objective proposed is the maximization of the variability attributable to class, further characterized as the minimization of the variance of the Wasserstein barycenter. Existing theory, which constrains the transport maps to rigid translations, is extended to affine transformations. The resulting non-parametric clustering algorithms include k-means as a special case and exhibit more robust performance. A continuous version of these algorithms discovers continuous latent variables and generalizes principal curves. The strength of these algorithms is demonstrated by tests on both artificial and real-world data sets.

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

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 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.

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.

Forecasting on sparse multivariate time series (MTS) aims to model the predictors of future values of time series given their incomplete past, which is important for many emerging applications. However, most existing methods process MTS's individually, and do not leverage the dynamic distributions underlying the MTS's, leading to sub-optimal results when the sparsity is high. To address this challenge, we propose a novel generative model, which tracks the transition of latent clusters, instead of isolated feature representations, to achieve robust modeling. It is characterized by a newly designed dynamic Gaussian mixture distribution, which captures the dynamics of clustering structures, and is used for emitting timeseries. The generative model is parameterized by neural networks. A structured inference network is also designed for enabling inductive analysis. A gating mechanism is further introduced to dynamically tune the Gaussian mixture distributions. Extensive experimental results on a variety of real-life datasets demonstrate the effectiveness of our method.

Deep subspace clustering (DSC) networks based on self-expressive model learn representation matrix, often implemented in terms of fully connected network, in the embedded space. After the learning is finished, representation matrix is used by spectral clustering module to assign labels to clusters. However, such approach ignores complementary information that exist in other layers of the encoder (including the input data themselves). Herein, we apply selected linear subspace clustering algorithm to learn representation matrices from representations learned by all layers of encoder network including the input data. Afterward, we learn a multilayer graph that in a multi-view like manner integrates information from graph Laplacians of all used layers. That improves further performance of selected DSC network. Furthermore, we also provide formulation of our approach to cluster out-of-sample/test data points. We validate proposed approach on four well-known datasets with two DSC networks as baseline models. In almost all the cases, proposed approach achieved statistically significant improvement in three performance metrics. MATLAB code of proposed algorithm is posted on https://github.com/lovro-sinda/MLG-DSC.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

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.

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.

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.

Diffusion Models are popular generative modeling methods in various vision tasks, attracting significant attention. They can be considered a unique instance of self-supervised learning methods due to their independence from label annotation. This survey explores the interplay between diffusion models and representation learning. It provides an overview of diffusion models' essential aspects, including mathematical foundations, popular denoising network architectures, and guidance methods. Various approaches related to diffusion models and representation learning are detailed. These include frameworks that leverage representations learned from pre-trained diffusion models for subsequent recognition tasks and methods that utilize advancements in representation and self-supervised learning to enhance diffusion models. This survey aims to offer a comprehensive overview of the taxonomy between diffusion models and representation learning, identifying key areas of existing concerns and potential exploration. Github link: https://github.com/dongzhuoyao/Diffusion-Representation-Learning-Survey-Taxonomy

Graphs or networks are a very convenient way to represent data with lots of interaction. Recently, Machine Learning on Graph data has gained a lot of traction. In particular, vertex classification and missing edge detection have very interesting applications, ranging from drug discovery to recommender systems. To achieve such tasks, tremendous work has been accomplished to learn embedding of nodes and edges into finite-dimension vector spaces. This task is called Graph Representation Learning. However, Graph Representation Learning techniques often display prohibitive time and memory complexities, preventing their use in real-time with business size graphs. In this paper, we address this issue by leveraging a degeneracy property of Graphs - the K-Core Decomposition. We present two techniques taking advantage of this decomposition to reduce the time and memory consumption of walk-based Graph Representation Learning algorithms. We evaluate the performances, expressed in terms of quality of embedding and computational resources, of the proposed techniques on several academic datasets. Our code is available at https://github.com/SBrandeis/kcore-embedding

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.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

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.

Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

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.

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.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

Machine learning especially deep neural networks have achieved great success but many of them often rely on a number of labeled samples for supervision. As sufficient labeled training data are not always ready due to e.g., continuously emerging prediction targets and costly sample annotation in real world applications, machine learning with sample shortage is now being widely investigated. Among all these studies, many prefer to utilize auxiliary information including those in the form of Knowledge Graph (KG) to reduce the reliance on labeled samples. In this survey, we have comprehensively reviewed over 90 papers about KG-aware research for two major sample shortage settings -- zero-shot learning (ZSL) where some classes to be predicted have no labeled samples, and few-shot learning (FSL) where some classes to be predicted have only a small number of labeled samples that are available. We first introduce KGs used in ZSL and FSL as well as their construction methods, and then systematically categorize and summarize KG-aware ZSL and FSL methods, dividing them into different paradigms such as the mapping-based, the data augmentation, the propagation-based and the optimization-based. We next present different applications, including not only KG augmented prediction tasks such as image classification, question answering, text classification and knowledge extraction, but also KG completion tasks, and some typical evaluation resources for each task. We eventually discuss some challenges and open problems from different perspectives.

Multivector retrieval models achieve state-of-the-art effectiveness through fine-grained token-level representations, but their deployment incurs substantial computational and memory costs. Current solutions, based on the well-known k-means clustering algorithm, group similar vectors together to enable both effective compression and efficient retrieval. However, standard k-means scales poorly with the number of clusters and dataset size, and favours frequent tokens during training while underrepresenting rare, discriminative ones. In this work, we introduce TACHIOM, a multivector retrieval system that exploits token-level structure to significantly accelerate both clustering and retrieval. By accounting for tokens' distribution during centroid allocation, TACHIOM easily scales to millions of centroids, enabling highly accurate document scoring using only centroids, avoiding expensive token-level computation. TACHIOM combines a graph-based index over centroids with an optimized Product Quantization layout for efficient final scoring. Experiments on MS-MARCOv1 and LoTTE show that TACHIOM achieves up to 247times faster clustering than k-means and up to 9.8times retrieval speedup over state-of-the-art systems while maintaining comparable or superior effectiveness.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

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.

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.

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.

We study the new task of class-incremental Novel Class Discovery (class-iNCD), which refers to the problem of discovering novel categories in an unlabelled data set by leveraging a pre-trained model that has been trained on a labelled data set containing disjoint yet related categories. Apart from discovering novel classes, we also aim at preserving the ability of the model to recognize previously seen base categories. Inspired by rehearsal-based incremental learning methods, in this paper we propose a novel approach for class-iNCD which prevents forgetting of past information about the base classes by jointly exploiting base class feature prototypes and feature-level knowledge distillation. We also propose a self-training clustering strategy that simultaneously clusters novel categories and trains a joint classifier for both the base and novel classes. This makes our method able to operate in a class-incremental setting. Our experiments, conducted on three common benchmarks, demonstrate that our method significantly outperforms state-of-the-art approaches. Code is available at https://github.com/OatmealLiu/class-iNCD

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

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.

This paper proposes a neural rendering approach that represents a scene as "compressed light-field tokens (CLiFTs)", retaining rich appearance and geometric information of a scene. CLiFT enables compute-efficient rendering by compressed tokens, while being capable of changing the number of tokens to represent a scene or render a novel view with one trained network. Concretely, given a set of images, multi-view encoder tokenizes the images with the camera poses. Latent-space K-means selects a reduced set of rays as cluster centroids using the tokens. The multi-view ``condenser'' compresses the information of all the tokens into the centroid tokens to construct CLiFTs. At test time, given a target view and a compute budget (i.e., the number of CLiFTs), the system collects the specified number of nearby tokens and synthesizes a novel view using a compute-adaptive renderer. Extensive experiments on RealEstate10K and DL3DV datasets quantitatively and qualitatively validate our approach, achieving significant data reduction with comparable rendering quality and the highest overall rendering score, while providing trade-offs of data size, rendering quality, and rendering speed.

We propose a deep learning methodology for multivariate regression that is based on pattern recognition that triggers fast learning over sensor data. We used a conversion of sensors-to-image which enables us to take advantage of Computer Vision architectures and training processes. In addition to this data preparation methodology, we explore the use of state-of-the-art architectures to generate regression outputs to predict agricultural crop continuous yield information. Finally, we compare with some of the top models reported in MLCAS2021. We found that using a straightforward training process, we were able to accomplish an MAE of 4.394, RMSE of 5.945, and R^2 of 0.861.

Recently, it has been observed that when representations are learnt in a way that encourages sparsity, improved performance is obtained on classification tasks. These methods involve combinations of activation functions, sampling steps and different kinds of penalties. To investigate the effectiveness of sparsity by itself, we propose the k-sparse autoencoder, which is an autoencoder with linear activation function, where in hidden layers only the k highest activities are kept. When applied to the MNIST and NORB datasets, we find that this method achieves better classification results than denoising autoencoders, networks trained with dropout, and RBMs. k-sparse autoencoders are simple to train and the encoding stage is very fast, making them well-suited to large problem sizes, where conventional sparse coding algorithms cannot be applied.