Daily Papers

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

Self-supervised learning has transformed 2D computer vision by enabling models trained on large, unannotated datasets to provide versatile off-the-shelf features that perform similarly to models trained with labels. However, in 3D scene understanding, self-supervised methods are typically only used as a weight initialization step for task-specific fine-tuning, limiting their utility for general-purpose feature extraction. This paper addresses this shortcoming by proposing a robust evaluation protocol specifically designed to assess the quality of self-supervised features for 3D scene understanding. Our protocol uses multi-resolution feature sampling of hierarchical models to create rich point-level representations that capture the semantic capabilities of the model and, hence, are suitable for evaluation with linear probing and nearest-neighbor methods. Furthermore, we introduce the first self-supervised model that performs similarly to supervised models when only off-the-shelf features are used in a linear probing setup. In particular, our model is trained natively in 3D with a novel self-supervised approach based on a Masked Scene Modeling objective, which reconstructs deep features of masked patches in a bottom-up manner and is specifically tailored to hierarchical 3D models. Our experiments not only demonstrate that our method achieves competitive performance to supervised models, but also surpasses existing self-supervised approaches by a large margin. The model and training code can be found at our Github repository (https://github.com/phermosilla/msm).

Advances in embedding models for text, image, audio, and video drive progress across multiple domains, including retrieval-augmented generation, recommendation systems, vehicle/person reidentification, and face recognition. Many applications in these domains require an efficient method to retrieve items that are close to a given query in the embedding space while satisfying a filter condition based on the item's attributes, a problem known as Filtered Approximate Nearest Neighbor Search (FANNS). In this work, we present a comprehensive survey and taxonomy of FANNS methods and analyze how they are benchmarked in the literature. By doing so, we identify a key challenge in the current FANNS landscape: the lack of diverse and realistic datasets, particularly ones derived from the latest transformer-based text embedding models. To address this, we introduce a novel dataset consisting of embedding vectors for the abstracts of over 2.7 million research articles from the arXiv repository, accompanied by 11 real-world attributes such as authors and categories. We benchmark a wide range of FANNS methods on our novel dataset and find that each method has distinct strengths and limitations; no single approach performs best across all scenarios. ACORN, for example, supports various filter types and performs reliably across dataset scales but is often outperformed by more specialized methods. SeRF shows excellent performance for range filtering on ordered attributes but cannot handle categorical attributes. Filtered-DiskANN and UNG excel on the medium-scale dataset but fail on the large-scale dataset, highlighting the challenge posed by transformer-based embeddings, which are often more than an order of magnitude larger than earlier embeddings. We conclude that no universally best method exists.

The widespread enthusiasm for deep learning has recently expanded into the domain of tabular data. Recognizing that the advancement in deep tabular methods is often inspired by classical methods, e.g., integration of nearest neighbors into neural networks, we investigate whether these classical methods can be revitalized with modern techniques. We revisit a differentiable version of K-nearest neighbors (KNN) -- Neighbourhood Components Analysis (NCA) -- originally designed to learn a linear projection to capture semantic similarities between instances, and seek to gradually add modern deep learning techniques on top. Surprisingly, our implementation of NCA using SGD and without dimensionality reduction already achieves decent performance on tabular data, in contrast to the results of using existing toolboxes like scikit-learn. Further equipping NCA with deep representations and additional training stochasticity significantly enhances its capability, being on par with the leading tree-based method CatBoost and outperforming existing deep tabular models in both classification and regression tasks on 300 datasets. We conclude our paper by analyzing the factors behind these improvements, including loss functions, prediction strategies, and deep architectures. The code is available at https://github.com/qile2000/LAMDA-TALENT.

Non-parametric, k-nearest-neighbor algorithms have recently made inroads to assist generative models such as language models and machine translation decoders. We explore whether such non-parametric models can improve machine translation models at the fine-tuning stage by incorporating statistics from the kNN predictions to inform the gradient updates for a baseline translation model. There are multiple methods which could be used to incorporate kNN statistics and we investigate gradient scaling by a gating mechanism, the kNN's ground truth probability, and reinforcement learning. For four standard in-domain machine translation datasets, compared with classic fine-tuning, we report consistent improvements of all of the three methods by as much as 1.45 BLEU and 1.28 BLEU for German-English and English-German translations respectively. Through qualitative analysis, we found particular improvements when it comes to translating grammatical relations or function words, which results in increased fluency of our model.

Efficient k-nearest neighbor search is a fundamental task, foundational for many problems in NLP. When the similarity is measured by dot-product between dual-encoder vectors or ell_2-distance, there already exist many scalable and efficient search methods. But not so when similarity is measured by more accurate and expensive black-box neural similarity models, such as cross-encoders, which jointly encode the query and candidate neighbor. The cross-encoders' high computational cost typically limits their use to reranking candidates retrieved by a cheaper model, such as dual encoder or TF-IDF. However, the accuracy of such a two-stage approach is upper-bounded by the recall of the initial candidate set, and potentially requires additional training to align the auxiliary retrieval model with the cross-encoder model. In this paper, we present an approach that avoids the use of a dual-encoder for retrieval, relying solely on the cross-encoder. Retrieval is made efficient with CUR decomposition, a matrix decomposition approach that approximates all pairwise cross-encoder distances from a small subset of rows and columns of the distance matrix. Indexing items using our approach is computationally cheaper than training an auxiliary dual-encoder model through distillation. Empirically, for k > 10, our approach provides test-time recall-vs-computational cost trade-offs superior to the current widely-used methods that re-rank items retrieved using a dual-encoder or TF-IDF.

We present a simple few-shot named entity recognition (NER) system based on nearest neighbor learning and structured inference. Our system uses a supervised NER model trained on the source domain, as a feature extractor. Across several test domains, we show that a nearest neighbor classifier in this feature-space is far more effective than the standard meta-learning approaches. We further propose a cheap but effective method to capture the label dependencies between entity tags without expensive CRF training. We show that our method of combining structured decoding with nearest neighbor learning achieves state-of-the-art performance on standard few-shot NER evaluation tasks, improving F1 scores by 6% to 16% absolute points over prior meta-learning based systems.

Approximate nearest-neighbor search (ANNS) algorithms have become increasingly critical for recent AI applications, particularly in retrieval-augmented generation (RAG) and agent-based LLM applications. In this paper, we present CRINN, a new paradigm for ANNS algorithms. CRINN treats ANNS optimization as a reinforcement learning problem where execution speed serves as the reward signal. This approach enables the automatic generation of progressively faster ANNS implementations while maintaining accuracy constraints. Our experimental evaluation demonstrates CRINN's effectiveness across six widely-used NNS benchmark datasets. When compared against state-of-the-art open-source ANNS algorithms, CRINN achieves best performance on three of them (GIST-960-Euclidean, MNIST-784-Euclidean, and GloVe-25-angular), and tied for first place on two of them (SIFT-128-Euclidean and GloVe-25-angular). The implications of CRINN's success reach well beyond ANNS optimization: It validates that LLMs augmented with reinforcement learning can function as an effective tool for automating sophisticated algorithmic optimizations that demand specialized knowledge and labor-intensive manual refinement.Code can be found at https://github.com/deepreinforce-ai/CRINN

Learning scientific document representations can be substantially improved through contrastive learning objectives, where the challenge lies in creating positive and negative training samples that encode the desired similarity semantics. Prior work relies on discrete citation relations to generate contrast samples. However, discrete citations enforce a hard cut-off to similarity. This is counter-intuitive to similarity-based learning, and ignores that scientific papers can be very similar despite lacking a direct citation - a core problem of finding related research. Instead, we use controlled nearest neighbor sampling over citation graph embeddings for contrastive learning. This control allows us to learn continuous similarity, to sample hard-to-learn negatives and positives, and also to avoid collisions between negative and positive samples by controlling the sampling margin between them. The resulting method SciNCL outperforms the state-of-the-art on the SciDocs benchmark. Furthermore, we demonstrate that it can train (or tune) models sample-efficiently, and that it can be combined with recent training-efficient methods. Perhaps surprisingly, even training a general-domain language model this way outperforms baselines pretrained in-domain.

We introduce SPARTA, a novel neural retrieval method that shows great promise in performance, generalization, and interpretability for open-domain question answering. Unlike many neural ranking methods that use dense vector nearest neighbor search, SPARTA learns a sparse representation that can be efficiently implemented as an Inverted Index. The resulting representation enables scalable neural retrieval that does not require expensive approximate vector search and leads to better performance than its dense counterpart. We validated our approaches on 4 open-domain question answering (OpenQA) tasks and 11 retrieval question answering (ReQA) tasks. SPARTA achieves new state-of-the-art results across a variety of open-domain question answering tasks in both English and Chinese datasets, including open SQuAD, Natuarl Question, CMRC and etc. Analysis also confirms that the proposed method creates human interpretable representation and allows flexible control over the trade-off between performance and efficiency.

Data-driven optimization uses contextual information and machine learning algorithms to find solutions to decision problems with uncertain parameters. While a vast body of work is dedicated to interpreting machine learning models in the classification setting, explaining decision pipelines involving learning algorithms remains unaddressed. This lack of interpretability can block the adoption of data-driven solutions as practitioners may not understand or trust the recommended decisions. We bridge this gap by introducing a counterfactual explanation methodology tailored to explain solutions to data-driven problems. We introduce two classes of explanations and develop methods to find nearest explanations of random forest and nearest-neighbor predictors. We demonstrate our approach by explaining key problems in operations management such as inventory management and routing.

Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.

Healthcare is an important aspect of human life. Use of technologies in healthcare has increased manifolds after the pandemic. Internet of Things based systems and devices proposed in literature can help elders, children and adults facing/experiencing health problems. This paper exhaustively reviews thirty-nine wearable based datasets which can be used for evaluating the system to recognize Activities of Daily Living and Falls. A comparative analysis on the SisFall dataset using five machine learning methods i.e., Logistic Regression, Linear Discriminant Analysis, K-Nearest Neighbor, Decision Tree and Naive Bayes is performed in python. The dataset is modified in two ways, in first all the attributes present in dataset are used as it is and labelled in binary form. In second, magnitude of three axes(x,y,z) for three sensors value are computed and then used in experiment with label attribute. The experiments are performed on one subject, ten subjects and all the subjects and compared in terms of accuracy, precision and recall. The results obtained from this study proves that KNN outperforms other machine learning methods in terms of accuracy, precision and recall. It is also concluded that personalization of data improves accuracy.

Retrieval and ranking models are the backbone of many applications such as web search, open domain QA, or text-based recommender systems. The latency of neural ranking models at query time is largely dependent on the architecture and deliberate choices by their designers to trade-off effectiveness for higher efficiency. This focus on low query latency of a rising number of efficient ranking architectures make them feasible for production deployment. In machine learning an increasingly common approach to close the effectiveness gap of more efficient models is to apply knowledge distillation from a large teacher model to a smaller student model. We find that different ranking architectures tend to produce output scores in different magnitudes. Based on this finding, we propose a cross-architecture training procedure with a margin focused loss (Margin-MSE), that adapts knowledge distillation to the varying score output distributions of different BERT and non-BERT passage ranking architectures. We apply the teachable information as additional fine-grained labels to existing training triples of the MSMARCO-Passage collection. We evaluate our procedure of distilling knowledge from state-of-the-art concatenated BERT models to four different efficient architectures (TK, ColBERT, PreTT, and a BERT CLS dot product model). We show that across our evaluated architectures our Margin-MSE knowledge distillation significantly improves re-ranking effectiveness without compromising their efficiency. Additionally, we show our general distillation method to improve nearest neighbor based index retrieval with the BERT dot product model, offering competitive results with specialized and much more costly training methods. To benefit the community, we publish the teacher-score training files in a ready-to-use package.

We present Samanantar, the largest publicly available parallel corpora collection for Indic languages. The collection contains a total of 49.7 million sentence pairs between English and 11 Indic languages (from two language families). Specifically, we compile 12.4 million sentence pairs from existing, publicly-available parallel corpora, and additionally mine 37.4 million sentence pairs from the web, resulting in a 4x increase. We mine the parallel sentences from the web by combining many corpora, tools, and methods: (a) web-crawled monolingual corpora, (b) document OCR for extracting sentences from scanned documents, (c) multilingual representation models for aligning sentences, and (d) approximate nearest neighbor search for searching in a large collection of sentences. Human evaluation of samples from the newly mined corpora validate the high quality of the parallel sentences across 11 languages. Further, we extract 83.4 million sentence pairs between all 55 Indic language pairs from the English-centric parallel corpus using English as the pivot language. We trained multilingual NMT models spanning all these languages on Samanantar, which outperform existing models and baselines on publicly available benchmarks, such as FLORES, establishing the utility of Samanantar. Our data and models are available publicly at https://indicnlp.ai4bharat.org/samanantar/ and we hope they will help advance research in NMT and multilingual NLP for Indic languages.

In neural Information Retrieval (IR), ongoing research is directed towards improving the first retriever in ranking pipelines. Learning dense embeddings to conduct retrieval using efficient approximate nearest neighbors methods has proven to work well. Meanwhile, there has been a growing interest in learning sparse representations for documents and queries, that could inherit from the desirable properties of bag-of-words models such as the exact matching of terms and the efficiency of inverted indexes. Introduced recently, the SPLADE model provides highly sparse representations and competitive results with respect to state-of-the-art dense and sparse approaches. In this paper, we build on SPLADE and propose several significant improvements in terms of effectiveness and/or efficiency. More specifically, we modify the pooling mechanism, benchmark a model solely based on document expansion, and introduce models trained with distillation. We also report results on the BEIR benchmark. Overall, SPLADE is considerably improved with more than 9\% gains on NDCG@10 on TREC DL 2019, leading to state-of-the-art results on the BEIR benchmark.

In neural Information Retrieval, ongoing research is directed towards improving the first retriever in ranking pipelines. Learning dense embeddings to conduct retrieval using efficient approximate nearest neighbors methods has proven to work well. Meanwhile, there has been a growing interest in learning sparse representations for documents and queries, that could inherit from the desirable properties of bag-of-words models such as the exact matching of terms and the efficiency of inverted indexes. In this work, we present a new first-stage ranker based on explicit sparsity regularization and a log-saturation effect on term weights, leading to highly sparse representations and competitive results with respect to state-of-the-art dense and sparse methods. Our approach is simple, trained end-to-end in a single stage. We also explore the trade-off between effectiveness and efficiency, by controlling the contribution of the sparsity regularization.

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

Nearest neighbour based methods have proved to be one of the most successful self-supervised learning (SSL) approaches due to their high generalization capabilities. However, their computational efficiency decreases when more than one neighbour is used. In this paper, we propose a novel contrastive SSL approach, which we call All4One, that reduces the distance between neighbour representations using ''centroids'' created through a self-attention mechanism. We use a Centroid Contrasting objective along with single Neighbour Contrasting and Feature Contrasting objectives. Centroids help in learning contextual information from multiple neighbours whereas the neighbour contrast enables learning representations directly from the neighbours and the feature contrast allows learning representations unique to the features. This combination enables All4One to outperform popular instance discrimination approaches by more than 1% on linear classification evaluation for popular benchmark datasets and obtains state-of-the-art (SoTA) results. Finally, we show that All4One is robust towards embedding dimensionalities and augmentations, surpassing NNCLR and Barlow Twins by more than 5% on low dimensionality and weak augmentation settings. The source code would be made available soon.

3D head avatars built with neural implicit volumetric representations have achieved unprecedented levels of photorealism. However, the computational cost of these methods remains a significant barrier to their widespread adoption, particularly in real-time applications such as virtual reality and teleconferencing. While attempts have been made to develop fast neural rendering approaches for static scenes, these methods cannot be simply employed to support realistic facial expressions, such as in the case of a dynamic facial performance. To address these challenges, we propose a novel fast 3D neural implicit head avatar model that achieves real-time rendering while maintaining fine-grained controllability and high rendering quality. Our key idea lies in the introduction of local hash table blendshapes, which are learned and attached to the vertices of an underlying face parametric model. These per-vertex hash-tables are linearly merged with weights predicted via a CNN, resulting in expression dependent embeddings. Our novel representation enables efficient density and color predictions using a lightweight MLP, which is further accelerated by a hierarchical nearest neighbor search method. Extensive experiments show that our approach runs in real-time while achieving comparable rendering quality to state-of-the-arts and decent results on challenging expressions.

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

We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.

The pretrain-finetune paradigm has shown outstanding performance on many applications of deep learning, where a model is pre-trained on a upstream large dataset (e.g. ImageNet), and is then fine-tuned to different downstream tasks. Though for most cases, the pre-training stage is conducted based on supervised methods, recent works on self-supervised pre-training have shown powerful transferability and even outperform supervised pre-training on multiple downstream tasks. It thus remains an open question how to better generalize supervised pre-training model to downstream tasks. In this paper, we argue that the worse transferability of existing supervised pre-training methods arise from the negligence of valuable intra-class semantic difference. This is because these methods tend to push images from the same class close to each other despite of the large diversity in their visual contents, a problem to which referred as "overfit of upstream tasks". To alleviate this problem, we propose a new supervised pre-training method based on Leave-One-Out K-Nearest-Neighbor, or LOOK for short. It relieves the problem of overfitting upstream tasks by only requiring each image to share its class label with most of its k nearest neighbors, thus allowing each class to exhibit a multi-mode distribution and consequentially preserving part of intra-class difference for better transferring to downstream tasks. We developed efficient implementation of the proposed method that scales well to large datasets. Experimental studies on multiple downstream tasks show that LOOK outperforms other state-of-the-art methods for supervised and self-supervised pre-training.

The labor market is changing rapidly, prompting increased interest in the automatic extraction of occupational skills from text. With the advent of English benchmark job description datasets, there is a need for systems that handle their diversity well. We tackle the complexity in occupational skill datasets tasks -- combining and leveraging multiple datasets for skill extraction, to identify rarely observed skills within a dataset, and overcoming the scarcity of skills across datasets. In particular, we investigate the retrieval-augmentation of language models, employing an external datastore for retrieving similar skills in a dataset-unifying manner. Our proposed method, Nearest Neighbor Occupational Skill Extraction (NNOSE) effectively leverages multiple datasets by retrieving neighboring skills from other datasets in the datastore. This improves skill extraction without additional fine-tuning. Crucially, we observe a performance gain in predicting infrequent patterns, with substantial gains of up to 30\% span-F1 in cross-dataset settings.

Relation extraction (RE) has achieved remarkable progress with the help of pre-trained language models. However, existing RE models are usually incapable of handling two situations: implicit expressions and long-tail relation classes, caused by language complexity and data sparsity. Further, these approaches and models are largely inaccessible to users who don't have direct access to large language models (LLMs) and/or infrastructure for supervised training or fine-tuning. Rule-based systems also struggle with implicit expressions. Apart from this, Real world financial documents such as various 10-X reports (including 10-K, 10-Q, etc.) of publicly traded companies pose another challenge to rule-based systems in terms of longer and complex sentences. In this paper, we introduce a simple approach that consults training relations at test time through a nearest-neighbor search over dense vectors of lexico-syntactic patterns and provides a simple yet effective means to tackle the above issues. We evaluate our approach on REFinD and show that our method achieves state-of-the-art performance. We further show that it can provide a good start for human in the loop setup when a small number of annotations are available and it is also beneficial when domain experts can provide high quality patterns.

In this paper, we introduce a multi-label lazy learning approach to deal with automatic semantic indexing in large document collections in the presence of complex and structured label vocabularies with high inter-label correlation. The proposed method is an evolution of the traditional k-Nearest Neighbors algorithm which uses a large autoencoder trained to map the large label space to a reduced size latent space and to regenerate the predicted labels from this latent space. We have evaluated our proposal in a large portion of the MEDLINE biomedical document collection which uses the Medical Subject Headings (MeSH) thesaurus as a controlled vocabulary. In our experiments we propose and evaluate several document representation approaches and different label autoencoder configurations.

Any-to-any voice conversion aims to transform source speech into a target voice with just a few examples of the target speaker as a reference. Recent methods produce convincing conversions, but at the cost of increased complexity -- making results difficult to reproduce and build on. Instead, we keep it simple. We propose k-nearest neighbors voice conversion (kNN-VC): a straightforward yet effective method for any-to-any conversion. First, we extract self-supervised representations of the source and reference speech. To convert to the target speaker, we replace each frame of the source representation with its nearest neighbor in the reference. Finally, a pretrained vocoder synthesizes audio from the converted representation. Objective and subjective evaluations show that kNN-VC improves speaker similarity with similar intelligibility scores to existing methods. Code, samples, trained models: https://bshall.github.io/knn-vc

We define disentanglement as how far class-different data points from each other are, relative to the distances among class-similar data points. When maximizing disentanglement during representation learning, we obtain a transformed feature representation where the class memberships of the data points are preserved. If the class memberships of the data points are preserved, we would have a feature representation space in which a nearest neighbour classifier or a clustering algorithm would perform well. We take advantage of this method to learn better natural language representation, and employ it on text classification and text clustering tasks. Through disentanglement, we obtain text representations with better-defined clusters and improve text classification performance. Our approach had a test classification accuracy of as high as 90.11% and test clustering accuracy of 88% on the AG News dataset, outperforming our baseline models -- without any other training tricks or regularization.

We propose a direct estimation method for R\'{e}nyi and f-divergence measures based on a new graph theoretical interpretation. Suppose that we are given two sample sets X and Y, respectively with N and M samples, where eta:=M/N is a constant value. Considering the k-nearest neighbor (k-NN) graph of Y in the joint data set (X,Y), we show that the average powered ratio of the number of X points to the number of Y points among all k-NN points is proportional to R\'{e}nyi divergence of X and Y densities. A similar method can also be used to estimate f-divergence measures. We derive bias and variance rates, and show that for the class of gamma-H\"{o}lder smooth functions, the estimator achieves the MSE rate of O(N^{-2gamma/(gamma+d)}). Furthermore, by using a weighted ensemble estimation technique, for density functions with continuous and bounded derivatives of up to the order d, and some extra conditions at the support set boundary, we derive an ensemble estimator that achieves the parametric MSE rate of O(1/N). Our estimators are more computationally tractable than other competing estimators, which makes them appealing in many practical applications.

Large language models (LLMs) often hallucinate and lack the ability to provide attribution for their generations. Semi-parametric LMs, such as kNN-LM, approach these limitations by refining the output of an LM for a given prompt using its nearest neighbor matches in a non-parametric data store. However, these models often exhibit slow inference speeds and produce non-fluent texts. In this paper, we introduce Nearest Neighbor Speculative Decoding (NEST), a novel semi-parametric language modeling approach that is capable of incorporating real-world text spans of arbitrary length into the LM generations and providing attribution to their sources. NEST performs token-level retrieval at each inference step to compute a semi-parametric mixture distribution and identify promising span continuations in a corpus. It then uses an approximate speculative decoding procedure that accepts a prefix of the retrieved span or generates a new token. NEST significantly enhances the generation quality and attribution rate of the base LM across a variety of knowledge-intensive tasks, surpassing the conventional kNN-LM method and performing competitively with in-context retrieval augmentation. In addition, NEST substantially improves the generation speed, achieving a 1.8x speedup in inference time when applied to Llama-2-Chat 70B.

Despite significant advances, the performance of state-of-the-art continual learning approaches hinges on the unrealistic scenario of fully labeled data. In this paper, we tackle this challenge and propose an approach for continual semi-supervised learning--a setting where not all the data samples are labeled. A primary issue in this scenario is the model forgetting representations of unlabeled data and overfitting the labeled samples. We leverage the power of nearest-neighbor classifiers to nonlinearly partition the feature space and flexibly model the underlying data distribution thanks to its non-parametric nature. This enables the model to learn a strong representation for the current task, and distill relevant information from previous tasks. We perform a thorough experimental evaluation and show that our method outperforms all the existing approaches by large margins, setting a solid state of the art on the continual semi-supervised learning paradigm. For example, on CIFAR-100 we surpass several others even when using at least 30 times less supervision (0.8% vs. 25% of annotations). Finally, our method works well on both low and high resolution images and scales seamlessly to more complex datasets such as ImageNet-100. The code is publicly available on https://github.com/kangzhiq/NNCSL

Multi-controlled single-target (MC) gates are some of the most crucial building blocks for varied quantum algorithms. How to implement them optimally is thus a pivotal question. To answer this question in an architecture-independent manner, and to get a worst-case estimate, we should look at a linear nearest-neighbor (LNN) architecture, as this can be embedded in almost any qubit connectivity. Motivated by the above, here we describe a method which implements MC gates using no more than sim 4k+8n CNOT gates -- up-to 60% reduction over state-of-the-art -- while allowing for complete flexibility to choose the locations of n controls, the target, and a dirty ancilla out of k qubits. More strikingly, in case k approx n, our upper bound is sim 12n -- the best known for unrestricted connectivity -- and if n = 1, our upper bound is sim 4k -- the best known for a single long-range CNOT gate over k qubits -- therefore, if our upper bound can be reduced, then the cost of one or both of these simpler versions of MC gates will be immediately reduced accordingly. In practice, our method provides circuits that tend to require fewer CNOT gates than our upper bound for almost any given instance of MC gates.

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

Neural network classifiers have become the de-facto choice for current "pre-train then fine-tune" paradigms of visual classification. In this paper, we investigate k-Nearest-Neighbor (k-NN) classifiers, a classical model-free learning method from the pre-deep learning era, as an augmentation to modern neural network based approaches. As a lazy learning method, k-NN simply aggregates the distance between the test image and top-k neighbors in a training set. We adopt k-NN with pre-trained visual representations produced by either supervised or self-supervised methods in two steps: (1) Leverage k-NN predicted probabilities as indications for easy vs. hard examples during training. (2) Linearly interpolate the k-NN predicted distribution with that of the augmented classifier. Via extensive experiments on a wide range of classification tasks, our study reveals the generality and flexibility of k-NN integration with additional insights: (1) k-NN achieves competitive results, sometimes even outperforming a standard linear classifier. (2) Incorporating k-NN is especially beneficial for tasks where parametric classifiers perform poorly and / or in low-data regimes. We hope these discoveries will encourage people to rethink the role of pre-deep learning, classical methods in computer vision. Our code is available at: https://github.com/KMnP/nn-revisit.

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

High-dimensional vector embeddings are widely used in retrieval systems, yet dimensionality reduction (DR) is seldom applied due to its tendency to distort nearest-neighbor (NN) structure critical for search. Existing DR techniques such as PCA and UMAP optimize global or manifold-preserving criteria, rather than retrieval-specific objectives. We present MPAD: Maximum Pairwise Absolute Difference, an unsupervised DR method that explicitly preserves approximate NN relations by maximizing the margin between k-NNs and non-k-NNs under a soft orthogonality constraint. This design enables MPAD to retain ANN-relevant geometry without supervision or changes to the original embedding model. Experiments across multiple domains show that MPAD consistently outperforms standard DR methods in preserving neighborhood structure, enabling more accurate search in reduced dimensions.

The in-memory algorithms for approximate nearest neighbor search (ANNS) have achieved great success for fast high-recall search, but are extremely expensive when handling very large scale database. Thus, there is an increasing request for the hybrid ANNS solutions with small memory and inexpensive solid-state drive (SSD). In this paper, we present a simple but efficient memory-disk hybrid indexing and search system, named SPANN, that follows the inverted index methodology. It stores the centroid points of the posting lists in the memory and the large posting lists in the disk. We guarantee both disk-access efficiency (low latency) and high recall by effectively reducing the disk-access number and retrieving high-quality posting lists. In the index-building stage, we adopt a hierarchical balanced clustering algorithm to balance the length of posting lists and augment the posting list by adding the points in the closure of the corresponding clusters. In the search stage, we use a query-aware scheme to dynamically prune the access of unnecessary posting lists. Experiment results demonstrate that SPANN is 2times faster than the state-of-the-art ANNS solution DiskANN to reach the same recall quality 90% with same memory cost in three billion-scale datasets. It can reach 90% recall@1 and recall@10 in just around one millisecond with only 32GB memory cost. Code is available at: {\footnotesizeblue{https://github.com/microsoft/SPTAG}}.

In this technical report, we present our solution to the CVPR 2025 Visual Anomaly and Novelty Detection (VAND) 3.0 Workshop Challenge Track 1: Adapt & Detect: Robust Anomaly Detection in Real-World Applications. In real-world industrial anomaly detection, it is crucial to accurately identify anomalies with physical complexity, such as transparent or reflective surfaces, occlusions, and low-contrast contaminations. The recently proposed MVTec AD 2 dataset significantly narrows the gap between publicly available benchmarks and anomalies found in real-world industrial environments. To address the challenges posed by this dataset--such as complex and varying lighting conditions and real anomalies with large scale differences--we propose a fully training-free anomaly detection and segmentation method based on feature extraction using the DINOv2 model named SuperAD. Our method carefully selects a small number of normal reference images and constructs a memory bank by leveraging the strong representational power of DINOv2. Anomalies are then segmented by performing nearest neighbor matching between test image features and the memory bank. Our method achieves competitive results on both test sets of the MVTec AD 2 dataset.

This paper presents a novel approach to Zero-Shot Action Recognition. Recent works have explored the detection and classification of objects to obtain semantic information from videos with remarkable performance. Inspired by them, we propose using video captioning methods to extract semantic information about objects, scenes, humans, and their relationships. To the best of our knowledge, this is the first work to represent both videos and labels with descriptive sentences. More specifically, we represent videos using sentences generated via video captioning methods and classes using sentences extracted from documents acquired through search engines on the Internet. Using these representations, we build a shared semantic space employing BERT-based embedders pre-trained in the paraphrasing task on multiple text datasets. The projection of both visual and semantic information onto this space is straightforward, as they are sentences, enabling classification using the nearest neighbor rule. We demonstrate that representing videos and labels with sentences alleviates the domain adaptation problem. Additionally, we show that word vectors are unsuitable for building the semantic embedding space of our descriptions. Our method outperforms the state-of-the-art performance on the UCF101 dataset by 3.3 p.p. in accuracy under the TruZe protocol and achieves competitive results on both the UCF101 and HMDB51 datasets under the conventional protocol (0/50\% - training/testing split). Our code is available at https://github.com/valterlej/zsarcap.

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

As large language models (LLMs) grow in scale and specialization, routing--selecting the best model for a given input--has become essential for efficient and effective deployment. While recent methods rely on complex learned routing strategies, their dependence on disparate training data and evaluation setups makes comparison and generalization difficult. In this work, we revisit LLM routing through the lens of simplicity. We show that a well-tuned k-Nearest Neighbors (kNN) approach not only matches but often outperforms state-of-the-art learned routers across diverse tasks. To support systematic evaluation, we introduce a suite of standardized routing benchmarks spanning instruction-following, question-answering, and reasoning tasks, as well as the first multi-modal routing dataset involving visual inputs. Our findings reveal that the locality properties of model performance in embedding space enable simple non-parametric methods to achieve strong routing decisions with lower sample complexity than parametric approaches. This challenges the prevailing trend toward sophisticated architectures and highlights the importance of thoroughly evaluating simple baselines before investing in complex solutions. To support reproducibility and further exploration, we will release all benchmarks and code upon publication.

Hashing is an efficient method for nearest neighbor search in large-scale data space by embedding high-dimensional feature descriptors into a similarity preserving Hamming space with a low dimension. However, large-scale high-speed retrieval through binary code has a certain degree of reduction in retrieval accuracy compared to traditional retrieval methods. We have noticed that multi-view methods can well preserve the diverse characteristics of data. Therefore, we try to introduce the multi-view deep neural network into the hash learning field, and design an efficient and innovative retrieval model, which has achieved a significant improvement in retrieval performance. In this paper, we propose a supervised multi-view hash model which can enhance the multi-view information through neural networks. This is a completely new hash learning method that combines multi-view and deep learning methods. The proposed method utilizes an effective view stability evaluation method to actively explore the relationship among views, which will affect the optimization direction of the entire network. We have also designed a variety of multi-data fusion methods in the Hamming space to preserve the advantages of both convolution and multi-view. In order to avoid excessive computing resources on the enhancement procedure during retrieval, we set up a separate structure called memory network which participates in training together. The proposed method is systematically evaluated on the CIFAR-10, NUS-WIDE and MS-COCO datasets, and the results show that our method significantly outperforms the state-of-the-art single-view and multi-view hashing methods.

Deep neural networks (DNNs) are often used for text classification tasks as they usually achieve high levels of accuracy. However, DNNs can be computationally intensive with billions of parameters and large amounts of labeled data, which can make them expensive to use, to optimize and to transfer to out-of-distribution (OOD) cases in practice. In this paper, we propose a non-parametric alternative to DNNs that's easy, light-weight and universal in text classification: a combination of a simple compressor like gzip with a k-nearest-neighbor classifier. Without any training, pre-training or fine-tuning, our method achieves results that are competitive with non-pretrained deep learning methods on six in-distributed datasets. It even outperforms BERT on all five OOD datasets, including four low-resource languages. Our method also performs particularly well in few-shot settings where labeled data are too scarce for DNNs to achieve a satisfying accuracy.

3D pre-training is crucial to 3D perception tasks. Nevertheless, limited by the difficulties in collecting clean and complete 3D data, 3D pre-training has persistently faced data scaling challenges. In this work, we introduce a novel self-supervised pre-training framework that incorporates millions of images into 3D pre-training corpora by leveraging a large depth estimation model. New pre-training corpora encounter new challenges in representation ability and embedding efficiency of models. Previous pre-training methods rely on farthest point sampling and k-nearest neighbors to embed a fixed number of 3D tokens. However, these approaches prove inadequate when it comes to embedding millions of samples that feature a diverse range of point numbers, spanning from 1,000 to 100,000. In contrast, we propose a tokenizer with linear-time complexity, which enables the efficient embedding of a flexible number of tokens. Accordingly, a new 3D reconstruction target is proposed to cooperate with our 3D tokenizer. Our method achieves state-of-the-art performance in 3D classification, few-shot learning, and 3D segmentation. Code is available at https://github.com/XuechaoChen/P3P-MAE.

This study provides a methodological framework for the computer to classify tweets according to variables of the Theory of Planned Behavior. We present a sequential process of automated text analysis which combined supervised approach and unsupervised approach in order to make the computer to detect one of TPB variables in each tweet. We conducted Latent Dirichlet Allocation (LDA), Nearest Neighbor, and then assessed "typicality" of newly labeled tweets in order to predict classification boundary. Furthermore, this study reports findings from a content analysis of suicide-related tweets which identify traits of information environment in Twitter. Consistent with extant literature about suicide coverage, the findings demonstrate that tweets often contain information which prompt perceived behavior control of committing suicide, while rarely provided deterring information on suicide. We conclude by highlighting implications for methodological advances and empirical theory studies.

Recent text-to-image models have achieved impressive results. However, since they require large-scale datasets of text-image pairs, it is impractical to train them on new domains where data is scarce or not labeled. In this work, we propose using large-scale retrieval methods, in particular, efficient k-Nearest-Neighbors (kNN), which offers novel capabilities: (1) training a substantially small and efficient text-to-image diffusion model without any text, (2) generating out-of-distribution images by simply swapping the retrieval database at inference time, and (3) performing text-driven local semantic manipulations while preserving object identity. To demonstrate the robustness of our method, we apply our kNN approach on two state-of-the-art diffusion backbones, and show results on several different datasets. As evaluated by human studies and automatic metrics, our method achieves state-of-the-art results compared to existing approaches that train text-to-image generation models using images only (without paired text data)

This work addresses the challenge of sub-pixel accuracy in detecting 2D local features, a cornerstone problem in computer vision. Despite the advancements brought by neural network-based methods like SuperPoint and ALIKED, these modern approaches lag behind classical ones such as SIFT in keypoint localization accuracy due to their lack of sub-pixel precision. We propose a novel network that enhances any detector with sub-pixel precision by learning an offset vector for detected features, thereby eliminating the need for designing specialized sub-pixel accurate detectors. This optimization directly minimizes test-time evaluation metrics like relative pose error. Through extensive testing with both nearest neighbors matching and the recent LightGlue matcher across various real-world datasets, our method consistently outperforms existing methods in accuracy. Moreover, it adds only around 7 ms to the time of a particular detector. The code is available at https://github.com/KimSinjeong/keypt2subpx .

Cross-corpus speech emotion recognition (SER) aims to transfer emotional knowledge from a labeled source corpus to an unlabeled corpus. However, prior methods require access to source data during adaptation, which is unattainable in real-life scenarios due to data privacy protection concerns. This paper tackles a more practical task, namely source-free cross-corpus SER, where a pre-trained source model is adapted to the target domain without access to source data. To address the problem, we propose a novel method called emotion-aware contrastive adaptation network (ECAN). The core idea is to capture local neighborhood information between samples while considering the global class-level adaptation. Specifically, we propose a nearest neighbor contrastive learning to promote local emotion consistency among features of highly similar samples. Furthermore, relying solely on nearest neighborhoods may lead to ambiguous boundaries between clusters. Thus, we incorporate supervised contrastive learning to encourage greater separation between clusters representing different emotions, thereby facilitating improved class-level adaptation. Extensive experiments indicate that our proposed ECAN significantly outperforms state-of-the-art methods under the source-free cross-corpus SER setting on several speech emotion corpora.

Leveraging nearest neighbor retrieval for self-supervised representation learning has proven beneficial with object-centric images. However, this approach faces limitations when applied to scene-centric datasets, where multiple objects within an image are only implicitly captured in the global representation. Such global bootstrapping can lead to undesirable entanglement of object representations. Furthermore, even object-centric datasets stand to benefit from a finer-grained bootstrapping approach. In response to these challenges, we introduce a novel Cross-Image Object-Level Bootstrapping method tailored to enhance dense visual representation learning. By employing object-level nearest neighbor bootstrapping throughout the training, CrIBo emerges as a notably strong and adequate candidate for in-context learning, leveraging nearest neighbor retrieval at test time. CrIBo shows state-of-the-art performance on the latter task while being highly competitive in more standard downstream segmentation tasks. Our code and pretrained models are publicly available at https://github.com/tileb1/CrIBo.

Dimensionality reduction methods are unsupervised approaches which learn low-dimensional spaces where some properties of the initial space, typically the notion of "neighborhood", are preserved. Such methods usually require propagation on large k-NN graphs or complicated optimization solvers. On the other hand, self-supervised learning approaches, typically used to learn representations from scratch, rely on simple and more scalable frameworks for learning. In this paper, we propose TLDR, a dimensionality reduction method for generic input spaces that is porting the recent self-supervised learning framework of Zbontar et al. (2021) to the specific task of dimensionality reduction, over arbitrary representations. We propose to use nearest neighbors to build pairs from a training set and a redundancy reduction loss to learn an encoder that produces representations invariant across such pairs. TLDR is a method that is simple, easy to train, and of broad applicability; it consists of an offline nearest neighbor computation step that can be highly approximated, and a straightforward learning process. Aiming for scalability, we focus on improving linear dimensionality reduction, and show consistent gains on image and document retrieval tasks, e.g. gaining +4% mAP over PCA on ROxford for GeM- AP, improving the performance of DINO on ImageNet or retaining it with a 10x compression.

Approximate Nearest Neighbor Search (ANNS) plays a critical role in applications such as search engines, recommender systems, and RAG for LLMs. Vector quantization (VQ), a crucial technique for ANNS, is commonly used to reduce space overhead and accelerate distance computations. However, despite significant research advances, state-of-the-art VQ methods still face challenges in balancing encoding efficiency and quantization accuracy. To address these limitations, we propose a novel VQ method called SAQ. To improve accuracy, SAQ employs a new dimension segmentation technique to strategically partition PCA-projected vectors into segments along their dimensions. By prioritizing leading dimension segments with larger magnitudes, SAQ allocates more bits to high-impact segments, optimizing the use of the available space quota. An efficient dynamic programming algorithm is developed to optimize dimension segmentation and bit allocation, ensuring minimal quantization error. To speed up vector encoding, SAQ devises a code adjustment technique to first quantize each dimension independently and then progressively refine quantized vectors using a coordinate-descent-like approach to avoid exhaustive enumeration. Extensive experiments demonstrate SAQ's superiority over classical methods (e.g., PQ, PCA) and recent state-of-the-art approaches (e.g., LVQ, Extended RabitQ). SAQ achieves up to 80% reduction in quantization error and accelerates encoding speed by over 80x compared to Extended RabitQ.

Vector-quantized networks (VQNs) have exhibited remarkable performance across various tasks, yet they are prone to training instability, which complicates the training process due to the necessity for techniques such as subtle initialization and model distillation. In this study, we identify the local minima issue as the primary cause of this instability. To address this, we integrate an optimal transport method in place of the nearest neighbor search to achieve a more globally informed assignment. We introduce OptVQ, a novel vector quantization method that employs the Sinkhorn algorithm to optimize the optimal transport problem, thereby enhancing the stability and efficiency of the training process. To mitigate the influence of diverse data distributions on the Sinkhorn algorithm, we implement a straightforward yet effective normalization strategy. Our comprehensive experiments on image reconstruction tasks demonstrate that OptVQ achieves 100% codebook utilization and surpasses current state-of-the-art VQNs in reconstruction quality.

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.

Self-supervised pretraining methods with masked prediction demonstrate remarkable within-dataset performance in skeleton-based action recognition. However, we show that, unlike contrastive learning approaches, they do not produce well-separated clusters. Additionally, these methods struggle with generalization in few-shot settings. To address these issues, we propose Self-supervised Tuning for 3D Action Recognition in Skeleton sequences (STARS). Specifically, STARS first uses a masked prediction stage using an encoder-decoder architecture. It then employs nearest-neighbor contrastive learning to partially tune the weights of the encoder, enhancing the formation of semantic clusters for different actions. By tuning the encoder for a few epochs, and without using hand-crafted data augmentations, STARS achieves state-of-the-art self-supervised results in various benchmarks, including NTU-60, NTU-120, and PKU-MMD. In addition, STARS exhibits significantly better results than masked prediction models in few-shot settings, where the model has not seen the actions throughout pretraining. Project page: https://soroushmehraban.github.io/stars/

Self-supervised learning of convolutional neural networks can harness large amounts of cheap unlabeled data to train powerful feature representations. As surrogate task, we jointly address ordering of visual data in the spatial and temporal domain. The permutations of training samples, which are at the core of self-supervision by ordering, have so far been sampled randomly from a fixed preselected set. Based on deep reinforcement learning we propose a sampling policy that adapts to the state of the network, which is being trained. Therefore, new permutations are sampled according to their expected utility for updating the convolutional feature representation. Experimental evaluation on unsupervised and transfer learning tasks demonstrates competitive performance on standard benchmarks for image and video classification and nearest neighbor retrieval.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

Recent Diffusion Transformers (e.g., DiT) have demonstrated their powerful effectiveness in generating high-quality 2D images. However, it is still being determined whether the Transformer architecture performs equally well in 3D shape generation, as previous 3D diffusion methods mostly adopted the U-Net architecture. To bridge this gap, we propose a novel Diffusion Transformer for 3D shape generation, namely DiT-3D, which can directly operate the denoising process on voxelized point clouds using plain Transformers. Compared to existing U-Net approaches, our DiT-3D is more scalable in model size and produces much higher quality generations. Specifically, the DiT-3D adopts the design philosophy of DiT but modifies it by incorporating 3D positional and patch embeddings to adaptively aggregate input from voxelized point clouds. To reduce the computational cost of self-attention in 3D shape generation, we incorporate 3D window attention into Transformer blocks, as the increased 3D token length resulting from the additional dimension of voxels can lead to high computation. Finally, linear and devoxelization layers are used to predict the denoised point clouds. In addition, our transformer architecture supports efficient fine-tuning from 2D to 3D, where the pre-trained DiT-2D checkpoint on ImageNet can significantly improve DiT-3D on ShapeNet. Experimental results on the ShapeNet dataset demonstrate that the proposed DiT-3D achieves state-of-the-art performance in high-fidelity and diverse 3D point cloud generation. In particular, our DiT-3D decreases the 1-Nearest Neighbor Accuracy of the state-of-the-art method by 4.59 and increases the Coverage metric by 3.51 when evaluated on Chamfer Distance.

Hallucination in large language models (LLMs) can be detected by assessing the uncertainty of model outputs, typically measured using entropy. Semantic entropy (SE) enhances traditional entropy estimation by quantifying uncertainty at the semantic cluster level. However, as modern LLMs generate longer one-sentence responses, SE becomes less effective because it overlooks two crucial factors: intra-cluster similarity (the spread within a cluster) and inter-cluster similarity (the distance between clusters). To address these limitations, we propose a simple black-box uncertainty quantification method inspired by nearest neighbor estimates of entropy. Our approach can also be easily extended to white-box settings by incorporating token probabilities. Additionally, we provide theoretical results showing that our method generalizes semantic entropy. Extensive empirical results demonstrate its effectiveness compared to semantic entropy across two recent LLMs (Phi3 and Llama3) and three common text generation tasks: question answering, text summarization, and machine translation. Our code is available at https://github.com/BigML-CS-UCLA/SNNE.

Machine translation is highly sensitive to the size and quality of the training data, which has led to an increasing interest in collecting and filtering large parallel corpora. In this paper, we propose a new method for this task based on multilingual sentence embeddings. In contrast to previous approaches, which rely on nearest neighbor retrieval with a hard threshold over cosine similarity, our proposed method accounts for the scale inconsistencies of this measure, considering the margin between a given sentence pair and its closest candidates instead. Our experiments show large improvements over existing methods. We outperform the best published results on the BUCC mining task and the UN reconstruction task by more than 10 F1 and 30 precision points, respectively. Filtering the English-German ParaCrawl corpus with our approach, we obtain 31.2 BLEU points on newstest2014, an improvement of more than one point over the best official filtered version.

We introduce the first data-driven multi-view 3D point tracker, designed to track arbitrary points in dynamic scenes using multiple camera views. Unlike existing monocular trackers, which struggle with depth ambiguities and occlusion, or prior multi-camera methods that require over 20 cameras and tedious per-sequence optimization, our feed-forward model directly predicts 3D correspondences using a practical number of cameras (e.g., four), enabling robust and accurate online tracking. Given known camera poses and either sensor-based or estimated multi-view depth, our tracker fuses multi-view features into a unified point cloud and applies k-nearest-neighbors correlation alongside a transformer-based update to reliably estimate long-range 3D correspondences, even under occlusion. We train on 5K synthetic multi-view Kubric sequences and evaluate on two real-world benchmarks: Panoptic Studio and DexYCB, achieving median trajectory errors of 3.1 cm and 2.0 cm, respectively. Our method generalizes well to diverse camera setups of 1-8 views with varying vantage points and video lengths of 24-150 frames. By releasing our tracker alongside training and evaluation datasets, we aim to set a new standard for multi-view 3D tracking research and provide a practical tool for real-world applications. Project page available at https://ethz-vlg.github.io/mvtracker.

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. Our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

Text-to-image diffusion models have made significant advances in generating and editing high-quality images. As a result, numerous approaches have explored the ability of diffusion model features to understand and process single images for downstream tasks, e.g., classification, semantic segmentation, and stylization. However, significantly less is known about what these features reveal across multiple, different images and objects. In this work, we exploit Stable Diffusion (SD) features for semantic and dense correspondence and discover that with simple post-processing, SD features can perform quantitatively similar to SOTA representations. Interestingly, the qualitative analysis reveals that SD features have very different properties compared to existing representation learning features, such as the recently released DINOv2: while DINOv2 provides sparse but accurate matches, SD features provide high-quality spatial information but sometimes inaccurate semantic matches. We demonstrate that a simple fusion of these two features works surprisingly well, and a zero-shot evaluation using nearest neighbors on these fused features provides a significant performance gain over state-of-the-art methods on benchmark datasets, e.g., SPair-71k, PF-Pascal, and TSS. We also show that these correspondences can enable interesting applications such as instance swapping in two images.

Speculative decoding (SD) accelerates Large Language Model (LLM) generation by using an efficient draft model to propose the next few tokens, which are verified by the LLM in a single forward call, reducing latency while preserving its outputs. We focus on retrieval-based SD where the draft model retrieves the next tokens from a non-parametric datastore. Sparse retrieval (REST), which operates on the surface form of strings, is currently the dominant paradigm due to its simplicity and scalability. However, its effectiveness is limited due to the usage of short contexts and exact string matching. Instead, we introduce Dense Retrieval for Speculative Decoding (DReSD), a novel framework that uses approximate nearest neighbour search with contextualised token embeddings to retrieve the most semantically relevant token sequences for SD. Extensive experiments show that DReSD achieves (on average) 87% higher acceptance rates, 65% longer accepted tokens and 19% faster generation speeds compared to sparse retrieval (REST).

Motor impairments, frequently caused by neurological incidents like strokes or traumatic brain injuries, present substantial obstacles in rehabilitation therapy. This research aims to elevate the field by optimizing motor imagery classification algorithms within Brain-Computer Interfaces (BCIs). By improving the efficiency of BCIs, we offer a novel approach that holds significant promise for enhancing motor rehabilitation outcomes. Utilizing unsupervised techniques for dimensionality reduction, namely Uniform Manifold Approximation and Projection (UMAP) coupled with K-Nearest Neighbors (KNN), we evaluate the necessity of employing supervised methods such as Long Short-Term Memory (LSTM) and Convolutional Neural Networks (CNNs) for classification tasks. Importantly, participants who exhibited high KNN scores following UMAP dimensionality reduction also achieved high accuracy in supervised deep learning (DL) models. Due to individualized model requirements and massive neural training data, dimensionality reduction becomes an effective preprocessing step that minimizes the need for extensive data labeling and supervised deep learning techniques. This approach has significant implications not only for targeted therapies in motor dysfunction but also for addressing regulatory, safety, and reliability concerns in the rapidly evolving BCI field.

Image resizing operation is a fundamental preprocessing module in modern computer vision. Throughout the deep learning revolution, researchers have overlooked the potential of alternative resizing methods beyond the commonly used resizers that are readily available, such as nearest-neighbors, bilinear, and bicubic. The key question of our interest is whether the front-end resizer affects the performance of deep vision models? In this paper, we present an extremely lightweight multilayer Laplacian resizer with only a handful of trainable parameters, dubbed MULLER resizer. MULLER has a bandpass nature in that it learns to boost details in certain frequency subbands that benefit the downstream recognition models. We show that MULLER can be easily plugged into various training pipelines, and it effectively boosts the performance of the underlying vision task with little to no extra cost. Specifically, we select a state-of-the-art vision Transformer, MaxViT, as the baseline, and show that, if trained with MULLER, MaxViT gains up to 0.6% top-1 accuracy, and meanwhile enjoys 36% inference cost saving to achieve similar top-1 accuracy on ImageNet-1k, as compared to the standard training scheme. Notably, MULLER's performance also scales with model size and training data size such as ImageNet-21k and JFT, and it is widely applicable to multiple vision tasks, including image classification, object detection and segmentation, as well as image quality assessment.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

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.

We present Cycle-Contrastive Learning (CCL), a novel self-supervised method for learning video representation. Following a nature that there is a belong and inclusion relation of video and its frames, CCL is designed to find correspondences across frames and videos considering the contrastive representation in their domains respectively. It is different from recent approaches that merely learn correspondences across frames or clips. In our method, the frame and video representations are learned from a single network based on an R3D architecture, with a shared non-linear transformation for embedding both frame and video features before the cycle-contrastive loss. We demonstrate that the video representation learned by CCL can be transferred well to downstream tasks of video understanding, outperforming previous methods in nearest neighbour retrieval and action recognition tasks on UCF101, HMDB51 and MMAct.

Social networks have a vast range of applications with graphs. The available benchmark datasets are citation, co-occurrence, e-commerce networks, etc, with classes ranging from 3 to 15. However, there is no benchmark classification social network dataset for graph machine learning. This paper fills the gap and presents the Binary Classification Social Network Dataset (BiSND), designed for graph machine learning applications to predict binary classes. We present the BiSND in tabular and graph formats to verify its robustness across classical and advanced machine learning. We employ a diverse set of classifiers, including four traditional machine learning algorithms (Decision Trees, K-Nearest Neighbour, Random Forest, XGBoost), one Deep Neural Network (multi-layer perceptrons), one Graph Neural Network (Graph Convolutional Network), and three state-of-the-art Graph Contrastive Learning methods (BGRL, GRACE, DAENS). Our findings reveal that BiSND is suitable for classification tasks, with F1-scores ranging from 67.66 to 70.15, indicating promising avenues for future enhancements.

In this paper, we study the localization problem in dense urban settings. In such environments, Global Navigation Satellite Systems fail to provide good accuracy due to low likelihood of line-of-sight (LOS) links between the receiver (Rx) to be located and the satellites, due to the presence of obstacles like the buildings. Thus, one has to resort to other technologies, which can reliably operate under non-line-of-sight (NLOS) conditions. Recently, we proposed a Received Signal Strength (RSS) fingerprint and convolutional neural network-based algorithm, LocUNet, and demonstrated its state-of-the-art localization performance with respect to the widely adopted k-nearest neighbors (kNN) algorithm, and to state-of-the-art time of arrival (ToA) ranging-based methods. In the current work, we first recognize LocUNet's ability to learn the underlying prior distribution of the Rx position or Rx and transmitter (Tx) association preferences from the training data, and attribute its high performance to these. Conversely, we demonstrate that classical methods based on probabilistic approach, can greatly benefit from an appropriate incorporation of such prior information. Our studies also numerically prove LocUNet's close to optimal performance in many settings, by comparing it with the theoretically optimal formulations.

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.

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

Approximate nearest neighbor search (ANNS) is a fundamental building block in information retrieval with graph-based indices being the current state-of-the-art and widely used in the industry. Recent advances in graph-based indices have made it possible to index and search billion-point datasets with high recall and millisecond-level latency on a single commodity machine with an SSD. However, existing graph algorithms for ANNS support only static indices that cannot reflect real-time changes to the corpus required by many key real-world scenarios (e.g. index of sentences in documents, email, or a news index). To overcome this drawback, the current industry practice for manifesting updates into such indices is to periodically re-build these indices, which can be prohibitively expensive. In this paper, we present the first graph-based ANNS index that reflects corpus updates into the index in real-time without compromising on search performance. Using update rules for this index, we design FreshDiskANN, a system that can index over a billion points on a workstation with an SSD and limited memory, and support thousands of concurrent real-time inserts, deletes and searches per second each, while retaining >95% 5-recall@5. This represents a 5-10x reduction in the cost of maintaining freshness in indices when compared to existing methods.

Large-scale visual localization systems continue to rely on 3D point clouds built from image collections using structure-from-motion. While the 3D points in these models are represented using local image features, directly matching a query image's local features against the point cloud is challenging due to the scale of the nearest-neighbor search problem. Many recent approaches to visual localization have thus proposed a hybrid method, where first a global (per image) embedding is used to retrieve a small subset of database images, and local features of the query are matched only against those. It seems to have become common belief that global embeddings are critical for said image-retrieval in visual localization, despite the significant downside of having to compute two feature types for each query image. In this paper, we take a step back from this assumption and propose Constrained Approximate Nearest Neighbors (CANN), a joint solution of k-nearest-neighbors across both the geometry and appearance space using only local features. We first derive the theoretical foundation for k-nearest-neighbor retrieval across multiple metrics and then showcase how CANN improves visual localization. Our experiments on public localization benchmarks demonstrate that our method significantly outperforms both state-of-the-art global feature-based retrieval and approaches using local feature aggregation schemes. Moreover, it is an order of magnitude faster in both index and query time than feature aggregation schemes for these datasets. Code will be released.

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

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

In embedding-based retrieval, Approximate Nearest Neighbor (ANN) search enables efficient retrieval of similar items from large-scale datasets. While maximizing recall of relevant items is usually the goal of retrieval systems, a low precision may lead to a poor search experience. Unlike lexical retrieval, which inherently limits the size of the retrieved set through keyword matching, dense retrieval via ANN search has no natural cutoff. Moreover, the cosine similarity scores of embedding vectors are often optimized via contrastive or ranking losses, which make them difficult to interpret. Consequently, relying on top-K or cosine-similarity cutoff is often insufficient to filter out irrelevant results effectively. This issue is prominent in product search, where the number of relevant products is often small. This paper introduces a novel relevance filtering component (called "Cosine Adapter") for embedding-based retrieval to address this challenge. Our approach maps raw cosine similarity scores to interpretable scores using a query-dependent mapping function. We then apply a global threshold on the mapped scores to filter out irrelevant results. We are able to significantly increase the precision of the retrieved set, at the expense of a small loss of recall. The effectiveness of our approach is demonstrated through experiments on both public MS MARCO dataset and internal Walmart product search data. Furthermore, online A/B testing on the Walmart site validates the practical value of our approach in real-world e-commerce settings.

Vector search systems, pivotal in AI applications, often rely on the Hierarchical Navigable Small Worlds (HNSW) algorithm. However, the behaviour of HNSW under real-world scenarios using vectors generated with deep learning models remains under-explored. Existing Approximate Nearest Neighbours (ANN) benchmarks and research typically has an over-reliance on simplistic datasets like MNIST or SIFT1M and fail to reflect the complexity of current use-cases. Our investigation focuses on HNSW's efficacy across a spectrum of datasets, including synthetic vectors tailored to mimic specific intrinsic dimensionalities, widely-used retrieval benchmarks with popular embedding models, and proprietary e-commerce image data with CLIP models. We survey the most popular HNSW vector databases and collate their default parameters to provide a realistic fixed parameterisation for the duration of the paper. We discover that the recall of approximate HNSW search, in comparison to exact K Nearest Neighbours (KNN) search, is linked to the vector space's intrinsic dimensionality and significantly influenced by the data insertion sequence. Our methodology highlights how insertion order, informed by measurable properties such as the pointwise Local Intrinsic Dimensionality (LID) or known categories, can shift recall by up to 12 percentage points. We also observe that running popular benchmark datasets with HNSW instead of KNN can shift rankings by up to three positions for some models. This work underscores the need for more nuanced benchmarks and design considerations in developing robust vector search systems using approximate vector search algorithms. This study presents a number of scenarios with varying real world applicability which aim to better increase understanding and future development of ANN algorithms and embedding

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

Most text-based information retrieval (IR) systems index objects by words or phrases. These discrete systems have been augmented by models that use embeddings to measure similarity in continuous space. But continuous-space models are typically used just to re-rank the top candidates. We consider the problem of end-to-end continuous retrieval, where standard approximate nearest neighbor (ANN) search replaces the usual discrete inverted index, and rely entirely on distances between learned embeddings. By training simple models specifically for retrieval, with an appropriate model architecture, we improve on a discrete baseline by 8% and 26% (MAP) on two similar-question retrieval tasks. We also discuss the problem of evaluation for retrieval systems, and show how to modify existing pairwise similarity datasets for this purpose.

A technique for improving the prediction accuracy of decision trees is proposed. It consists in evaluating the tree's branches in parallel over multiple paths. The technique enables predictions that are more aligned with the ones generated by the nearest neighborhood variant of the deodata algorithms. The technique also enables the hybridization of the decision tree algorithm with the nearest neighborhood variant.

Multi-document summarization (MDS) is a difficult task in Natural Language Processing, aiming to summarize information from several documents. However, the source documents are often insufficient to obtain a qualitative summary. We propose a retriever-guided model combined with non-parametric memory for summary generation. This model retrieves relevant candidates from a database and then generates the summary considering the candidates with a copy mechanism and the source documents. The retriever is implemented with Approximate Nearest Neighbor Search (ANN) to search large databases. Our method is evaluated on the MultiXScience dataset which includes scientific articles. Finally, we discuss our results and possible directions for future work.

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.

Experts advising decision-makers are likely to display expertise which varies as a function of the problem instance. In practice, this may lead to sub-optimal or discriminatory decisions against minority cases. In this work we model such changes in depth and breadth of knowledge as a partitioning of the problem space into regions of differing expertise. We provide here new algorithms that explicitly consider and adapt to the relationship between problem instances and experts' knowledge. We first propose and highlight the drawbacks of a naive approach based on nearest neighbor queries. To address these drawbacks we then introduce a novel algorithm - expertise trees - that constructs decision trees enabling the learner to select appropriate models. We provide theoretical insights and empirically validate the improved performance of our novel approach on a range of problems for which existing methods proved to be inadequate.

Vector databases typically rely on approximate nearest neighbor (ANN) search to retrieve the top-k closest vectors to a query in embedding space. While effective, this approach often yields semantically redundant results, missing the diversity and contextual richness required by applications such as retrieval-augmented generation (RAG), multi-hop QA, and memory-augmented agents. We introduce a new retrieval paradigm: semantic compression, which aims to select a compact, representative set of vectors that captures the broader semantic structure around a query. We formalize this objective using principles from submodular optimization and information geometry, and show that it generalizes traditional top-k retrieval by prioritizing coverage and diversity. To operationalize this idea, we propose graph-augmented vector retrieval, which overlays semantic graphs (e.g., kNN or knowledge-based links) atop vector spaces to enable multi-hop, context-aware search. We theoretically analyze the limitations of proximity-based retrieval under high-dimensional concentration and highlight how graph structures can improve semantic coverage. Our work outlines a foundation for meaning-centric vector search systems, emphasizing hybrid indexing, diversity-aware querying, and structured semantic retrieval. We make our implementation publicly available to foster future research in this area.

Score-based generative models (SGMs) sample from a target distribution by iteratively transforming noise using the score function of the perturbed target. For any finite training set, this score function can be evaluated in closed form, but the resulting SGM memorizes its training data and does not generate novel samples. In practice, one approximates the score by training a neural network via score-matching. The error in this approximation promotes generalization, but neural SGMs are costly to train and sample, and the effective regularization this error provides is not well-understood theoretically. In this work, we instead explicitly smooth the closed-form score to obtain an SGM that generates novel samples without training. We analyze our model and propose an efficient nearest-neighbor-based estimator of its score function. Using this estimator, our method achieves competitive sampling times while running on consumer-grade CPUs.

Assessing the fidelity and diversity of the generative model is a difficult but important issue for technological advancement. So, recent papers have introduced k-Nearest Neighbor (kNN) based precision-recall metrics to break down the statistical distance into fidelity and diversity. While they provide an intuitive method, we thoroughly analyze these metrics and identify oversimplified assumptions and undesirable properties of kNN that result in unreliable evaluation, such as susceptibility to outliers and insensitivity to distributional changes. Thus, we propose novel metrics, P-precision and P-recall (PP\&PR), based on a probabilistic approach that address the problems. Through extensive investigations on toy experiments and state-of-the-art generative models, we show that our PP\&PR provide more reliable estimates for comparing fidelity and diversity than the existing metrics. The codes are available at https://github.com/kdst-team/Probablistic_precision_recall.

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

We present a Non-parametric Network for 3D point cloud analysis, Point-NN, which consists of purely non-learnable components: farthest point sampling (FPS), k-nearest neighbors (k-NN), and pooling operations, with trigonometric functions. Surprisingly, it performs well on various 3D tasks, requiring no parameters or training, and even surpasses existing fully trained models. Starting from this basic non-parametric model, we propose two extensions. First, Point-NN can serve as a base architectural framework to construct Parametric Networks by simply inserting linear layers on top. Given the superior non-parametric foundation, the derived Point-PN exhibits a high performance-efficiency trade-off with only a few learnable parameters. Second, Point-NN can be regarded as a plug-and-play module for the already trained 3D models during inference. Point-NN captures the complementary geometric knowledge and enhances existing methods for different 3D benchmarks without re-training. We hope our work may cast a light on the community for understanding 3D point clouds with non-parametric methods. Code is available at https://github.com/ZrrSkywalker/Point-NN.

Recent efforts in fine-tuning language models often rely on automatic data selection, commonly using Nearest Neighbors retrieval from large datasets. However, we theoretically show that this approach tends to select redundant data, limiting its effectiveness or even hurting performance. To address this, we introduce SIFT, a data selection algorithm designed to reduce uncertainty about the model's response given a prompt, which unifies ideas from retrieval and active learning. Whereas Nearest Neighbor retrieval typically fails in the presence of information duplication, SIFT accounts for information duplication and optimizes the overall information gain of the selected examples. We focus our evaluations on fine-tuning at test-time for prompt-specific language modeling on the Pile dataset, and show that SIFT consistently outperforms Nearest Neighbor retrieval, with minimal computational overhead. Moreover, we show that our uncertainty estimates can predict the performance gain of test-time fine-tuning, and use this to develop an adaptive algorithm that invests test-time compute proportional to realized performance gains. We provide the activeft (Active Fine-Tuning) library which can be used as a drop-in replacement for Nearest Neighbor retrieval.

k-nearest-neighbor machine translation has demonstrated remarkable improvements in machine translation quality by creating a datastore of cached examples. However, these improvements have been limited to high-resource language pairs, with large datastores, and remain a challenge for low-resource languages. In this paper, we address this issue by combining representations from multiple languages into a single datastore. Our results consistently demonstrate substantial improvements not only in low-resource translation quality (up to +3.6 BLEU), but also for high-resource translation quality (up to +0.5 BLEU). Our experiments show that it is possible to create multilingual datastores that are a quarter of the size, achieving a 5.3x speed improvement, by using linguistic similarities for datastore creation.

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.

Conducting text retrieval in a dense learned representation space has many intriguing advantages over sparse retrieval. Yet the effectiveness of dense retrieval (DR) often requires combination with sparse retrieval. In this paper, we identify that the main bottleneck is in the training mechanisms, where the negative instances used in training are not representative of the irrelevant documents in testing. This paper presents Approximate nearest neighbor Negative Contrastive Estimation (ANCE), a training mechanism that constructs negatives from an Approximate Nearest Neighbor (ANN) index of the corpus, which is parallelly updated with the learning process to select more realistic negative training instances. This fundamentally resolves the discrepancy between the data distribution used in the training and testing of DR. In our experiments, ANCE boosts the BERT-Siamese DR model to outperform all competitive dense and sparse retrieval baselines. It nearly matches the accuracy of sparse-retrieval-and-BERT-reranking using dot-product in the ANCE-learned representation space and provides almost 100x speed-up.

Boundary point detection aims to outline the external contour structure of clusters and enhance the inter-cluster discrimination, thus bolstering the performance of the downstream classification and clustering tasks. However, existing boundary point detectors are sensitive to density heterogeneity or cannot identify boundary points in concave structures and high-dimensional manifolds. In this work, we propose a robust and efficient boundary point detection method based on Local Direction Dispersion (LoDD). The core of boundary point detection lies in measuring the difference between boundary points and internal points. It is a common observation that an internal point is surrounded by its neighbors in all directions, while the neighbors of a boundary point tend to be distributed only in a certain directional range. By considering this observation, we adopt density-independent K-Nearest Neighbors (KNN) method to determine neighboring points and design a centrality metric LoDD using the eigenvalues of the covariance matrix to depict the distribution uniformity of KNN. We also develop a grid-structure assumption of data distribution to determine the parameters adaptively. The effectiveness of LoDD is demonstrated on synthetic datasets, real-world benchmarks, and application of training set split for deep learning model and hole detection on point cloud data. The datasets and toolkit are available at: https://github.com/ZPGuiGroupWhu/lodd.

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in model complexity and in the computational resources invested in training these models. Our work questions the underlying paradigm of compressing large training data into ever growing parametric representations. We rather present an orthogonal, semi-parametric approach. We complement comparably small diffusion or autoregressive models with a separate image database and a retrieval strategy. During training we retrieve a set of nearest neighbors from this external database for each training instance and condition the generative model on these informative samples. While the retrieval approach is providing the (local) content, the model is focusing on learning the composition of scenes based on this content. As demonstrated by our experiments, simply swapping the database for one with different contents transfers a trained model post-hoc to a novel domain. The evaluation shows competitive performance on tasks which the generative model has not been trained on, such as class-conditional synthesis, zero-shot stylization or text-to-image synthesis without requiring paired text-image data. With negligible memory and computational overhead for the external database and retrieval we can significantly reduce the parameter count of the generative model and still outperform the state-of-the-art.

kNN-MT is a straightforward yet powerful approach for fast domain adaptation, which directly plugs pre-trained neural machine translation (NMT) models with domain-specific token-level k-nearest-neighbor (kNN) retrieval to achieve domain adaptation without retraining. Despite being conceptually attractive, kNN-MT is burdened with massive storage requirements and high computational complexity since it conducts nearest neighbor searches over the entire reference corpus. In this paper, we propose a simple and scalable nearest neighbor machine translation framework to drastically promote the decoding and storage efficiency of kNN-based models while maintaining the translation performance. To this end, we dynamically construct an extremely small datastore for each input via sentence-level retrieval to avoid searching the entire datastore in vanilla kNN-MT, based on which we further introduce a distance-aware adapter to adaptively incorporate the kNN retrieval results into the pre-trained NMT models. Experiments on machine translation in two general settings, static domain adaptation and online learning, demonstrate that our proposed approach not only achieves almost 90% speed as the NMT model without performance degradation, but also significantly reduces the storage requirements of kNN-MT.

Similarity search finds application in specialized database systems handling complex data such as images or videos, which are typically represented by high-dimensional features and require specific indexing structures. This paper tackles the problem of better utilizing GPUs for this task. While GPUs excel at data-parallel tasks, prior approaches are bottlenecked by algorithms that expose less parallelism, such as k-min selection, or make poor use of the memory hierarchy. We propose a design for k-selection that operates at up to 55% of theoretical peak performance, enabling a nearest neighbor implementation that is 8.5x faster than prior GPU state of the art. We apply it in different similarity search scenarios, by proposing optimized design for brute-force, approximate and compressed-domain search based on product quantization. In all these setups, we outperform the state of the art by large margins. Our implementation enables the construction of a high accuracy k-NN graph on 95 million images from the Yfcc100M dataset in 35 minutes, and of a graph connecting 1 billion vectors in less than 12 hours on 4 Maxwell Titan X GPUs. We have open-sourced our approach for the sake of comparison and reproducibility.

Dense retrieval models use bi-encoder network architectures for learning query and document representations. These representations are often in the form of a vector representation and their similarities are often computed using the dot product function. In this paper, we propose a new representation learning framework for dense retrieval. Instead of learning a vector for each query and document, our framework learns a multivariate distribution and uses negative multivariate KL divergence to compute the similarity between distributions. For simplicity and efficiency reasons, we assume that the distributions are multivariate normals and then train large language models to produce mean and variance vectors for these distributions. We provide a theoretical foundation for the proposed framework and show that it can be seamlessly integrated into the existing approximate nearest neighbor algorithms to perform retrieval efficiently. We conduct an extensive suite of experiments on a wide range of datasets, and demonstrate significant improvements compared to competitive dense retrieval models.

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

Language models (LMs) compute the probability of a text by sequentially computing a representation of an already-seen context and using this representation to predict the next word. Currently, most LMs calculate these representations through a neural network consuming the immediate previous context. However recently, retrieval-augmented LMs have shown to improve over standard neural LMs, by accessing information retrieved from a large datastore, in addition to their standard, parametric, next-word prediction. In this paper, we set out to understand why retrieval-augmented language models, and specifically why k-nearest neighbor language models (kNN-LMs) perform better than standard parametric LMs, even when the k-nearest neighbor component retrieves examples from the same training set that the LM was originally trained on. To this end, we perform a careful analysis of the various dimensions over which kNN-LM diverges from standard LMs, and investigate these dimensions one by one. Empirically, we identify three main reasons why kNN-LM performs better than standard LMs: using a different input representation for predicting the next tokens, approximate kNN search, and the importance of softmax temperature for the kNN distribution. Further, we incorporate these insights into the model architecture or the training procedure of the standard parametric LM, improving its results without the need for an explicit retrieval component. The code is available at https://github.com/frankxu2004/knnlm-why.

Candidate generation is the first stage in recommendation systems, where a light-weight system is used to retrieve potentially relevant items for an input user. These candidate items are then ranked and pruned in later stages of recommender systems using a more complex ranking model. Since candidate generation is the top of the recommendation funnel, it is important to retrieve a high-recall candidate set to feed into downstream ranking models. A common approach for candidate generation is to leverage approximate nearest neighbor (ANN) search from a single dense query embedding; however, this approach this can yield a low-diversity result set with many near duplicates. As users often have multiple interests, candidate retrieval should ideally return a diverse set of candidates reflective of the user's multiple interests. To this end, we introduce kNN-Embed, a general approach to improving diversity in dense ANN-based retrieval. kNN-Embed represents each user as a smoothed mixture over learned item clusters that represent distinct `interests' of the user. By querying each of a user's mixture component in proportion to their mixture weights, we retrieve a high-diversity set of candidates reflecting elements from each of a user's interests. We experimentally compare kNN-Embed to standard ANN candidate retrieval, and show significant improvements in overall recall and improved diversity across three datasets. Accompanying this work, we open source a large Twitter follow-graph dataset, to spur further research in graph-mining and representation learning for recommender systems.

Neural retrievers based on dense representations combined with Approximate Nearest Neighbors search have recently received a lot of attention, owing their success to distillation and/or better sampling of examples for training -- while still relying on the same backbone architecture. In the meantime, sparse representation learning fueled by traditional inverted indexing techniques has seen a growing interest, inheriting from desirable IR priors such as explicit lexical matching. While some architectural variants have been proposed, a lesser effort has been put in the training of such models. In this work, we build on SPLADE -- a sparse expansion-based retriever -- and show to which extent it is able to benefit from the same training improvements as dense models, by studying the effect of distillation, hard-negative mining as well as the Pre-trained Language Model initialization. We furthermore study the link between effectiveness and efficiency, on in-domain and zero-shot settings, leading to state-of-the-art results in both scenarios for sufficiently expressive models.

t-distributed Stochastic Neighborhood Embedding (t-SNE) is a method for dimensionality reduction and visualization that has become widely popular in recent years. Efficient implementations of t-SNE are available, but they scale poorly to datasets with hundreds of thousands to millions of high dimensional data-points. We present Fast Fourier Transform-accelerated Interpolation-based t-SNE (FIt-SNE), which dramatically accelerates the computation of t-SNE. The most time-consuming step of t-SNE is a convolution that we accelerate by interpolating onto an equispaced grid and subsequently using the fast Fourier transform to perform the convolution. We also optimize the computation of input similarities in high dimensions using multi-threaded approximate nearest neighbors. We further present a modification to t-SNE called "late exaggeration," which allows for easier identification of clusters in t-SNE embeddings. Finally, for datasets that cannot be loaded into the memory, we present out-of-core randomized principal component analysis (oocPCA), so that the top principal components of a dataset can be computed without ever fully loading the matrix, hence allowing for t-SNE of large datasets to be computed on resource-limited machines.

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.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Locality-sensitive hashing (LSH) is a fundamental algorithmic technique widely employed in large-scale data processing applications, such as nearest-neighbor search, entity resolution, and clustering. However, its applicability in some real-world scenarios is limited due to the need for careful design of hashing functions that align with specific metrics. Existing LSH-based Entity Blocking solutions primarily rely on generic similarity metrics such as Jaccard similarity, whereas practical use cases often demand complex and customized similarity rules surpassing the capabilities of generic similarity metrics. Consequently, designing LSH functions for these customized similarity rules presents considerable challenges. In this research, we propose a neuralization approach to enhance locality-sensitive hashing by training deep neural networks to serve as hashing functions for complex metrics. We assess the effectiveness of this approach within the context of the entity resolution problem, which frequently involves the use of task-specific metrics in real-world applications. Specifically, we introduce NLSHBlock (Neural-LSH Block), a novel blocking methodology that leverages pre-trained language models, fine-tuned with a novel LSH-based loss function. Through extensive evaluations conducted on a diverse range of real-world datasets, we demonstrate the superiority of NLSHBlock over existing methods, exhibiting significant performance improvements. Furthermore, we showcase the efficacy of NLSHBlock in enhancing the performance of the entity matching phase, particularly within the semi-supervised setting.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Consider a random uniform sample of n points in a compact region A of Euclidean d-space, d geq 2, with a smooth or (when d=2) polygonal boundary. Fix k bf N. Let T_{n,k} be the threshold r at which the geometric graph on these n vertices with distance parameter r becomes k-connected. We show that if d=2 then n (pi/|A|) T_{n,1}^2 - log n is asymptotically standard Gumbel. For (d,k) neq (2,1), it is n (theta_d/|A|) T_{n,k}^d - (2-2/d) log n - (4-2k-2/d) log log n that converges in distribution to a nondegenerate limit, where theta_d is the volume of the unit ball. The limit is Gumbel with scale parameter 2 except when (d,k)=(2,2) where the limit is two component extreme value distributed. The different cases reflect the fact that boundary effects are more more important in some cases than others. We also give similar results for the largest k-nearest neighbour link U_{n,k} in the sample, and show T_{n,k}=U_{n,k} with high probability. We provide estimates on rates of convergence and give similar results for Poisson samples in A. Finally, we give similar results even for non-uniform samples, with a less explicit sequence of centring constants.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

Parameter regularization or allocation methods are effective in overcoming catastrophic forgetting in lifelong learning. However, they solve all tasks in a sequence uniformly and ignore the differences in the learning difficulty of different tasks. So parameter regularization methods face significant forgetting when learning a new task very different from learned tasks, and parameter allocation methods face unnecessary parameter overhead when learning simple tasks. In this paper, we propose the Parameter Allocation & Regularization (PAR), which adaptively select an appropriate strategy for each task from parameter allocation and regularization based on its learning difficulty. A task is easy for a model that has learned tasks related to it and vice versa. We propose a divergence estimation method based on the Nearest-Prototype distance to measure the task relatedness using only features of the new task. Moreover, we propose a time-efficient relatedness-aware sampling-based architecture search strategy to reduce the parameter overhead for allocation. Experimental results on multiple benchmarks demonstrate that, compared with SOTAs, our method is scalable and significantly reduces the model's redundancy while improving the model's performance. Further qualitative analysis indicates that PAR obtains reasonable task-relatedness.

In this paper we address issues with image retrieval benchmarking on standard and popular Oxford 5k and Paris 6k datasets. In particular, annotation errors, the size of the dataset, and the level of challenge are addressed: new annotation for both datasets is created with an extra attention to the reliability of the ground truth. Three new protocols of varying difficulty are introduced. The protocols allow fair comparison between different methods, including those using a dataset pre-processing stage. For each dataset, 15 new challenging queries are introduced. Finally, a new set of 1M hard, semi-automatically cleaned distractors is selected. An extensive comparison of the state-of-the-art methods is performed on the new benchmark. Different types of methods are evaluated, ranging from local-feature-based to modern CNN based methods. The best results are achieved by taking the best of the two worlds. Most importantly, image retrieval appears far from being solved.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

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

With the success of pretraining techniques in representation learning, a number of continual learning methods based on pretrained models have been proposed. Some of these methods design continual learning mechanisms on the pre-trained representations and only allow minimum updates or even no updates of the backbone models during the training of continual learning. In this paper, we question whether the complexity of these models is needed to achieve good performance by comparing them to a simple baseline that we designed. We argue that the pretrained feature extractor itself can be strong enough to achieve a competitive or even better continual learning performance on Split-CIFAR100 and CoRe 50 benchmarks. To validate this, we conduct a very simple baseline that 1) use the frozen pretrained model to extract image features for every class encountered during the continual learning stage and compute their corresponding mean features on training data, and 2) predict the class of the input based on the nearest neighbor distance between test samples and mean features of the classes; i.e., Nearest Mean Classifier (NMC). This baseline is single-headed, exemplar-free, and can be task-free (by updating the means continually). This baseline achieved 88.53% on 10-Split-CIFAR-100, surpassing most state-of-the-art continual learning methods that are all initialized using the same pretrained transformer model. We hope our baseline may encourage future progress in designing learning systems that can continually add quality to the learning representations even if they started from some pretrained weights.

Catastrophic forgetting; the loss of old knowledge upon acquiring new knowledge, is a pitfall faced by deep neural networks in real-world applications. Many prevailing solutions to this problem rely on storing exemplars (previously encountered data), which may not be feasible in applications with memory limitations or privacy constraints. Therefore, the recent focus has been on Non-Exemplar based Class Incremental Learning (NECIL) where a model incrementally learns about new classes without using any past exemplars. However, due to the lack of old data, NECIL methods struggle to discriminate between old and new classes causing their feature representations to overlap. We propose NAPA-VQ: Neighborhood Aware Prototype Augmentation with Vector Quantization, a framework that reduces this class overlap in NECIL. We draw inspiration from Neural Gas to learn the topological relationships in the feature space, identifying the neighboring classes that are most likely to get confused with each other. This neighborhood information is utilized to enforce strong separation between the neighboring classes as well as to generate old class representative prototypes that can better aid in obtaining a discriminative decision boundary between old and new classes. Our comprehensive experiments on CIFAR-100, TinyImageNet, and ImageNet-Subset demonstrate that NAPA-VQ outperforms the State-of-the-art NECIL methods by an average improvement of 5%, 2%, and 4% in accuracy and 10%, 3%, and 9% in forgetting respectively. Our code can be found in https://github.com/TamashaM/NAPA-VQ.git.

This paper presents a novel approach for similarity search with complex filtering capabilities on billion-scale datasets, optimized for CPU inference. Our method extends the classical IVF-Flat index structure to integrate multi-dimensional filters. The proposed algorithm combines dense embeddings with discrete filtering attributes, enabling fast retrieval in high-dimensional spaces. Designed specifically for CPU-based systems, our disk-based approach offers a cost-effective solution for large-scale similarity search. We demonstrate the effectiveness of our method through a case study, showcasing its potential for various practical uses.

In this work, we aim to connect two research areas: instruction models and retrieval-based models. While instruction-tuned Large Language Models (LLMs) excel at extracting information from text, they are not suitable for semantic retrieval. Similarity search over embedding vectors allows to index and query vectors, but the similarity reflected in the embedding is sub-optimal for many use cases. We identify the task of retrieving sentences based on abstract descriptions of their content. We demonstrate the inadequacy of current text embeddings and propose an alternative model that significantly improves when used in standard nearest neighbor search. The model is trained using positive and negative pairs sourced through prompting an a large language model (LLM). While it is easy to source the training material from an LLM, the retrieval task cannot be performed by the LLM directly. This demonstrates that data from LLMs can be used not only for distilling more efficient specialized models than the original LLM, but also for creating new capabilities not immediately possible using the original model.

Image geolocalization, inferring the geographic location of an image, is a challenging computer vision problem with many potential applications. The recent state-of-the-art approach to this problem is a deep image classification approach in which the world is spatially divided into cells and a deep network is trained to predict the correct cell for a given image. We propose to combine this approach with the original Im2GPS approach in which a query image is matched against a database of geotagged images and the location is inferred from the retrieved set. We estimate the geographic location of a query image by applying kernel density estimation to the locations of its nearest neighbors in the reference database. Interestingly, we find that the best features for our retrieval task are derived from networks trained with classification loss even though we do not use a classification approach at test time. Training with classification loss outperforms several deep feature learning methods (e.g. Siamese networks with contrastive of triplet loss) more typical for retrieval applications. Our simple approach achieves state-of-the-art geolocalization accuracy while also requiring significantly less training data.

Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.

Many recent efforts augment language models with retrieval, by adding retrieved data to the input context. For this approach to succeed, the retrieved data must be added at both training and test time. Moreover, as input length grows linearly with the size of retrieved data, cost in computation and memory grows quadratically for modern Transformers. To avoid these complications, we simply fine-tune the model on retrieved data at test time, using its standard training setup. We build a large-scale distributed index based on text embeddings of the Pile dataset. For each test input, our system retrieves its neighbors and fine-tunes the model on their text. Surprisingly, retrieving and training on as few as 20 neighbors, each for only one gradient iteration, drastically improves performance across more than 20 language modeling tasks in the Pile. For example, test-time training with nearest neighbors significantly narrows the performance gap between a small GPT-2 and a GPT-Neo model more than 10 times larger. Sufficient index quality and size, however, are necessary. Our work establishes a first baseline of test-time training for language modeling.