Conditional independence testing (CIT) is a common task in machine learning, e.g., for variable selection, and a main component of constraint-based causal discovery. While most current CIT approaches assume that all variables are numerical or all variables are categorical, many real-world applications involve mixed-type datasets that include numerical and categorical variables. Non-parametric CIT can be conducted using conditional mutual information (CMI) estimators combined with a local permutation scheme. Recently, two novel CMI estimators for mixed-type datasets based on k-nearest-neighbors (k-NN) have been proposed. As with any k-NN method, these estimators rely on the definition of a distance metric. One approach computes distances by a one-hot encoding of the categorical variables, essentially treating categorical variables as discrete-numerical, while the other expresses CMI by entropy terms where the categorical variables appear as conditions only. In this work, we study these estimators and propose a variation of the former approach that does not treat categorical variables as numeric. Our numerical experiments show that our variant detects dependencies more robustly across different data distributions and preprocessing types.

Cross-encoder models, which jointly encode and score a query-item pair, are prohibitively expensive for direct k-nearest neighbor (k-NN) search. Consequently, k-NN search typically employs a fast approximate retrieval (e.g. using BM25 or dual-encoder vectors), followed by reranking with a cross-encoder; however, the retrieval approximation often has detrimental recall regret. This problem is tackled by ANNCUR (Yadav et al., 2022), a recent work that employs a cross-encoder only, making search efficient using a relatively small number of anchor items, and a CUR matrix factorization. While ANNCUR's one-time selection of anchors tends to approximate the cross-encoder distances on average, doing so forfeits the capacity to accurately estimate distances to items near the query, leading to regret in the crucial end-task: recall of top-k items. In this paper, we propose ADACUR, a method that adaptively, iteratively, and efficiently minimizes the approximation error for the practically important top-k neighbors. It does so by iteratively performing k-NN search using the anchors available so far, then adding these retrieved nearest neighbors to the anchor set for the next round. Empirically, on multiple datasets, in comparison to previous traditional and state-of-the-art methods such as ANNCUR and dual-encoder-based retrieve-and-rerank, our proposed approach ADACUR consistently reduces recall error-by up to 70% on the important k = 1 setting-while using no more compute than its competitors.

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.

Single-cell RNA sequencing (scRNA-seq) is widely used to reveal heterogeneity in cells, which has given us insights into cell-cell communication, cell differentiation, and differential gene expression. However, analyzing scRNA-seq data is a challenge due to sparsity and the large number of genes involved. Therefore, dimensionality reduction and feature selection are important for removing spurious signals and enhancing downstream analysis. Traditional PCA, a main workhorse in dimensionality reduction, lacks the ability to capture geometrical structure information embedded in the data, and previous graph Laplacian regularizations are limited by the analysis of only a single scale. We propose a topological Principal Components Analysis (tPCA) method by the combination of persistent Laplacian (PL) technique and L$_{2,1}$ norm regularization to address multiscale and multiclass heterogeneity issues in data. We further introduce a k-Nearest-Neighbor (kNN) persistent Laplacian technique to improve the robustness of our persistent Laplacian method. The proposed kNN-PL is a new algebraic topology technique which addresses the many limitations of the traditional persistent homology. Rather than inducing filtration via the varying of a distance threshold, we introduced kNN-tPCA, where filtrations are achieved by varying the number of neighbors in a kNN network at each step, and find that this framework has significant implications for hyper-parameter tuning. We validate the efficacy of our proposed tPCA and kNN-tPCA methods on 11 diverse benchmark scRNA-seq datasets, and showcase that our methods outperform other unsupervised PCA enhancements from the literature, as well as popular Uniform Manifold Approximation (UMAP), t-Distributed Stochastic Neighbor Embedding (tSNE), and Projection Non-Negative Matrix Factorization (NMF) by significant margins.

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g., a neural network) by fitting the model's residuals with a k-nearest neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels, even when the base model has low capacity. We start by formulating a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over a base linear neural network. Then, we empirically show that ResMem consistently improves the test set generalization of the original prediction model across standard vision and natural language processing benchmarks.

The real-world deployment of an autonomous driving system requires its components to run on-board and in real-time, including the motion prediction module that predicts the future trajectories of surrounding traffic participants. Existing agent-centric methods have demonstrated outstanding performance on public benchmarks. However, they suffer from high computational overhead and poor scalability as the number of agents to be predicted increases. To address this problem, we introduce the K-nearest neighbor attention with relative pose encoding (KNARPE), a novel attention mechanism allowing the pairwise-relative representation to be used by Transformers. Then, based on KNARPE we present the Heterogeneous Polyline Transformer with Relative pose encoding (HPTR), a hierarchical framework enabling asynchronous token update during the online inference. By sharing contexts among agents and reusing the unchanged contexts, our approach is as efficient as scene-centric methods, while performing on par with state-of-the-art agent-centric methods. Experiments on Waymo and Argoverse-2 datasets show that HPTR achieves superior performance among end-to-end methods that do not apply expensive post-processing or model ensembling. The code is available at https://github.com/zhejz/HPTR.

k-nearest-neighbor machine translation (kNN-MT) boosts the translation quality of a pre-trained neural machine translation (NMT) model by utilizing translation examples during decoding. Translation examples are stored in a vector database, called a datastore, which contains one entry for each target token from the parallel data it is made from. Due to its size, it is computationally expensive both to construct and to retrieve examples from the datastore. In this paper, we present an efficient and extensible kNN-MT framework, knn-seq, for researchers and developers that is carefully designed to run efficiently, even with a billion-scale large datastore. knn-seq is developed as a plug-in on fairseq and easy to switch models and kNN indexes. Experimental results show that our implemented kNN-MT achieves a comparable gain to the original kNN-MT, and the billion-scale datastore construction took 2.21 hours in the WMT'19 German-to-English translation task. We publish our knn-seq as an MIT-licensed open-source project and the code is available on https://github.com/naist-nlp/knn-seq . The demo video is available on https://youtu.be/zTDzEOq80m0 .

We initiate a novel approach to explain the out of sample performance of random forest (RF) models by exploiting the fact that any RF can be formulated as an adaptive weighted K nearest-neighbors model. Specifically, we use the proximity between points in the feature space learned by the RF to re-write random forest predictions exactly as a weighted average of the target labels of training data points. This linearity facilitates a local notion of explainability of RF predictions that generates attributions for any model prediction across observations in the training set, and thereby complements established methods like SHAP, which instead generates attributions for a model prediction across dimensions of the feature space. We demonstrate this approach in the context of a bond pricing model trained on US corporate bond trades, and compare our approach to various existing approaches to model explainability.

The ability to detect intent in dialogue systems has become increasingly important in modern technology. These systems often generate a large amount of unlabeled data, and manually labeling this data requires substantial human effort. Semi-supervised methods attempt to remedy this cost by using a model trained on a few labeled examples and then by assigning pseudo-labels to further a subset of unlabeled examples that has a model prediction confidence higher than a certain threshold. However, one particularly perilous consequence of these methods is the risk of picking an imbalanced set of examples across classes, which could lead to poor labels. In the present work, we describe Top-K K-Nearest Neighbor (TK-KNN), which uses a more robust pseudo-labeling approach based on distance in the embedding space while maintaining a balanced set of pseudo-labeled examples across classes through a ranking-based approach. Experiments on several datasets show that TK-KNN outperforms existing models, particularly when labeled data is scarce on popular datasets such as CLINC150 and Banking77. Code is available at https://github.com/ServiceNow/tk-knn

Telehealth is a valuable tool for primary health care (PHC), where depression is a common condition. PHC is the first point of contact for most people with depression, but about 25% of diagnoses made by PHC physicians are inaccurate. Many other barriers also hinder depression detection and treatment in PHC. Artificial intelligence (AI) may help reduce depression misdiagnosis in PHC and improve overall diagnosis and treatment outcomes. Telehealth consultations often have video issues, such as poor connectivity or dropped calls. Audio-only telehealth is often more practical for lower-income patients who may lack stable internet connections. Thus, our study focused on using audio data to predict depression risk. The objectives were to: 1) Collect audio data from 24 people (12 with depression and 12 without mental health or major health condition diagnoses); 2) Build a machine learning model to predict depression risk. TPOT, an autoML tool, was used to select the best machine learning algorithm, which was the K-nearest neighbors classifier. The selected model had high performance in classifying depression risk (Precision: 0.98, Recall: 0.93, F1-Score: 0.96). These findings may lead to a range of tools to help screen for and treat depression. By developing tools to detect depression risk, patients can be routed to AI-driven chatbots for initial screenings. Partnerships with a range of stakeholders are crucial to implementing these solutions. Moreover, ethical considerations, especially around data privacy and potential biases in AI models, need to be at the forefront of any AI-driven intervention in mental health care.