Nearest Neighbor Methods
Adversarial Examples for k-Nearest Neighbor Classifiers Based on Higher-Order Voronoi Diagrams
Adversarial examples are a widely studied phenomenon in machine learning models. While most of the attention has been focused on neural networks, other practical models also suffer from this issue. In this work, we propose an algorithm for evaluating the adversarial robustness of $k$-nearest neighbor classification, i.e., finding a minimum-norm adversarial example. Diverging from previous proposals, we propose the first geometric approach by performing a search that expands outwards from a given input point. On a high level, the search radius expands to the nearby higher-order Voronoi cells until we find a cell that classifies differently from the input point. To scale the algorithm to a large $k$, we introduce approximation steps that find perturbation with smaller norm, compared to the baselines, in a variety of datasets. Furthermore, we analyze the structural properties of a dataset where our approach outperforms the competition.
On Convergence of Nearest Neighbor Classifiers over Feature Transformations
The k-Nearest Neighbors (kNN) classifier is a fundamental non-parametric machine learning algorithm. However, it is well known that it suffers from the curse of dimensionality, which is why in practice one often applies a kNN classifier on top of a (pre-trained) feature transformation. From a theoretical perspective, most, if not all theoretical results aimed at understanding the kNN classifier are derived for the raw feature space. This leads to an emerging gap between our theoretical understanding of kNN and its practical applications. In this paper, we take a first step towards bridging this gap.
No Train, all Gain: Self-Supervised Gradients Improve Deep Frozen Representations
Our method is simple: given any pretrained model, we first compute gradients from various self-supervised objectives for each input. These gradients are projected to a lower dimension and then concatenated with the model's output embedding. The resulting features are evaluated on k-nearest neighbor classification over 11 datasets from vision, 5 from natural language processing, and 2 from audio. Across backbones spanning various sizes and pretraining strategies, FUNGI features provide consistent performance improvements over the embeddings. We also show that using FUNGI features can benefit linear classification, clustering and image retrieval, and that they significantly improve the retrieval-based in-context scene understanding abilities of pretrained models, for example improving upon DINO by +17% for semantic segmentation - without any training.
- Information Technology > Artificial Intelligence > Natural Language (0.98)
- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning > Nearest Neighbor Methods (0.61)
Meta-Neighborhoods
Making an adaptive prediction based on input is an important ability for general artificial intelligence. In this work, we step forward in this direction and propose a semi-parametric method, Meta-Neighborhoods, where predictions are made adaptively to the neighborhood of the input. We show that Meta-Neighborhoods is a generalization of k-nearest-neighbors. Due to the simpler manifold structure around a local neighborhood, Meta-Neighborhoods represent the predictive distribution p(y | x) more accurately. To reduce memory and computation overheads, we propose induced neighborhoods that summarize the training data into a much smaller dictionary. A meta-learning based training mechanism is then exploited to jointly learn the induced neighborhoods and the model. Extensive studies demonstrate the superiority of our method.
Continuous Partitioning for Graph-Based Semi-Supervised Learning
Laplace learning algorithms for graph-based semi-supervised learning have been shown to produce degenerate predictions at low label rates and in imbalanced class regimes, particularly near class boundaries. We propose CutSSL: a framework for graph-based semi-supervised learning based on continuous nonconvex quadratic programming, which provably obtains \emph{integer} solutions. Our framework is naturally motivated by an \emph{exact} quadratic relaxation of a cardinality-constrained minimum-cut graph partitioning problem. Furthermore, we show our formulation is related to an optimization problem whose approximate solution is the mean-shifted Laplace learning heuristic, thus providing new insight into the performance of this heuristic. We demonstrate that CutSSL significantly surpasses the current state-of-the-art on k-nearest neighbor graphs and large real-world graph benchmarks across a variety of label rates, class imbalance, and label imbalance regimes.
- Information Technology > Artificial Intelligence > Representation & Reasoning > Optimization (0.61)
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DW-KNN: A Transparent Local Classifier Integrating Distance Consistency and Neighbor Reliability
Pathak, Kumarjit, K, Karthik, Madan, Sachin, Kapila, Jitin
K-Nearest Neighbors (KNN) is one of the most used ML classifiers. However, if we observe closely, standard distance-weighted KNN and relative variants assume all 'k' neighbors are equally reliable. In heterogeneous feature space, this becomes a limitation that hinders reliability in predicting true levels of the observation. We propose DW-KNN (Double Weighted KNN), a transparent and robust variant that integrates exponential distance with neighbor validity. This enables instance-level interpretability, suppresses noisy or mislabeled samples, and reduces hyperparameter sensitivity. Comprehensive evaluation on 9 data-sets helps to demonstrate that DW-KNN achieves 0.8988 accuracy on average. It ranks 2nd among six methods and within 0.2% of the best-performing Ensemble KNN. It also exhibits the lowest cross-validation variance (0.0156), indicating reliable prediction stability. Statistical significance test confirmed ($p < 0.001$) improvement over compactness weighted KNN (+4.09\%) and Kernel weighted KNN (+1.13\%). The method provides a simple yet effective alternative to complex adaptive schemes, particularly valuable for high-stakes applications requiring explainable predictions.
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- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning > Nearest Neighbor Methods (0.91)
Q-Sat AI: Machine Learning-Based Decision Support for Data Saturation in Qualitative Studies
Tutar, Hasan, Erden, Caner, Şentürk, Ümit
The determination of sample size in qualitative research has traditionally relied on the subjective and often ambiguous principle of data saturation, which can lead to inconsistencies and threaten methodological rigor. This study introduces a new, systematic model based on machine learning (ML) to make this process more objective. Utilizing a dataset derived from five fundamental qualitative research approaches - namely, Case Study, Grounded Theory, Phenomenology, Narrative Research, and Ethnographic Research - we developed an ensemble learning model. Ten critical parameters, including research scope, information power, and researcher competence, were evaluated using an ordinal scale and used as input features. After thorough preprocessing and outlier removal, multiple ML algorithms were trained and compared. The K-Nearest Neighbors (KNN), Gradient Boosting (GB), Random Forest (RF), XGBoost, and Decision Tree (DT) algorithms showed the highest explanatory power (Test R2 ~ 0.85), effectively modeling the complex, non-linear relationships involved in qualitative sampling decisions. Feature importance analysis confirmed the vital roles of research design type and information power, providing quantitative validation of key theoretical assumptions in qualitative methodology. The study concludes by proposing a conceptual framework for a web-based computational application designed to serve as a decision support system for qualitative researchers, journal reviewers, and thesis advisors. This model represents a significant step toward standardizing sample size justification, enhancing transparency, and strengthening the epistemological foundation of qualitative inquiry through evidence-based, systematic decision-making.
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- Information Technology > Artificial Intelligence > Machine Learning > Statistical Learning > Nearest Neighbor Methods (0.68)
Freeze, Diffuse, Decode: Geometry-Aware Adaptation of Pretrained Transformer Embeddings for Antimicrobial Peptide Design
Gawade, Pankhil, Izdebski, Adam, Lizotte, Myriam, Moon, Kevin R., Rhodes, Jake S., Wolf, Guy, Szczurek, Ewa
Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies: fine-tuning and probing, either distort the pretrained geometric structure of the embeddings or lack sufficient expressivity to capture task-relevant signals. These issues become even more pronounced when supervised data are scarce. Here, we introduce Freeze, Diffuse, Decode (FDD), a novel diffusion-based framework that adapts pre-trained embeddings to downstream tasks while preserving their underlying geometric structure. FDD propagates supervised signal along the intrinsic manifold of frozen embeddings, enabling a geometry-aware adaptation of the embedding space. Applied to antimicrobial peptide design, FDD yields low-dimensional, predictive, and interpretable representations that support property prediction, retrieval, and latent-space interpolation.
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The Generalized Proximity Forest
Shaw, Ben, Rustad, Adam, Maia, Sofia Pelagalli, Rhodes, Jake S., Moon, Kevin R.
Abstract--Recent work has demonstrated the utility of Random Forest (RF) proximities for various supervised machine learning tasks, including outlier detection, missing data imputation, and visualization. However, the utility of the RF proximities depends upon the success of the RF model, which itself is not the ideal model in all contexts. RF proximities have recently been extended to time series by means of the distance-based Proximity Forest (PF) model, among others, affording time series analysis with the benefits of RF proximities. In this work, we introduce the generalized PF model, thereby extending RF proximities to all contexts in which supervised distance-based machine learning can occur . Additionally, we introduce a variant of the PF model for regression tasks. We also introduce the notion of using the generalized PF model as a meta-learning framework, extending supervised imputation capability to any pre-trained classifier . We experimentally demonstrate the unique advantages of the generalized PF model compared with both the RF model and the k-nearest neighbors model.
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Practical Machine Learning for Aphasic Discourse Analysis
Pittman, Jason M., Phillips, Anton Jr., Medina-Santos, Yesenia, Stark, Brielle C.
Analyzing spoken discourse is a valid means of quantifying language ability in persons with aphasia. There are many ways to quantify discourse, one common way being to evaluate the informativeness of the discourse. That is, given the total number of words produced, how many of those are context-relevant and accurate. This type of analysis is called Correct Information Unit (CIU) analysis and is one of the most prevalent discourse analyses used by speech-language pathologists (SLPs). Despite this, CIU analysis in the clinic remains limited due to the manual labor needed by SLPs to code and analyze collected speech. Recent advances in machine learning (ML) seek to augment such labor by automating modeling of propositional, macrostructural, pragmatic, and multimodal dimensions of discourse. To that end, this study evaluated five ML models for reliable identification of Correct Information Units (CIUs, Nicholas & Brookshire, 1993), during a picture description task. The five supervised ML models were trained using randomly selected human-coded transcripts and accompanying words and CIUs from persons with aphasia. The baseline model training produced a high accuracy across transcripts for word vs non-word, with all models achieving near perfect performance (0.995) with high AUC range (0.914 min, 0.995 max). In contrast, CIU vs non-CIU showed a greater variability, with the k-nearest neighbor (k-NN) model the highest accuracy (0.824) and second highest AUC (0.787). These findings indicate that while the supervised ML models can distinguish word from not word, identifying CIUs is challenging.
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- Information Technology > Artificial Intelligence > Natural Language > Discourse & Dialogue (1.00)
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