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CRPS-Optimal Binning for Univariate Conformal Regression

arXiv.org Machine Learning

We propose a method for non-parametric conditional distribution estimation based on partitioning covariate-sorted observations into contiguous bins and using the within-bin empirical CDF as the predictive distribution. Bin boundaries are chosen to minimise the total leave-one-out Continuous Ranked Probability Score (LOO-CRPS), which admits a closed-form cost function with $O(n^2 \log n)$ precomputation and $O(n^2)$ storage; the globally optimal $K$-partition is recovered by a dynamic programme in $O(n^2 K)$ time. Minimisation of within-sample LOO-CRPS turns out to be inappropriate for selecting $K$ as it results in in-sample optimism. We instead select $K$ by $K$-fold cross-validation of test CRPS, which yields a U-shaped criterion with a well-defined minimum. Having selected $K^*$ and fitted the full-data partition, we form two complementary predictive objects: the Venn prediction band and a conformal prediction set based on CRPS as the nonconformity score, which carries a finite-sample marginal coverage guarantee at any prescribed level $\varepsilon$. The conformal prediction is transductive and data-efficient, as all observations are used for both partitioning and p-value calculation, with no need to reserve a hold-out set. On real benchmarks against split-conformal competitors (Gaussian split conformal, CQR, CQR-QRF, and conformalized isotonic distributional regression), the method produces substantially narrower prediction intervals while maintaining near-nominal coverage.


Empirical Cumulative Distribution Function Clustering for LLM-based Agent System Analysis

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used as agents to solve complex tasks such as question answering (QA), scientific debate, and software development. A standard evaluation procedure aggregates multiple responses from LLM agents into a single final answer, often via majority voting, and compares it against reference answers. However, this process can obscure the quality and distributional characteristics of the original responses. In this paper, we propose a novel evaluation framework based on the empirical cumulative distribution function (ECDF) of cosine similarities between generated responses and reference answers. This enables a more nuanced assessment of response quality beyond exact match metrics. To analyze the response distributions across different agent configurations, we further introduce a clustering method for ECDFs using their distances and the $k$-medoids algorithm. Our experiments on a QA dataset demonstrate that ECDFs can distinguish between agent settings with similar final accuracies but different quality distributions. The clustering analysis also reveals interpretable group structures in the responses, offering insights into the impact of temperature, persona, and question topics.


PRIVET: Privacy Metric Based on Extreme Value Theory

arXiv.org Artificial Intelligence

Deep generative models are often trained on sensitive data, such as genetic sequences, health data, or more broadly, any copyrighted, licensed or protected content. This raises critical concerns around privacy-preserving synthetic data, and more specifically around privacy leakage, an issue closely tied to overfitting. Existing methods almost exclusively rely on global criteria to estimate the risk of privacy failure associated to a model, offering only quantitative non interpretable insights. The absence of rigorous evaluation methods for data privacy at the sample-level may hinder the practical deployment of synthetic data in real-world applications. Using extreme value statistics on nearest-neighbor distances, we propose PRIVET, a generic sample-based, modality-agnostic algorithm that assigns an individual privacy leak score to each synthetic sample. We empirically demonstrate that PRIVET reliably detects instances of memorization and privacy leakage across diverse data modalities, including settings with very high dimensionality, limited sample sizes such as genetic data and even under underfitting regimes. We compare our method to existing approaches under controlled settings and show its advantage in providing both dataset level and sample level assessments through qualitative and quantitative outputs. Additionally, our analysis reveals limitations in existing computer vision embeddings to yield perceptually meaningful distances when identifying near-duplicate samples.


An Equal-Probability Partition of the Sample Space: A Non-parametric Inference from Finite Samples

arXiv.org Machine Learning

This paper investigates what can be inferred about an arbitrary continuous probability distribution from a finite sample of $N$ observations drawn from it. The central finding is that the $N$ sorted sample points partition the real line into $N+1$ segments, each carrying an expected probability mass of exactly $1/(N+1)$. This non-parametric result, which follows from fundamental properties of order statistics, holds regardless of the underlying distribution's shape. This equal-probability partition yields a discrete entropy of $\log_2(N+1)$ bits, which quantifies the information gained from the sample and contrasts with Shannon's results for continuous variables. I compare this partition-based framework to the conventional ECDF and discuss its implications for robust non-parametric inference, particularly in density and tail estimation.


Measuring model variability using robust non-parametric testing

arXiv.org Machine Learning

Training a deep neural network often involves stochastic optimization, meaning each run will produce a different model. The seed used to initialize random elements of the optimization procedure heavily influences the quality of a trained model, which may be obscure from many commonly reported summary statistics, like accuracy. However, random seed is often not included in hyper-parameter optimization, perhaps because the relationship between seed and model quality is hard to describe. This work attempts to describe the relationship between deep net models trained with different random seeds and the behavior of the expected model. We adopt robust hypothesis testing to propose a novel summary statistic for network similarity, referred to as the $\alpha$-trimming level. We use the $\alpha$-trimming level to show that the empirical cumulative distribution function of an ensemble model created from a collection of trained models with different random seeds approximates the average of these functions as the number of models in the collection grows large. This insight provides guidance for how many random seeds should be sampled to ensure that an ensemble of these trained models is a reliable representative. We also show that the $\alpha$-trimming level is more expressive than different performance metrics like validation accuracy, churn, or expected calibration error when taken alone and may help with random seed selection in a more principled fashion. We demonstrate the value of the proposed statistic in real experiments and illustrate the advantage of fine-tuning over random seed with an experiment in transfer learning.


Better Understandings and Configurations in MaxSAT Local Search Solvers via Anytime Performance Analysis

arXiv.org Artificial Intelligence

Though numerous solvers have been proposed for the MaxSAT problem, and the benchmark environment such as MaxSAT Evaluations provides a platform for the comparison of the state-of-the-art solvers, existing assessments were usually evaluated based on the quality, e.g., fitness, of the best-found solutions obtained within a given running time budget. However, concerning solely the final obtained solutions regarding specific time budgets may restrict us from comprehending the behavior of the solvers along the convergence process. This paper demonstrates that Empirical Cumulative Distribution Functions can be used to compare MaxSAT local search solvers' anytime performance across multiple problem instances and various time budgets. The assessment reveals distinctions in solvers' performance and displays that the (dis)advantages of solvers adjust along different running times. This work also exhibits that the quantitative and high variance assessment of anytime performance can guide machines, i.e., automatic configurators, to search for better parameter settings. Our experimental results show that the hyperparameter optimization tool, i.e., SMAC, generally achieves better parameter settings of local search when using the anytime performance as the cost function, compared to using the fitness of the best-found solutions.


Detecting of multi-modality in probabilistic regression models

arXiv.org Artificial Intelligence

This paper focuses on building of models of stochastic systems with aleatoric uncertainty. The nature of the considered systems is such that the identical inputs can result in different outputs, i.e. the output is a random variable. The suggested in this paper algorithm targets an identification of multi-modal properties of the output distributions, even when they depend on the inputs and vary significantly throughout the dataset. This ability of the suggested method to recognise complex and not only bell-shaped distributions follows from its construction and is backed up by provided experimental results. In general, the suggested method belongs to the category of boosted ensemble learning techniques, where the single deterministic component can be an arbitrarily-chosen regression model. The algorithm does not require any special properties of the chosen regression model, other than having descriptive capabilities with some expected accuracy for the training data type.


ECOD: Unsupervised Outlier Detection Using Empirical Cumulative Distribution Functions

arXiv.org Machine Learning

Outlier detection refers to the identification of data points that deviate from a general data distribution. Existing unsupervised approaches often suffer from high computational cost, complex hyperparameter tuning, and limited interpretability, especially when working with large, high-dimensional datasets. To address these issues, we present a simple yet effective algorithm called ECOD (Empirical-Cumulative-distribution-based Outlier Detection), which is inspired by the fact that outliers are often the "rare events" that appear in the tails of a distribution. In a nutshell, ECOD first estimates the underlying distribution of the input data in a nonparametric fashion by computing the empirical cumulative distribution per dimension of the data. ECOD then uses these empirical distributions to estimate tail probabilities per dimension for each data point. Finally, ECOD computes an outlier score of each data point by aggregating estimated tail probabilities across dimensions. Our contributions are as follows: (1) we propose a novel outlier detection method called ECOD, which is both parameter-free and easy to interpret; (2) we perform extensive experiments on 30 benchmark datasets, where we find that ECOD outperforms 11 state-of-the-art baselines in terms of accuracy, efficiency, and scalability; and (3) we release an easy-to-use and scalable (with distributed support) Python implementation for accessibility and reproducibility.


Statistical Testing for Efficient Out of Distribution Detection in Deep Neural Networks

arXiv.org Machine Learning

Commonly, Deep Neural Networks (DNNs) generalize well on samples drawn from a distribution similar to that of the training set. However, DNNs' predictions are brittle and unreliable when the test samples are drawn from a dissimilar distribution. This presents a major concern for deployment in real-world applications, where such behavior may come at a great cost -- as in the case of autonomous vehicles or healthcare applications. This paper frames the Out Of Distribution (OOD) detection problem in DNN as a statistical hypothesis testing problem. Unlike previous OOD detection heuristics, our framework is guaranteed to maintain the false positive rate (detecting OOD as in-distribution) for test data. We build on this framework to suggest a novel OOD procedure based on low-order statistics. Our method achieves comparable or better than state-of-the-art results on well-accepted OOD benchmarks without retraining the network parameters -- and at a fraction of the computational cost.


The UU-test for Statistical Modeling of Unimodal Data

arXiv.org Machine Learning

Deciding on the unimodality of a dataset is an important problem in data analysis and statistical modeling. It allows to obtain knowledge about the structure of the dataset, ie. whether data points have been generated by a probability distribution with a single or more than one peaks. Such knowledge is very useful for several data analysis problems, such as for deciding on the number of clusters and determining unimodal projections. We propose a technique called UU-test (Unimodal Uniform test) to decide on the unimodality of a one-dimensional dataset. The method operates on the empirical cumulative density function (ecdf) of the dataset. It attempts to build a piecewise linear approximation of the ecdf that is unimodal and models the data sufficiently in the sense that the data corresponding to each linear segment follows the uniform distribution. A unique feature of this approach is that in the case of unimodality, it also provides a statistical model of the data in the form of a Uniform Mixture Model. We present experimental results in order to assess the ability of the method to decide on unimodality and perform comparisons with the well-known dip-test approach. In addition, in the case of unimodal datasets we evaluate the Uniform Mixture Models provided by the proposed method using the test set log-likelihood and the two-sample Kolmogorov-Smirnov (KS) test.