Statistical Learning
Integrating Expert Judgment and Algorithmic Decision Making: An Indistinguishability Framework
Alur, Rohan, Laine, Loren, Li, Darrick K., Shung, Dennis, Raghavan, Manish, Shah, Devavrat
We introduce a novel framework for human-AI collaboration in prediction and decision tasks. Our approach leverages human judgment to distinguish inputs which are algorithmically indistinguishable, or "look the same" to any feasible predictive algorithm. We argue that this framing clarifies the problem of human-AI collaboration in prediction and decision tasks, as experts often form judgments by drawing on information which is not encoded in an algorithm's training data. Algorithmic indistinguishability yields a natural test for assessing whether experts incorporate this kind of "side information", and further provides a simple but principled method for selectively incorporating human feedback into algorithmic predictions. We show that this method provably improves the performance of any feasible algorithmic predictor and precisely quantify this improvement. We demonstrate the utility of our framework in a case study of emergency room triage decisions, where we find that although algorithmic risk scores are highly competitive with physicians, there is strong evidence that physician judgments provide signal which could not be replicated by any predictive algorithm. This insight yields a range of natural decision rules which leverage the complementary strengths of human experts and predictive algorithms.
GPTreeO: An R package for continual regression with dividing local Gaussian processes
Braun, Timo, Kvellestad, Anders, De Bin, Riccardo
We introduce GPTreeO, a flexible R package for scalable Gaussian process (GP) regression, particularly tailored to continual learning problems. GPTreeO builds upon the Dividing Local Gaussian Processes (DLGP) algorithm, in which a binary tree of local GP regressors is dynamically constructed using a continual stream of input data. In GPTreeO we extend the original DLGP algorithm by allowing continual optimisation of the GP hyperparameters, incorporating uncertainty calibration, and introducing new strategies for how the local partitions are created. Moreover, the modular code structure allows users to interface their favourite GP library to perform the local GP regression in GPTreeO. The flexibility of GPTreeO gives the user fine-grained control of the balance between computational speed, accuracy, stability and smoothness. We conduct a sensitivity analysis to show how GPTreeO's configurable features impact the regression performance in a continual learning setting.
Advancing RVFL networks: Robust classification with the HawkEye loss function
Akhtar, Mushir, Mishra, Ritik, Tanveer, M., Arshad, Mohd.
Random vector functional link (RVFL), a variant of single-layer feedforward neural network (SLFN), has garnered significant attention due to its lower computational cost and robustness to overfitting. Despite its advantages, the RVFL network's reliance on the square error loss function makes it highly sensitive to outliers and noise, leading to degraded model performance in real-world applications. To remedy it, we propose the incorporation of the HawkEye loss (H-loss) function into the RVFL framework. The H-loss function features nice mathematical properties, including smoothness and boundedness, while simultaneously incorporating an insensitive zone. Each characteristic brings its own advantages: 1) Boundedness limits the impact of extreme errors, enhancing robustness against outliers; 2) Smoothness facilitates the use of gradient-based optimization algorithms, ensuring stable and efficient convergence; and 3) The insensitive zone mitigates the effect of minor discrepancies and noise. Leveraging the H-loss function, we embed it into the RVFL framework and develop a novel robust RVFL model termed H-RVFL. Notably, this work addresses a significant gap, as no bounded loss function has been incorporated into RVFL to date. The non-convex optimization of the proposed H-RVFL is effectively addressed by the Nesterov accelerated gradient (NAG) algorithm, whose computational complexity is also discussed. The proposed H-RVFL model's effectiveness is validated through extensive experiments on $40$ benchmark datasets from UCI and KEEL repositories, with and without label noise. The results highlight significant improvements in robustness and efficiency, establishing the H-RVFL model as a powerful tool for applications in noisy and outlier-prone environments.
From Gradient Clipping to Normalization for Heavy Tailed SGD
Hรผbler, Florian, Fatkhullin, Ilyas, He, Niao
Recent empirical evidence indicates that many machine learning applications involve heavy-tailed gradient noise, which challenges the standard assumptions of bounded variance in stochastic optimization. Gradient clipping has emerged as a popular tool to handle this heavy-tailed noise, as it achieves good performance in this setting both theoretically and practically. However, our current theoretical understanding of non-convex gradient clipping has three main shortcomings. First, the theory hinges on large, increasing clipping thresholds, which are in stark contrast to the small constant clipping thresholds employed in practice. Second, clipping thresholds require knowledge of problem-dependent parameters to guarantee convergence. Lastly, even with this knowledge, current sampling complexity upper bounds for the method are sub-optimal in nearly all parameters. To address these issues, we study convergence of Normalized SGD (NSGD). First, we establish a parameter-free sample complexity for NSGD of $\mathcal{O}\left(\varepsilon^{-\frac{2p}{p-1}}\right)$ to find an $\varepsilon$-stationary point. Furthermore, we prove tightness of this result, by providing a matching algorithm-specific lower bound. In the setting where all problem parameters are known, we show this complexity is improved to $\mathcal{O}\left(\varepsilon^{-\frac{3p-2}{p-1}}\right)$, matching the previously known lower bound for all first-order methods in all problem dependent parameters. Finally, we establish high-probability convergence of NSGD with a mild logarithmic dependence on the failure probability. Our work complements the studies of gradient clipping under heavy tailed noise improving the sample complexities of existing algorithms and offering an alternative mechanism to achieve high probability convergence.
Change Detection in Multivariate data streams: Online Analysis with Kernel-QuantTree
Notarianni, Michelangelo Olmo Nogara, Leveni, Filippo, Stucchi, Diego, Frittoli, Luca, Boracchi, Giacomo
We present Kernel-QuantTree Exponentially Weighted Moving Average (KQT-EWMA), a non-parametric change-detection algorithm that combines the Kernel-QuantTree (KQT) histogram and the EWMA statistic to monitor multivariate data streams online. The resulting monitoring scheme is very flexible, since histograms can be used to model any stationary distribution, and practical, since the distribution of test statistics does not depend on the distribution of datastream in stationary conditions (non-parametric monitoring). KQT-EWMA enables controlling false alarms by operating at a pre-determined Average Run Length ($ARL_0$), which measures the expected number of stationary samples to be monitored before triggering a false alarm. The latter peculiarity is in contrast with most non-parametric change-detection tests, which rarely can control the $ARL_0$ a priori. Our experiments on synthetic and real-world datasets demonstrate that KQT-EWMA can control $ARL_0$ while achieving detection delays comparable to or lower than state-of-the-art methods designed to work in the same conditions.
Supervised Kernel Thinning
Gong, Albert, Choi, Kyuseong, Dwivedi, Raaz
The kernel thinning algorithm of Dwivedi & Mackey (2024) provides a better-than-i.i.d. compression of a generic set of points. By generating high-fidelity coresets of size significantly smaller than the input points, KT is known to speed up unsupervised tasks like Monte Carlo integration, uncertainty quantification, and non-parametric hypothesis testing, with minimal loss in statistical accuracy. In this work, we generalize the KT algorithm to speed up supervised learning problems involving kernel methods. Specifically, we combine two classical algorithms--Nadaraya-Watson (NW) regression or kernel smoothing, and kernel ridge regression (KRR)--with KT to provide a quadratic speed-up in both training and inference times. We show how distribution compression with KT in each setting reduces to constructing an appropriate kernel, and introduce the Kernel-Thinned NW and Kernel-Thinned KRR estimators. We prove that KT-based regression estimators enjoy significantly superior computational efficiency over the full-data estimators and improved statistical efficiency over i.i.d. subsampling of the training data. En route, we also provide a novel multiplicative error guarantee for compressing with KT. We validate our design choices with both simulations and real data experiments.
Ab initio nonparametric variable selection for scalable Symbolic Regression with large $p$
Symbolic regression (SR) is a powerful technique for discovering symbolic expressions that characterize nonlinear relationships in data, gaining increasing attention for its interpretability, compactness, and robustness. However, existing SR methods do not scale to datasets with a large number of input variables (referred to as extreme-scale SR), which are common in modern scientific applications. This ``large $p$'' setting, often accompanied by measurement error, leads to slow performance of SR methods and overly complex expressions that are difficult to interpret. To address this scalability challenge, we propose a method called PAN+SR, which combines a key idea of ab initio nonparametric variable selection with SR to efficiently pre-screen large input spaces and reduce search complexity while maintaining accuracy. The use of nonparametric methods eliminates model misspecification, supporting a strategy called parametric-assisted nonparametric (PAN). We also extend SRBench, an open-source benchmarking platform, by incorporating high-dimensional regression problems with various signal-to-noise ratios. Our results demonstrate that PAN+SR consistently enhances the performance of 17 contemporary SR methods, enabling several to achieve state-of-the-art performance on these challenging datasets.
On uniqueness of the set of k-means
Cรกrcamo, Javier, Cuevas, Antonio, Rodrรญguez, Luis A.
We provide necessary and sufficient conditions for the uniqueness of the k-means set of a probability distribution. This uniqueness problem is related to the choice of k: depending on the underlying distribution, some values of this parameter could lead to multiple sets of k-means, which hampers the interpretation of the results and/or the stability of the algorithms. We give a general assessment on consistency of the empirical k-means adapted to the setting of non-uniqueness and determine the asymptotic distribution of the within cluster sum of squares (WCSS). We also provide statistical characterizations of k-means uniqueness in terms of the asymptotic behavior of the empirical WCSS. As a consequence, we derive a bootstrap test for uniqueness of the set of k-means. The results are illustrated with examples of different types of non-uniqueness and we check by simulations the performance of the proposed methodology.
Fast Estimation of Partial Dependence Functions using Trees
Liu, Jinyang, Steensgaard, Tessa, Wright, Marvin N., Pfister, Niklas, Hiabu, Munir
Many existing interpretation methods are based on Partial Dependence (PD) functions that, for a pre-trained machine learning model, capture how a subset of the features affects the predictions by averaging over the remaining features. Notable methods include Shapley additive explanations (SHAP) which computes feature contributions based on a game theoretical interpretation and PD plots (i.e., 1-dim PD functions) that capture average marginal main effects. Recent work has connected these approaches using a functional decomposition and argues that SHAP values can be misleading since they merge main and interaction effects into a single local effect. A major advantage of SHAP compared to other PD-based interpretations, however, has been the availability of fast estimation techniques, such as \texttt{TreeSHAP}. In this paper, we propose a new tree-based estimator, \texttt{FastPD}, which efficiently estimates arbitrary PD functions. We show that \texttt{FastPD} consistently estimates the desired population quantity -- in contrast to path-dependent \texttt{TreeSHAP} which is inconsistent when features are correlated. For moderately deep trees, \texttt{FastPD} improves the complexity of existing methods from quadratic to linear in the number of observations. By estimating PD functions for arbitrary feature subsets, \texttt{FastPD} can be used to extract PD-based interpretations such as SHAP, PD plots and higher order interaction effects.
Generalization Error of the Tilted Empirical Risk
Aminian, Gholamali, Asadi, Amir R., Li, Tian, Beirami, Ahmad, Reinert, Gesine, Cohen, Samuel N.
The generalization error (risk) of a supervised statistical learning algorithm quantifies its prediction ability on previously unseen data. Inspired by exponential tilting, Li et al. (2021) proposed the tilted empirical risk as a non-linear risk metric for machine learning applications such as classification and regression problems. In this work, we examine the generalization error of the tilted empirical risk. In particular, we provide uniform and information-theoretic bounds on the tilted generalization error, defined as the difference between the population risk and the tilted empirical risk, with a convergence rate of $O(1/\sqrt{n})$ where $n$ is the number of training samples. Furthermore, we study the solution to the KL-regularized expected tilted empirical risk minimization problem and derive an upper bound on the expected tilted generalization error with a convergence rate of $O(1/n)$.