Statistical Learning
A qualitative difference between gradient flows of convex functions in finite- and infinite-dimensional Hilbert spaces
Siegel, Jonathan W., Wojtowytsch, Stephan
We consider gradient flow/gradient descent and heavy ball/accelerated gradient descent optimization for convex objective functions. In the gradient flow case, we prove the following: 1. If $f$ does not have a minimizer, the convergence $f(x_t)\to \inf f$ can be arbitrarily slow. 2. If $f$ does have a minimizer, the excess energy $f(x_t) - \inf f$ is integrable/summable in time. In particular, $f(x_t) - \inf f = o(1/t)$ as $t\to\infty$. 3. In Hilbert spaces, this is optimal: $f(x_t) - \inf f$ can decay to $0$ as slowly as any given function which is monotone decreasing and integrable at $\infty$, even for a fixed quadratic objective. 4. In finite dimension (or more generally, for all gradient flow curves of finite length), this is not optimal: We prove that there are convex monotone decreasing integrable functions $g(t)$ which decrease to zero slower than $f(x_t)-\inf f$ for the gradient flow of any convex function on $\mathbb R^d$. For instance, we show that any gradient flow $x_t$ of a convex function $f$ in finite dimension satisfies $\liminf_{t\to\infty} \big(t\cdot \log^2(t)\cdot \big\{f(x_t) -\inf f\big\}\big)=0$. This improves on the commonly reported $O(1/t)$ rate and provides a sharp characterization of the energy decay law. We also note that it is impossible to establish a rate $O(1/(t\phi(t))$ for any function $\phi$ which satisfies $\lim_{t\to\infty}\phi(t) = \infty$, even asymptotically. Similar results are obtained in related settings for (1) discrete time gradient descent, (2) stochastic gradient descent with multiplicative noise and (3) the heavy ball ODE. In the case of stochastic gradient descent, the summability of $\mathbb E[f(x_n) - \inf f]$ is used to prove that $f(x_n)\to \inf f$ almost surely - an improvement on the convergence almost surely up to a subsequence which follows from the $O(1/n)$ decay estimate.
Convergence of flow-based generative models via proximal gradient descent in Wasserstein space
Cheng, Xiuyuan, Lu, Jianfeng, Tan, Yixin, Xie, Yao
Flow-based generative models enjoy certain advantages in computing the data generation and the likelihood, and have recently shown competitive empirical performance. Compared to the accumulating theoretical studies on related score-based diffusion models, analysis of flow-based models, which are deterministic in both forward (data-to-noise) and reverse (noise-to-data) directions, remain sparse. In this paper, we provide a theoretical guarantee of generating data distribution by a progressive flow model, the so-called JKO flow model, which implements the Jordan-Kinderleherer-Otto (JKO) scheme in a normalizing flow network. Leveraging the exponential convergence of the proximal gradient descent (GD) in Wasserstein space, we prove the Kullback-Leibler (KL) guarantee of data generation by a JKO flow model to be $O(\varepsilon^2)$ when using $N \lesssim \log (1/\varepsilon)$ many JKO steps ($N$ Residual Blocks in the flow) where $\varepsilon $ is the error in the per-step first-order condition. The assumption on data density is merely a finite second moment, and the theory extends to data distributions without density and when there are inversion errors in the reverse process where we obtain KL-$W_2$ mixed error guarantees. The non-asymptotic convergence rate of the JKO-type $W_2$-proximal GD is proved for a general class of convex objective functionals that includes the KL divergence as a special case, which can be of independent interest.
Instability of computer vision models is a necessary result of the task itself
Turnbull, Oliver, Cevora, George
Adversarial examples resulting from instability of current computer vision models are an extremely important topic due to their potential to compromise any application. In this paper we demonstrate that instability is inevitable due to a) symmetries (translational invariance) of the data, b) the categorical nature of the classification task, and c) the fundamental discrepancy of classifying images as objects themselves. The issue is further exacerbated by non-exhaustive labelling of the training data. Therefore we conclude that instability is a necessary result of how the problem of computer vision is currently formulated. While the problem cannot be eliminated, through the analysis of the causes, we have arrived at ways how it can be partially alleviated. These include i) increasing the resolution of images, ii) providing contextual information for the image, iii) exhaustive labelling of training data, and iv) preventing attackers from frequent access to the computer vision system.
A Challenge in Reweighting Data with Bilevel Optimization
Ivanova, Anastasia, Ablin, Pierre
In many practical learning scenarios, there is a discrepancy between the training and testing distribution. For instance, when training large language models, we may have access to a training set that contains many low-quality data points from different sources and want to train a model on this dataset to perform well on a testing set that contains a few high-quality points [7, 3, 18]. An appealing way to solve this problem is data reweighting [21, 23, 26], where one attributes one weight to each data point in the training set. The weight of a training sample should reflect how much this sample resembles the testing set and helps the model perform well on it. Figure 1 illustrates the general principle. Learning the optimal weights can be cast as a bilevel optimization problem [9], where the optimal weights are such that training the model with these weights leads to the smallest test loss possible. The weights are usually constrained to sum to one, leading to an optimization problem on the simplex, which is usually solved with mirror descent [19].
Large-Scale Gaussian Processes via Alternating Projection
Wu, Kaiwen, Wenger, Jonathan, Jones, Haydn, Pleiss, Geoff, Gardner, Jacob R.
Gaussian process (GP) hyperparameter optimization requires repeatedly solving linear systems with $n \times n$ kernel matrices. To address the prohibitive $\mathcal{O}(n^3)$ time complexity, recent work has employed fast iterative numerical methods, like conjugate gradients (CG). However, as datasets increase in magnitude, the corresponding kernel matrices become increasingly ill-conditioned and still require $\mathcal{O}(n^2)$ space without partitioning. Thus, while CG increases the size of datasets GPs can be trained on, modern datasets reach scales beyond its applicability. In this work, we propose an iterative method which only accesses subblocks of the kernel matrix, effectively enabling \emph{mini-batching}. Our algorithm, based on alternating projection, has $\mathcal{O}(n)$ per-iteration time and space complexity, solving many of the practical challenges of scaling GPs to very large datasets. Theoretically, we prove our method enjoys linear convergence and empirically we demonstrate its robustness to ill-conditioning. On large-scale benchmark datasets up to four million datapoints our approach accelerates training by a factor of 2$\times$ to 27$\times$ compared to CG.
Assessing the overall and partial causal well-specification of nonlinear additive noise models
Schultheiss, Christoph, Bühlmann, Peter
Nonlinear additive noise models and their heteroscedastic extensions are a popular modelling framework for causal discovery and inference. They allow to infer the true causal connections and effects from the multivariate distribution when the nonparametric model is correct; see, e.g., Hoyer et al. (2008); Peters et al. (2014) or, for heteroscedastic models, Strobl and Lasko (2023); Immer et al. (2023). However, the conclusions can be misleading if the additive noise model is misspecified, especially in the presence of hidden confounding variables. In this paper, we define the term "causal well-specification" of additive noise models, discuss its relevance, and finally present a corresponding estimation technique for observational data. The concept of well-specification for regression functionals in parametric regression was introduced by Buja et al. (2019).
Leveraging Ensemble Diversity for Robust Self-Training in the Presence of Sample Selection Bias
Odonnat, Ambroise, Feofanov, Vasilii, Redko, Ievgen
Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, despite the fact that they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called $\mathcal{T}$-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities.
Trajectory Alignment: Understanding the Edge of Stability Phenomenon via Bifurcation Theory
Cohen et al. (2021) empirically study the evolution of the largest eigenvalue of the loss Hessian, also known as sharpness, along the gradient descent (GD) trajectory and observe the Edge of Stability (EoS) phenomenon. The sharpness increases at the early phase of training (referred to as progressive sharpening), and eventually saturates close to the threshold of $2 / \text{(step size)}$. In this paper, we start by demonstrating through empirical studies that when the EoS phenomenon occurs, different GD trajectories (after a proper reparameterization) align on a specific bifurcation diagram independent of initialization. We then rigorously prove this trajectory alignment phenomenon for a two-layer fully-connected linear network and a single-neuron nonlinear network trained with a single data point. Our trajectory alignment analysis establishes both progressive sharpening and EoS phenomena, encompassing and extending recent findings in the literature.
Gaussian Membership Inference Privacy
Leemann, Tobias, Pawelczyk, Martin, Kasneci, Gjergji
We propose a novel and practical privacy notion called $f$-Membership Inference Privacy ($f$-MIP), which explicitly considers the capabilities of realistic adversaries under the membership inference attack threat model. Consequently, $f$-MIP offers interpretable privacy guarantees and improved utility (e.g., better classification accuracy). In particular, we derive a parametric family of $f$-MIP guarantees that we refer to as $\mu$-Gaussian Membership Inference Privacy ($\mu$-GMIP) by theoretically analyzing likelihood ratio-based membership inference attacks on stochastic gradient descent (SGD). Our analysis highlights that models trained with standard SGD already offer an elementary level of MIP. Additionally, we show how $f$-MIP can be amplified by adding noise to gradient updates. Our analysis further yields an analytical membership inference attack that offers two distinct advantages over previous approaches. First, unlike existing state-of-the-art attacks that require training hundreds of shadow models, our attack does not require any shadow model. Second, our analytical attack enables straightforward auditing of our privacy notion $f$-MIP. Finally, we quantify how various hyperparameters (e.g., batch size, number of model parameters) and specific data characteristics determine an attacker's ability to accurately infer a point's membership in the training set. We demonstrate the effectiveness of our method on models trained on vision and tabular datasets.
Plug-in Performative Optimization
When predictions are performative, the choice of which predictor to deploy influences the distribution of future observations. The overarching goal in learning under performativity is to find a predictor that has low \emph{performative risk}, that is, good performance on its induced distribution. One family of solutions for optimizing the performative risk, including bandits and other derivative-free methods, is agnostic to any structure in the performative feedback, leading to exceedingly slow convergence rates. A complementary family of solutions makes use of explicit \emph{models} for the feedback, such as best-response models in strategic classification, enabling significantly faster rates. However, these rates critically rely on the feedback model being well-specified. In this work we initiate a study of the use of possibly \emph{misspecified} models in performative prediction. We study a general protocol for making use of models, called \emph{plug-in performative optimization}, and prove bounds on its excess risk. We show that plug-in performative optimization can be far more efficient than model-agnostic strategies, as long as the misspecification is not too extreme. Altogether, our results support the hypothesis that models--even if misspecified--can indeed help with learning in performative settings.