Statistical Learning
Disentangling Interpretable Factors with Supervised Independent Subspace Principal Component Analysis
The success of machine learning models relies heavily on effectively representing high-dimensional data. However, ensuring data representations capture human-understandable concepts remains difficult, often requiring the incorporation of prior knowledge and decomposition of data into multiple subspaces. Traditional linear methods fall short in modeling more than one space, while more expressive deep learning approaches lack interpretability. Here, we introduce Supervised Independent Subspace Principal Component Analysis ( \texttt{sisPCA}), a PCA extension designed for multi-subspace learning. Leveraging the Hilbert-Schmidt Independence Criterion (HSIC), \texttt{sisPCA} incorporates supervision and simultaneously ensures subspace disentanglement.
Distributional regression: CRPS-error bounds for model fitting, model selection and convex aggregation
Distributional regression aims at estimating the conditional distribution of a target variable given explanatory co-variates. It is a crucial tool for forecasting when a precise uncertainty quantification is required. A popular methodology consists in fitting a parametric model via empirical risk minimization where the risk is measured by the Continuous Rank Probability Score (CRPS). For independent and identically distributed observations, we provide a concentration result for the estimation error and an upper bound for its expectation. Furthermore, we consider model selection performed by minimization of the validation error and provide a concentration bound for the regret.
Continual Auxiliary Task Learning
Learning auxiliary tasks, such as multiple predictions about the world, can provide many benefits to reinforcement learning systems. A variety of off-policy learning algorithms have been developed to learn such predictions, but as yet there is little work on how to adapt the behavior to gather useful data for those off-policy predictions. In this work, we investigate a reinforcement learning system designed to learn a collection of auxiliary tasks, with a behavior policy learning to take actions to improve those auxiliary predictions. We highlight the inherent non-stationarity in this continual auxiliary task learning problem, for both prediction learners and the behavior learner. We develop an algorithm based on successor features that facilitates tracking under non-stationary rewards, and prove the separation into learning successor features and rewards provides convergence rate improvements. We conduct an in-depth study into the resulting multi-prediction learning system.
Taming Transformer Without Using Learning Rate Warmup
Qi, Xianbiao, He, Yelin, Ye, Jiaquan, Li, Chun-Guang, Zi, Bojia, Dai, Xili, Zou, Qin, Xiao, Rong
Scaling Transformer to a large scale without using some technical tricks such as learning rate warump and using an obviously lower learning rate is an extremely challenging task, and is increasingly gaining more attention. In this paper, we provide a theoretical analysis for the process of training Transformer and reveal the rationale behind the model crash phenomenon in the training process, termed \textit{spectral energy concentration} of ${\bW_q}^{\top} \bW_k$, which is the reason for a malignant entropy collapse, where ${\bW_q}$ and $\bW_k$ are the projection matrices for the query and the key in Transformer, respectively. To remedy this problem, motivated by \textit{Weyl's Inequality}, we present a novel optimization strategy, \ie, making the weight updating in successive steps smooth -- if the ratio $\frac{ฯ_{1}(\nabla \bW_t)}{ฯ_{1}(\bW_{t-1})}$ is larger than a threshold, we will automatically bound the learning rate to a weighted multiple of $\frac{ฯ_{1}(\bW_{t-1})}{ฯ_{1}(\nabla \bW_t)}$, where $\nabla \bW_t$ is the updating quantity in step $t$. Such an optimization strategy can prevent spectral energy concentration to only a few directions, and thus can avoid malignant entropy collapse which will trigger the model crash. We conduct extensive experiments using ViT, Swin-Transformer and GPT, showing that our optimization strategy can effectively and stably train these Transformers without using learning rate warmup.
Spectral clustering for dependent community Hawkes process models of temporal networks
Zhao, Lingfei, Soliman, Hadeel, Xu, Kevin S., Paul, Subhadeep
Temporal networks observed continuously over time through timestamped relational events data are commonly encountered in application settings including online social media communications, financial transactions, and international relations. Temporal networks often exhibit community structure and strong dependence patterns among node pairs. This dependence can be modeled through mutual excitations, where an interaction event from a sender to a receiver node increases the possibility of future events among other node pairs. We provide statistical results for a class of models that we call dependent community Hawkes (DCH) models, which combine the stochastic block model with mutually exciting Hawkes processes for modeling both community structure and dependence among node pairs, respectively. We derive a non-asymptotic upper bound on the misclustering error of spectral clustering on the event count matrix as a function of the number of nodes and communities, time duration, and the amount of dependence in the model. Our result leverages recent results on bounding an appropriate distance between a multivariate Hawkes process count vector and a Gaussian vector, along with results from random matrix theory. We also propose a DCH model that incorporates only self and reciprocal excitation along with highly scalable parameter estimation using a Generalized Method of Moments (GMM) estimator that we demonstrate to be consistent for growing network size and time duration.
Computing Optimal Transport Maps and Wasserstein Barycenters Using Conditional Normalizing Flows
Visentin, Gabriele, Cheridito, Patrick
We present a novel method for efficiently computing optimal transport maps and Wasserstein barycenters in high-dimensional spaces. Our approach uses conditional normalizing flows to approximate the input distributions as invertible pushforward transformations from a common latent space. This makes it possible to directly solve the primal problem using gradient-based minimization of the transport cost, unlike previous methods that rely on dual formulations and complex adversarial optimization. We show how this approach can be extended to compute Wasserstein barycenters by solving a conditional variance minimization problem. A key advantage of our conditional architecture is that it enables the computation of barycenters for hundreds of input distributions, which was computationally infeasible with previous methods. Our numerical experiments illustrate that our approach yields accurate results across various high-dimensional tasks and compares favorably with previous state-of-the-art methods.
Learning Curves of Stochastic Gradient Descent in Kernel Regression
Zhang, Haihan, Lin, Weicheng, Liu, Yuanshi, Fang, Cong
Non-parametric least-squares regression within the RKHS framework represents a cornerstone of statistical learning theory. One mainstream method to solve the problem is kernel ridge regression (KRR) with optimality analysis [Caponnetto and De Vito, 2007, Smale and Zhou, 2007, Zhang et al., 2024b]. Recent years have witnessed a renaissance of interest in kernel methods driven by the neural tangent kernel (NTK) theory [Jacot et al., 2018, Arora et al., 2019], which states that sufficiently wide neural networks, under specific initialization, can be well approximated by a deterministic kernel model derived from the network architecture. Though deep learning often operates in regimes beyond the traditional statistical mindset, recent advances demonstrate that these generalization mysteries are not peculiar to neural networks and the phenomena are also present in kernel regression, particularly in the high-dimensional regime [Ghorbani et al., 2021, Liang and Rakhlin, 2020, Zhang et al., 2024c]. Substantial studies have been made in the related regimes for kernel ridge or ridgeless methods. For instance, Liang and Rakhlin [2020] demonstrates the existence of benign overfitting for ridgeless regression, a phenomenon where the model interpolates data yet still generalizes well.
Individualised Counterfactual Examples Using Conformal Prediction Intervals
Adams, James M., Reinert, Gesine, Szpruch, Lukasz, Maple, Carsten, Elliott, Andrew
Counterfactual explanations for black-box models aim to pr ovide insight into an algorithmic decision to its recipient. For a binary classification problem an individual counterfactual details which features might be changed for the model to infer the opposite class. High-dimensional feature spaces that are typical of machine learning classification models admit many possible counterfactual examples to a decision, and so it is important to identify additional criteria to select the most useful counterfactuals. In this paper, we explore the idea that the counterfactuals should be maximally informative when considering the knowledge of a specific individual about the underlying classifier. To quantify this information gain we explicitly model the knowledge of the individual, and assess the uncertainty of predictions which the individual makes by the width of a conformal prediction interval . Regions of feature space where the prediction interval is wide correspond to areas where the confidence in decision making is low, and an additional counterfactual example might be more informative to an individual. To explore and evaluate our individualised conformal prediction interval counterfactuals (CPICFs), first we present a synthetic data set on a hypercube which allows us to fully visualise the decision boundary, conformal intervals via three different methods, and resultant CPICFs. Second, in this synthetic data set we explore the impact of a single CPICF on the knowledge of an individual locally around the original query. Finally, in both our synthetic data set and a complex real world dataset with a combination of continuous and discrete variables, we measure the utility of these counterfactuals via data augmentation, testing the performance on a held out set.