Understanding the Generalization Ability of Deep Learning Algorithms: A Kernelized Renyi's Entropy Perspective

Recently, information theoretic analysis has become a popular framework for understanding the generalization behavior of deep neural networks. It allows a direct analysis for stochastic gradient/Langevin descent (SGD/SGLD) learning algorithms without strong assumptions such as Lipschitz or convexity conditions. However, the current generalization error bounds within this framework are still far from optimal, while substantial improvements on these bounds are quite challenging due to the intractability of high-dimensional information quantities. To address this issue, we first propose a novel information theoretical measure: kernelized Renyi's entropy, by utilizing operator representation in Hilbert space. It inherits the properties of Shannon's entropy and can be effectively calculated via simple random sampling, while remaining independent of the input dimension. We then establish the generalization error bounds for SGD/SGLD under kernelized Renyi's entropy, where the mutual information quantities can be directly calculated, enabling evaluation of the tightness of each intermediate step. We show that our information-theoretical bounds depend on the statistics of the stochastic gradients evaluated along with the iterates, and are rigorously tighter than the current state-of-the-art (SOTA) results. The theoretical findings are also supported by large-scale empirical studies1.

Robust and Fast Measure of Information via Low-rank Representation

The matrix-based R\'enyi's entropy allows us to directly quantify information measures from given data, without explicit estimation of the underlying probability distribution. This intriguing property makes it widely applied in statistical inference and machine learning tasks. However, this information theoretical quantity is not robust against noise in the data, and is computationally prohibitive in large-scale applications. To address these issues, we propose a novel measure of information, termed low-rank matrix-based R\'enyi's entropy, based on low-rank representations of infinitely divisible kernel matrices. The proposed entropy functional inherits the specialty of of the original definition to directly quantify information from data, but enjoys additional advantages including robustness and effective calculation. Specifically, our low-rank variant is more sensitive to informative perturbations induced by changes in underlying distributions, while being insensitive to uninformative ones caused by noises. Moreover, low-rank R\'enyi's entropy can be efficiently approximated by random projection and Lanczos iteration techniques, reducing the overall complexity from $\mathcal{O}(n^3)$ to $\mathcal{O}(n^2 s)$ or even $\mathcal{O}(ns^2)$, where $n$ is the number of data samples and $s \ll n$. We conduct large-scale experiments to evaluate the effectiveness of this new information measure, demonstrating superior results compared to matrix-based R\'enyi's entropy in terms of both performance and computational efficiency.

Optimal Randomized Approximations for Matrix based Renyi's Entropy

The Matrix-based Renyi's entropy enables us to directly measure information quantities from given data without the costly probability density estimation of underlying distributions, thus has been widely adopted in numerous statistical learning and inference tasks. However, exactly calculating this new information quantity requires access to the eigenspectrum of a semi-positive definite (SPD) matrix $A$ which grows linearly with the number of samples $n$, resulting in a $O(n^3)$ time complexity that is prohibitive for large-scale applications. To address this issue, this paper takes advantage of stochastic trace approximations for matrix-based Renyi's entropy with arbitrary $\alpha \in R^+$ orders, lowering the complexity by converting the entropy approximation to a matrix-vector multiplication problem. Specifically, we develop random approximations for integer order $\alpha$ cases and polynomial series approximations (Taylor and Chebyshev) for non-integer $\alpha$ cases, leading to a $O(n^2sm)$ overall time complexity, where $s,m \ll n$ denote the number of vector queries and the polynomial order respectively. We theoretically establish statistical guarantees for all approximation algorithms and give explicit order of s and m with respect to the approximation error $\varepsilon$, showing optimal convergence rate for both parameters up to a logarithmic factor. Large-scale simulations and real-world applications validate the effectiveness of the developed approximations, demonstrating remarkable speedup with negligible loss in accuracy.

Computationally Efficient Approximations for Matrix-based Renyi's Entropy

The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $\alpha$(i.e., $tr(G^\alpha)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we first develop randomized approximations to $\tr(\G^\alpha)$ that transform the trace estimation into matrix-vector multiplications problem. We extend such strategy for arbitrary values of $\alpha$ (integer or non-integer). We then establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables us to exploit both clustering and block low-rank structure of $\G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.

Markov subsampling based Huber Criterion

Subsampling is an important technique to tackle the computational challenges brought by big data. Many subsampling procedures fall within the framework of importance sampling, which assigns high sampling probabilities to the samples appearing to have big impacts. When the noise level is high, those sampling procedures tend to pick many outliers and thus often do not perform satisfactorily in practice. To tackle this issue, we design a new Markov subsampling strategy based on Huber criterion (HMS) to construct an informative subset from the noisy full data; the constructed subset then serves as a refined working data for efficient processing. HMS is built upon a Metropolis-Hasting procedure, where the inclusion probability of each sampling unit is determined using the Huber criterion to prevent over scoring the outliers. Under mild conditions, we show that the estimator based on the subsamples selected by HMS is statistically consistent with a sub-Gaussian deviation bound. The promising performance of HMS is demonstrated by extensive studies on large scale simulations and real data examples.

Regularized Modal Regression on Markov-dependent Observations: A Theoretical Assessment

Modal regression, a widely used regression protocol, has been extensively investigated in statistical and machine learning communities due to its robustness to outliers and heavy-tailed noises. Understanding modal regression's theoretical behavior can be fundamental in learning theory. Despite significant progress in characterizing its statistical property, the majority of the results are based on the assumption that samples are independent and identical distributed (i.i.d.), which is too restrictive for real-world applications. This paper concerns the statistical property of regularized modal regression (RMR) within an important dependence structure - Markov dependent. Specifically, we establish the upper bound for RMR estimator under moderate conditions and give an explicit learning rate. Our results show that the Markov dependence impacts on the generalization error in the way that sample size would be discounted by a multiplicative factor depending on the spectral gap of underlying Markov chain. This result shed a new light on characterizing the theoretical underpinning for robust regression.

OpenHI2 -- Open source histopathological image platform

Transition from conventional to digital pathology requires a new category of biomedical informatic infrastructure which could facilitate delicate pathological routine. Pathological diagnoses are sensitive to many external factors and is known to be subjective. Only systems that can meet strict requirements in pathology would be able to run along pathological routines and eventually digitized the study area, and the developed platform should comply with existing pathological routines and international standards. Currently, there are a number of available software tools which can perform histopathological tasks including virtual slide viewing, annotating, and basic image analysis, however, none of them can serve as a digital platform for pathology. Here we describe OpenHI2, an enhanced version Open Histopathological Image platform which is capable of supporting all basic pathological tasks and file formats; ready to be deployed in medical institutions on a standard server environment or cloud computing infrastructure. In this paper, we also describe the development decisions for the platform and propose solutions to overcome technical challenges so that OpenHI2 could be used as a platform for histopathological images. Further addition can be made to the platform since each component is modularized and fully documented. OpenHI2 is free, open-source, and available at https://gitlab.com/BioAI/OpenHI.