Uncertainty
Estimating the Rate-Distortion Function by Wasserstein Gradient Descent
Yang, Yibo, Eckstein, Stephan, Nutz, Marcel, Mandt, Stephan
In the theory of lossy compression, the rate-distortion (R-D) function $R(D)$ describes how much a data source can be compressed (in bit-rate) at any given level of fidelity (distortion). Obtaining $R(D)$ for a given data source establishes the fundamental performance limit for all compression algorithms. We propose a new method to estimate $R(D)$ from the perspective of optimal transport. Unlike the classic Blahut--Arimoto algorithm which fixes the support of the reproduction distribution in advance, our Wasserstein gradient descent algorithm learns the support of the optimal reproduction distribution by moving particles. We prove its local convergence and analyze the sample complexity of our R-D estimator based on a connection to entropic optimal transport. Experimentally, we obtain comparable or tighter bounds than state-of-the-art neural network methods on low-rate sources while requiring considerably less tuning and computation effort. We also highlight a connection to maximum-likelihood deconvolution and introduce a new class of sources that can be used as test cases with known solutions to the R-D problem.
Posterior Contraction Rates for Mat\'ern Gaussian Processes on Riemannian Manifolds
Rosa, Paul, Borovitskiy, Viacheslav, Terenin, Alexander, Rousseau, Judith
Gaussian processes are used in many machine learning applications that rely on uncertainty quantification. Recently, computational tools for working with these models in geometric settings, such as when inputs lie on a Riemannian manifold, have been developed. This raises the question: can these intrinsic models be shown theoretically to lead to better performance, compared to simply embedding all relevant quantities into $\mathbb{R}^d$ and using the restriction of an ordinary Euclidean Gaussian process? To study this, we prove optimal contraction rates for intrinsic Mat\'ern Gaussian processes defined on compact Riemannian manifolds. We also prove analogous rates for extrinsic processes using trace and extension theorems between manifold and ambient Sobolev spaces: somewhat surprisingly, the rates obtained turn out to coincide with those of the intrinsic processes, provided that their smoothness parameters are matched appropriately. We illustrate these rates empirically on a number of examples, which, mirroring prior work, show that intrinsic processes can achieve better performance in practice. Therefore, our work shows that finer-grained analyses are needed to distinguish between different levels of data-efficiency of geometric Gaussian processes, particularly in settings which involve small data set sizes and non-asymptotic behavior.
Demystifying Softmax Gating Function in Gaussian Mixture of Experts
Nguyen, Huy, Nguyen, TrungTin, Ho, Nhat
Understanding the parameter estimation of softmax gating Gaussian mixture of experts has remained a long-standing open problem in the literature. It is mainly due to three fundamental theoretical challenges associated with the softmax gating function: (i) the identifiability only up to the translation of parameters; (ii) the intrinsic interaction via partial differential equations between the softmax gating and the expert functions in the Gaussian density; (iii) the complex dependence between the numerator and denominator of the conditional density of softmax gating Gaussian mixture of experts. We resolve these challenges by proposing novel Voronoi loss functions among parameters and establishing the convergence rates of maximum likelihood estimator (MLE) for solving parameter estimation in these models. When the true number of experts is unknown and over-specified, our findings show a connection between the convergence rate of the MLE and a solvability problem of a system of polynomial equations.
On Calibrating Diffusion Probabilistic Models
Pang, Tianyu, Lu, Cheng, Du, Chao, Lin, Min, Yan, Shuicheng, Deng, Zhijie
Recently, diffusion probabilistic models (DPMs) have achieved promising results in diverse generative tasks. A typical DPM framework includes a forward process that gradually diffuses the data distribution and a reverse process that recovers the data distribution from time-dependent data scores. In this work, we observe that the stochastic reverse process of data scores is a martingale, from which concentration bounds and the optional stopping theorem for data scores can be derived. Then, we discover a simple way for calibrating an arbitrary pretrained DPM, with which the score matching loss can be reduced and the lower bounds of model likelihood can consequently be increased. We provide general calibration guidelines under various model parametrizations. Our calibration method is performed only once and the resulting models can be used repeatedly for sampling. We conduct experiments on multiple datasets to empirically validate our proposal.
A Spectral Approach to Item Response Theory
The Rasch model is one of the most fundamental models in \emph{item response theory} and has wide-ranging applications from education testing to recommendation systems. In a universe with $n$ users and $m$ items, the Rasch model assumes that the binary response $X_{li} \in \{0,1\}$ of a user $l$ with parameter $\theta^*_l$ to an item $i$ with parameter $\beta^*_i$ (e.g., a user likes a movie, a student correctly solves a problem) is distributed as $\Pr(X_{li}=1) = 1/(1 + \exp{-(\theta^*_l - \beta^*_i)})$. In this paper, we propose a \emph{new item estimation} algorithm for this celebrated model (i.e., to estimate $\beta^*$). The core of our algorithm is the computation of the stationary distribution of a Markov chain defined on an item-item graph. We complement our algorithmic contributions with finite-sample error guarantees, the first of their kind in the literature, showing that our algorithm is consistent and enjoys favorable optimality properties. We discuss practical modifications to accelerate and robustify the algorithm that practitioners can adopt. Experiments on synthetic and real-life datasets, ranging from small education testing datasets to large recommendation systems datasets show that our algorithm is scalable, accurate, and competitive with the most commonly used methods in the literature.
A Fuzzy Time Series-Based Model Using Particle Swarm Optimization and Weighted Rules
During the last decades, a myriad of fuzzy time series models have been proposed in scientific literature. Among the most accurate models found in fuzzy time series, the high-order ones are the most accurate. The research described in this paper tackles three potential limitations associated with the application of high-order fuzzy time series models. To begin with, the adequacy of forecast rules lacks consistency. Secondly, as the model's order increases, data utilization diminishes. Thirdly, the uniformity of forecast rules proves to be highly contingent on the chosen interval partitions. To address these likely drawbacks, we introduce a novel model based on fuzzy time series that amalgamates the principles of particle swarm optimization (PSO) and weighted summation. Our results show that our approach models accurately the time series in comparison with previous methods.
Episodic Multi-Task Learning with Heterogeneous Neural Processes
Shen, Jiayi, Zhen, Xiantong, Qi, null, Wang, null, Worring, Marcel
This paper focuses on the data-insufficiency problem in multi-task learning within an episodic training setup. Specifically, we explore the potential of heterogeneous information across tasks and meta-knowledge among episodes to effectively tackle each task with limited data. Existing meta-learning methods often fail to take advantage of crucial heterogeneous information in a single episode, while multi-task learning models neglect reusing experience from earlier episodes. To address the problem of insufficient data, we develop Heterogeneous Neural Processes (HNPs) for the episodic multi-task setup. Within the framework of hierarchical Bayes, HNPs effectively capitalize on prior experiences as meta-knowledge and capture task-relatedness among heterogeneous tasks, mitigating data-insufficiency. Meanwhile, transformer-structured inference modules are designed to enable efficient inferences toward meta-knowledge and task-relatedness. In this way, HNPs can learn more powerful functional priors for adapting to novel heterogeneous tasks in each meta-test episode. Experimental results show the superior performance of the proposed HNPs over typical baselines, and ablation studies verify the effectiveness of the designed inference modules.
EDGE++: Improved Training and Sampling of EDGE
Wu, Mingyang, Chen, Xiaohui, Liu, Li-Ping
Recently developed deep neural models like NetGAN, CELL, and Variational Graph Autoencoders have made progress but face limitations in replicating key graph statistics on generating large graphs. Diffusion-based methods have emerged as promising alternatives, however, most of them present challenges in computational efficiency and generative performance. EDGE is effective at modeling large networks, but its current denoising approach can be inefficient, often leading to wasted computational resources and potential mismatches in its generation process. In this paper, we propose enhancements to the EDGE model to address these issues. Specifically, we introduce a degree-specific noise schedule that optimizes the number of active nodes at each timestep, significantly reducing memory consumption. Additionally, we present an improved sampling scheme that fine-tunes the generative process, allowing for better control over the similarity between the synthesized and the true network. Our experimental results demonstrate that the proposed modifications not only improve the efficiency but also enhance the accuracy of the generated graphs, offering a robust and scalable solution for graph generation tasks.
PAC-Bayesian Spectrally-Normalized Bounds for Adversarially Robust Generalization
Xiao, Jiancong, Sun, Ruoyu, Luo, Zhi- Quan
Deep neural networks (DNNs) are vulnerable to adversarial attacks. It is found empirically that adversarially robust generalization is crucial in establishing defense algorithms against adversarial attacks. Therefore, it is interesting to study the theoretical guarantee of robust generalization. This paper focuses on norm-based complexity, based on a PAC-Bayes approach (Neyshabur et al., 2017). The main challenge lies in extending the key ingredient, which is a weight perturbation bound in standard settings, to the robust settings. Existing attempts heavily rely on additional strong assumptions, leading to loose bounds. In this paper, we address this issue and provide a spectrally-normalized robust generalization bound for DNNs. Compared to existing bounds, our bound offers two significant advantages: Firstly, it does not depend on additional assumptions. Secondly, it is considerably tighter, aligning with the bounds of standard generalization. Therefore, our result provides a different perspective on understanding robust generalization: The mismatch terms between standard and robust generalization bounds shown in previous studies do not contribute to the poor robust generalization. Instead, these disparities solely due to mathematical issues. Finally, we extend the main result to adversarial robustness against general non-$\ell_p$ attacks and other neural network architectures.
Learning Descriptive Image Captioning via Semipermeable Maximum Likelihood Estimation
Yue, Zihao, Hu, Anwen, Zhang, Liang, Jin, Qin
Image captioning aims to describe visual content in natural language. As 'a picture is worth a thousand words', there could be various correct descriptions for an image. However, with maximum likelihood estimation as the training objective, the captioning model is penalized whenever its prediction mismatches with the label. For instance, when the model predicts a word expressing richer semantics than the label, it will be penalized and optimized to prefer more concise expressions, referred to as conciseness optimization. In contrast, predictions that are more concise than labels lead to richness optimization. Such conflicting optimization directions could eventually result in the model generating general descriptions. In this work, we introduce Semipermeable MaxImum Likelihood Estimation (SMILE), which allows richness optimization while blocking conciseness optimization, thus encouraging the model to generate longer captions with more details. Extensive experiments on two mainstream image captioning datasets MSCOCO and Flickr30K demonstrate that SMILE significantly enhances the descriptiveness of generated captions. We further provide in-depth investigations to facilitate a better understanding of how SMILE works.