arXiv subjects

Khai Nguyen

Publications and source records attributed to Khai Nguyen.

At least 55 records · Page 3Linked to original sources

arXiv2024

Towards Convergence Rates for Parameter Estimation in Gaussian-gated Mixture of Experts

Originally introduced as a neural network for ensemble learning, mixture of experts (MoE) has recently become a fundamental building block of highly successful modern deep neural networks for heterogeneous data analysis in several applications of machine learning and statistics. Despite its popularity in practice, a satisfactory level of theoretical understanding of the MoE model is far from complete. To shed new light on this problem, we provide a convergence analysis for maximum likelihood estimation (MLE) in the Gaussian-gated MoE model. The main challenge of that analysis comes from the inclusion of covariates in the Gaussian gating functions and expert networks, which leads to their intrinsic interaction via some partial differential equations with respect to their parameters. We tackle these issues by designing novel Voronoi loss functions among parameters to accurately capture the heterogeneity of parameter estimation rates. Our findings reveal that the MLE has distinct behaviors under two complement settings of location parameters of the Gaussian gating functions, namely when all these parameters are non-zero versus when at least one among them vanishes. Notably, these behaviors can be characterized by the solvability of two different systems of polynomial equations. Finally, we conduct a simulation study to empirically verify our theoretical results.

stat.ML↗

arXiv2023

Markovian Sliced Wasserstein Distances: Beyond Independent Projections

Sliced Wasserstein (SW) distance suffers from redundant projections due to independent uniform random projecting directions. To partially overcome the issue, max K sliced Wasserstein (Max-K-SW) distance ($K\geq 1$), seeks the best discriminative orthogonal projecting directions. Despite being able to reduce the number of projections, the metricity of Max-K-SW cannot be guaranteed in practice due to the non-optimality of the optimization. Moreover, the orthogonality constraint is also computationally expensive and might not be effective. To address the problem, we introduce a new family of SW distances, named Markovian sliced Wasserstein (MSW) distance, which imposes a first-order Markov structure on projecting directions. We discuss various members of MSW by specifying the Markov structure including the prior distribution, the transition distribution, and the burning and thinning technique. Moreover, we investigate the theoretical properties of MSW including topological properties (metricity, weak convergence, and connection to other distances), statistical properties (sample complexity, and Monte Carlo estimation error), and computational properties (computational complexity and memory complexity). Finally, we compare MSW distances with previous SW variants in various applications such as gradient flows, color transfer, and deep generative modeling to demonstrate the favorable performance of MSW.

stat.ML↗

arXiv2023

Energy-Based Sliced Wasserstein Distance

The sliced Wasserstein (SW) distance has been widely recognized as a statistically effective and computationally efficient metric between two probability measures. A key component of the SW distance is the slicing distribution. There are two existing approaches for choosing this distribution. The first approach is using a fixed prior distribution. The second approach is optimizing for the best distribution which belongs to a parametric family of distributions and can maximize the expected distance. However, both approaches have their limitations. A fixed prior distribution is non-informative in terms of highlighting projecting directions that can discriminate two general probability measures. Doing optimization for the best distribution is often expensive and unstable. Moreover, designing the parametric family of the candidate distribution could be easily misspecified. To address the issues, we propose to design the slicing distribution as an energy-based distribution that is parameter-free and has the density proportional to an energy function of the projected one-dimensional Wasserstein distance. We then derive a novel sliced Wasserstein metric, energy-based sliced Waserstein (EBSW) distance, and investigate its topological, statistical, and computational properties via importance sampling, sampling importance resampling, and Markov Chain methods. Finally, we conduct experiments on point-cloud gradient flow, color transfer, and point-cloud reconstruction to show the favorable performance of the EBSW.

stat.ML↗

arXiv2023

Designing Robust Transformers using Robust Kernel Density Estimation

Recent advances in Transformer architectures have empowered their empirical success in a variety of tasks across different domains. However, existing works mainly focus on predictive accuracy and computational cost, without considering other practical issues, such as robustness to contaminated samples. Recent work by Nguyen et al., (2022) has shown that the self-attention mechanism, which is the center of the Transformer architecture, can be viewed as a non-parametric estimator based on kernel density estimation (KDE). This motivates us to leverage a set of robust kernel density estimation methods for alleviating the issue of data contamination. Specifically, we introduce a series of self-attention mechanisms that can be incorporated into different Transformer architectures and discuss the special properties of each method. We then perform extensive empirical studies on language modeling and image classification tasks. Our methods demonstrate robust performance in multiple scenarios while maintaining competitive results on clean datasets.

cs.LG↗

arXiv2023

Minimax Optimal Rate for Parameter Estimation in Multivariate Deviated Models

We study the maximum likelihood estimation (MLE) in the multivariate deviated model where the data are generated from the density function $(1-λ^{\ast})h_{0}(x)+λ^{\ast}f(x|μ^{\ast}, Σ^{\ast})$ in which $h_{0}$ is a known function, $λ^{\ast} \in [0,1]$ and $(μ^{\ast}, Σ^{\ast})$ are unknown parameters to estimate. The main challenges in deriving the convergence rate of the MLE mainly come from two issues: (1) The interaction between the function $h_{0}$ and the density function $f$; (2) The deviated proportion $λ^{\ast}$ can go to the extreme points of $[0,1]$ as the sample size tends to infinity. To address these challenges, we develop the \emph{distinguishability condition} to capture the linear independent relation between the function $h_{0}$ and the density function $f$. We then provide comprehensive convergence rates of the MLE via the vanishing rate of $λ^{\ast}$ to zero as well as the distinguishability of two functions $h_{0}$ and $f$.

math.ST↗

arXiv2023

Self-Attention Amortized Distributional Projection Optimization for Sliced Wasserstein Point-Cloud Reconstruction

Max sliced Wasserstein (Max-SW) distance has been widely known as a solution for less discriminative projections of sliced Wasserstein (SW) distance. In applications that have various independent pairs of probability measures, amortized projection optimization is utilized to predict the ``max" projecting directions given two input measures instead of using projected gradient ascent multiple times. Despite being efficient, Max-SW and its amortized version cannot guarantee metricity property due to the sub-optimality of the projected gradient ascent and the amortization gap. Therefore, we propose to replace Max-SW with distributional sliced Wasserstein distance with von Mises-Fisher (vMF) projecting distribution (v-DSW). Since v-DSW is a metric with any non-degenerate vMF distribution, its amortized version can guarantee the metricity when performing amortization. Furthermore, current amortized models are not permutation invariant and symmetric. To address the issue, we design amortized models based on self-attention architecture. In particular, we adopt efficient self-attention architectures to make the computation linear in the number of supports. With the two improvements, we derive self-attention amortized distributional projection optimization and show its appealing performance in point-cloud reconstruction and its downstream applications.

stat.ML↗

arXiv2023

On Cross-Layer Alignment for Model Fusion of Heterogeneous Neural Networks

Layer-wise model fusion via optimal transport, named OTFusion, applies soft neuron association for unifying different pre-trained networks to save computational resources. While enjoying its success, OTFusion requires the input networks to have the same number of layers. To address this issue, we propose a novel model fusion framework, named CLAFusion, to fuse neural networks with a different number of layers, which we refer to as heterogeneous neural networks, via cross-layer alignment. The cross-layer alignment problem, which is an unbalanced assignment problem, can be solved efficiently using dynamic programming. Based on the cross-layer alignment, our framework balances the number of layers of neural networks before applying layer-wise model fusion. Our experiments indicate that CLAFusion, with an extra finetuning process, improves the accuracy of residual networks on the CIFAR10, CIFAR100, and Tiny-ImageNet datasets. Furthermore, we explore its practical usage for model compression and knowledge distillation when applying to the teacher-student setting.

cs.LG↗

arXiv2023

Hierarchical Sliced Wasserstein Distance

Sliced Wasserstein (SW) distance has been widely used in different application scenarios since it can be scaled to a large number of supports without suffering from the curse of dimensionality. The value of sliced Wasserstein distance is the average of transportation cost between one-dimensional representations (projections) of original measures that are obtained by Radon Transform (RT). Despite its efficiency in the number of supports, estimating the sliced Wasserstein requires a relatively large number of projections in high-dimensional settings. Therefore, for applications where the number of supports is relatively small compared with the dimension, e.g., several deep learning applications where the mini-batch approaches are utilized, the complexities from matrix multiplication of Radon Transform become the main computational bottleneck. To address this issue, we propose to derive projections by linearly and randomly combining a smaller number of projections which are named bottleneck projections. We explain the usage of these projections by introducing Hierarchical Radon Transform (HRT) which is constructed by applying Radon Transform variants recursively. We then formulate the approach into a new metric between measures, named Hierarchical Sliced Wasserstein (HSW) distance. By proving the injectivity of HRT, we derive the metricity of HSW. Moreover, we investigate the theoretical properties of HSW including its connection to SW variants and its computational and sample complexities. Finally, we compare the computational cost and generative quality of HSW with the conventional SW on the task of deep generative modeling using various benchmark datasets including CIFAR10, CelebA, and Tiny ImageNet.

stat.ML↗

arXiv2022

Fast Approximation of the Generalized Sliced-Wasserstein Distance

Generalized sliced Wasserstein distance is a variant of sliced Wasserstein distance that exploits the power of non-linear projection through a given defining function to better capture the complex structures of the probability distributions. Similar to sliced Wasserstein distance, generalized sliced Wasserstein is defined as an expectation over random projections which can be approximated by the Monte Carlo method. However, the complexity of that approximation can be expensive in high-dimensional settings. To that end, we propose to form deterministic and fast approximations of the generalized sliced Wasserstein distance by using the concentration of random projections when the defining functions are polynomial function, circular function, and neural network type function. Our approximations hinge upon an important result that one-dimensional projections of a high-dimensional random vector are approximately Gaussian.

stat.ML↗

arXiv2022

Amortized Projection Optimization for Sliced Wasserstein Generative Models

Seeking informative projecting directions has been an important task in utilizing sliced Wasserstein distance in applications. However, finding these directions usually requires an iterative optimization procedure over the space of projecting directions, which is computationally expensive. Moreover, the computational issue is even more severe in deep learning applications, where computing the distance between two mini-batch probability measures is repeated several times. This nested loop has been one of the main challenges that prevent the usage of sliced Wasserstein distances based on good projections in practice. To address this challenge, we propose to utilize the learning-to-optimize technique or amortized optimization to predict the informative direction of any given two mini-batch probability measures. To the best of our knowledge, this is the first work that bridges amortized optimization and sliced Wasserstein generative models. In particular, we derive linear amortized models, generalized linear amortized models, and non-linear amortized models which are corresponding to three types of novel mini-batch losses, named amortized sliced Wasserstein. We demonstrate the favorable performance of the proposed sliced losses in deep generative modeling on standard benchmark datasets.

stat.ML↗

arXiv2022

Revisiting Sliced Wasserstein on Images: From Vectorization to Convolution

The conventional sliced Wasserstein is defined between two probability measures that have realizations as vectors. When comparing two probability measures over images, practitioners first need to vectorize images and then project them to one-dimensional space by using matrix multiplication between the sample matrix and the projection matrix. After that, the sliced Wasserstein is evaluated by averaging the two corresponding one-dimensional projected probability measures. However, this approach has two limitations. The first limitation is that the spatial structure of images is not captured efficiently by the vectorization step; therefore, the later slicing process becomes harder to gather the discrepancy information. The second limitation is memory inefficiency since each slicing direction is a vector that has the same dimension as the images. To address these limitations, we propose novel slicing methods for sliced Wasserstein between probability measures over images that are based on the convolution operators. We derive convolution sliced Wasserstein (CSW) and its variants via incorporating stride, dilation, and non-linear activation function into the convolution operators. We investigate the metricity of CSW as well as its sample complexity, its computational complexity, and its connection to conventional sliced Wasserstein distances. Finally, we demonstrate the favorable performance of CSW over the conventional sliced Wasserstein in comparing probability measures over images and in training deep generative modeling on images.

cs.CV↗

arXiv2022

On Transportation of Mini-batches: A Hierarchical Approach

Mini-batch optimal transport (m-OT) has been successfully used in practical applications that involve probability measures with a very high number of supports. The m-OT solves several smaller optimal transport problems and then returns the average of their costs and transportation plans. Despite its scalability advantage, the m-OT does not consider the relationship between mini-batches which leads to undesirable estimation. Moreover, the m-OT does not approximate a proper metric between probability measures since the identity property is not satisfied. To address these problems, we propose a novel mini-batch scheme for optimal transport, named Batch of Mini-batches Optimal Transport (BoMb-OT), that finds the optimal coupling between mini-batches and it can be seen as an approximation to a well-defined distance on the space of probability measures. Furthermore, we show that the m-OT is a limit of the entropic regularized version of the BoMb-OT when the regularized parameter goes to infinity. Finally, we carry out experiments on various applications including deep generative models, deep domain adaptation, approximate Bayesian computation, color transfer, and gradient flow to show that the BoMb-OT can be widely applied and performs well in various applications.

stat.ML↗

arXiv2022

Improving Mini-batch Optimal Transport via Partial Transportation

Mini-batch optimal transport (m-OT) has been widely used recently to deal with the memory issue of OT in large-scale applications. Despite their practicality, m-OT suffers from misspecified mappings, namely, mappings that are optimal on the mini-batch level but are partially wrong in the comparison with the optimal transportation plan between the original measures. Motivated by the misspecified mappings issue, we propose a novel mini-batch method by using partial optimal transport (POT) between mini-batch empirical measures, which we refer to as mini-batch partial optimal transport (m-POT). Leveraging the insight from the partial transportation, we explain the source of misspecified mappings from the m-OT and motivate why limiting the amount of transported masses among mini-batches via POT can alleviate the incorrect mappings. Finally, we carry out extensive experiments on various applications such as deep domain adaptation, partial domain adaptation, deep generative model, color transfer, and gradient flow to demonstrate the favorable performance of m-POT compared to current mini-batch methods.

stat.ML↗

arXiv2022

Transformer with Fourier Integral Attentions

Multi-head attention empowers the recent success of transformers, the state-of-the-art models that have achieved remarkable success in sequence modeling and beyond. These attention mechanisms compute the pairwise dot products between the queries and keys, which results from the use of unnormalized Gaussian kernels with the assumption that the queries follow a mixture of Gaussian distribution. There is no guarantee that this assumption is valid in practice. In response, we first interpret attention in transformers as a nonparametric kernel regression. We then propose the FourierFormer, a new class of transformers in which the dot-product kernels are replaced by the novel generalized Fourier integral kernels. Different from the dot-product kernels, where we need to choose a good covariance matrix to capture the dependency of the features of data, the generalized Fourier integral kernels can automatically capture such dependency and remove the need to tune the covariance matrix. We theoretically prove that our proposed Fourier integral kernels can efficiently approximate any key and query distributions. Compared to the conventional transformers with dot-product attention, FourierFormers attain better accuracy and reduce the redundancy between attention heads. We empirically corroborate the advantages of FourierFormers over the baseline transformers in a variety of practical applications including language modeling and image classification.

cs.LG↗

arXiv2021

Structured Dropout Variational Inference for Bayesian Neural Networks

Approximate inference in Bayesian deep networks exhibits a dilemma of how to yield high fidelity posterior approximations while maintaining computational efficiency and scalability. We tackle this challenge by introducing a novel variational structured approximation inspired by the Bayesian interpretation of Dropout regularization. Concretely, we focus on the inflexibility of the factorized structure in Dropout posterior and then propose an improved method called Variational Structured Dropout (VSD). VSD employs an orthogonal transformation to learn a structured representation on the variational Gaussian noise with plausible complexity, and consequently induces statistical dependencies in the approximate posterior. Theoretically, VSD successfully addresses the pathologies of previous Variational Dropout methods and thus offers a standard Bayesian justification. We further show that VSD induces an adaptive regularization term with several desirable properties which contribute to better generalization. Finally, we conduct extensive experiments on standard benchmarks to demonstrate the effectiveness of VSD over state-of-the-art variational methods on predictive accuracy, uncertainty estimation, and out-of-distribution detection.

cs.LG↗

arXiv2020

Pulsar Timing Array Constraints on the Merger Timescale of Subparsec Supermassive Black Hole Binary Candidates

We estimate the merger timescale of spectroscopically-selected, subparsec supermassive black hole binary (SMBHB) candidates by comparing their expected contribution to the gravitational wave background (GWB) with the sensitivity of current pulsar timing array (PTA) experiments and in particular, with the latest upper limit placed by the North American Nanohertz Observatory for Gravitational Waves (NANOGrav). We find that the average timescale to coalescence of such SMBHBs is $\langle t_{\rm evol} \rangle > 6\times 10^4\,$yr, assuming that their orbital evolution in the PTA frequency band is driven by emission of gravitational waves. If some fraction of SMBHBs do not reside in spectroscopically detected active galaxies, and their incidence in active and inactive galaxies is similar, then the merger timescale could be $\sim 10$ times longer, $\langle t_{\rm evol} \rangle > 6\times 10^5\,$yr. These limits are consistent with the range of timescales predicted by theoretical models and imply that all the SMBHB candidates in our spectroscopic sample could be binaries without violating the observational constraints on the GWB. This result illustrates the power of the multi-messenger approach, facilitated by the PTAs, in providing an independent statistical test of the nature of SMBHB candidates discovered in electromagnetic searches.

astro-ph.HE↗

arXiv2020

Improving Relational Regularized Autoencoders with Spherical Sliced Fused Gromov Wasserstein

Relational regularized autoencoder (RAE) is a framework to learn the distribution of data by minimizing a reconstruction loss together with a relational regularization on the latent space. A recent attempt to reduce the inner discrepancy between the prior and aggregated posterior distributions is to incorporate sliced fused Gromov-Wasserstein (SFG) between these distributions. That approach has a weakness since it treats every slicing direction similarly, meanwhile several directions are not useful for the discriminative task. To improve the discrepancy and consequently the relational regularization, we propose a new relational discrepancy, named spherical sliced fused Gromov Wasserstein (SSFG), that can find an important area of projections characterized by a von Mises-Fisher distribution. Then, we introduce two variants of SSFG to improve its performance. The first variant, named mixture spherical sliced fused Gromov Wasserstein (MSSFG), replaces the vMF distribution by a mixture of von Mises-Fisher distributions to capture multiple important areas of directions that are far from each other. The second variant, named power spherical sliced fused Gromov Wasserstein (PSSFG), replaces the vMF distribution by a power spherical distribution to improve the sampling time in high dimension settings. We then apply the new discrepancies to the RAE framework to achieve its new variants. Finally, we conduct extensive experiments to show that the new proposed autoencoders have favorable performance in learning latent manifold structure, image generation, and reconstruction.

stat.ML↗

arXiv2020

Distributional Sliced-Wasserstein and Applications to Generative Modeling

Sliced-Wasserstein distance (SW) and its variant, Max Sliced-Wasserstein distance (Max-SW), have been used widely in the recent years due to their fast computation and scalability even when the probability measures lie in a very high dimensional space. However, SW requires many unnecessary projection samples to approximate its value while Max-SW only uses the most important projection, which ignores the information of other useful directions. In order to account for these weaknesses, we propose a novel distance, named Distributional Sliced-Wasserstein distance (DSW), that finds an optimal distribution over projections that can balance between exploring distinctive projecting directions and the informativeness of projections themselves. We show that the DSW is a generalization of Max-SW, and it can be computed efficiently by searching for the optimal push-forward measure over a set of probability measures over the unit sphere satisfying certain regularizing constraints that favor distinct directions. Finally, we conduct extensive experiments with large-scale datasets to demonstrate the favorable performances of the proposed distances over the previous sliced-based distances in generative modeling applications.

stat.ML↗