TrungTin Nguyen

Huy Nguyen, Pedram Akbarian, TrungTin Nguyen et al.

Mixture-of-experts (MoE) model incorporates the power of multiple submodels via gating functions to achieve greater performance in numerous regression and classification applications. From a theoretical perspective, while there have been previous attempts to comprehend the behavior of that model under the regression settings through the convergence analysis of maximum likelihood estimation in the Gaussian MoE model, such analysis under the setting of a classification problem has remained missing in the literature. We close this gap by establishing the convergence rates of density estimation and parameter estimation in the softmax gating multinomial logistic MoE model. Notably, when part of the expert parameters vanish, these rates are shown to be slower than polynomial rates owing to an inherent interaction between the softmax gating and expert functions via partial differential equations. To address this issue, we propose using a novel class of modified softmax gating functions which transform the input before delivering them to the gating functions. As a result, the previous interaction disappears and the parameter estimation rates are significantly improved.

TrungKhang Tran, TrungTin Nguyen, Gersende Fort et al.

Processing high-volume, streaming data is increasingly common in modern statistics and machine learning, where batch-mode algorithms are often impractical because they require repeated passes over the full dataset. This has motivated incremental stochastic estimation methods, including the incremental stochastic Expectation-Maximization (EM) algorithm formulated via stochastic approximation. In this work, we revisit and analyze an incremental stochastic variant of the Majorization-Minimization (MM) algorithm, which generalizes incremental stochastic EM as a special case. Our approach relaxes key EM requirements, such as explicit latent-variable representations, enabling broader applicability and greater algorithmic flexibility. We establish theoretical guarantees for the incremental stochastic MM algorithm, proving consistency in the sense that the iterates converge to a stationary point characterized by a vanishing gradient of the objective. We demonstrate these advantages on a softmax-gated mixture of experts (MoE) regression problem, for which no stochastic EM algorithm is available. Empirically, our method consistently outperforms widely used stochastic optimizers, including stochastic gradient descent, root mean square propagation, adaptive moment estimation, and second-order clipped stochastic optimization. These results support the development of new incremental stochastic algorithms, given the central role of softmax-gated MoE architectures in contemporary deep neural networks for heterogeneous data modeling. Beyond synthetic experiments, we also validate practical effectiveness on two real-world datasets, including a bioinformatics study of dent maize genotypes under drought stress that integrates high-dimensional proteomics with ecophysiological traits, where incremental stochastic MM yields stable gains in predictive performance.

Giang Do, Khiem Le, Quang Pham et al.

By routing input tokens to only a few split experts, Sparse Mixture-of-Experts has enabled efficient training of large language models. Recent findings suggest that fixing the routers can achieve competitive performance by alleviating the collapsing problem, where all experts eventually learn similar representations. However, this strategy has two key limitations: (i) the policy derived from random routers might be sub-optimal, and (ii) it requires extensive resources during training and evaluation, leading to limited efficiency gains. This work introduces \HyperRout, which dynamically generates the router's parameters through a fixed hypernetwork and trainable embeddings to achieve a balance between training the routers and freezing them to learn an improved routing policy. Extensive experiments across a wide range of tasks demonstrate the superior performance and efficiency gains of \HyperRouter compared to existing routing methods. Our implementation is publicly available at {\url{https://github.com/giangdip2410/HyperRouter}}.

Quang Pham, Giang Do, Huy Nguyen et al.

Sparse mixture of experts (SMoE) offers an appealing solution to scale up the model complexity beyond the mean of increasing the network's depth or width. However, effective training of SMoE has proven to be challenging due to the representation collapse issue, which causes parameter redundancy and limited representation potentials. In this work, we propose a competition mechanism to address this fundamental challenge of representation collapse. By routing inputs only to experts with the highest neural response, we show that, under mild assumptions, competition enjoys the same convergence rate as the optimal estimator. We further propose CompeteSMoE, an effective and efficient algorithm to train large language models by deploying a simple router that predicts the competition outcomes. Consequently, CompeteSMoE enjoys strong performance gains from the competition routing policy while having low computation overheads. Our extensive empirical evaluations on two transformer architectures and a wide range of tasks demonstrate the efficacy, robustness, and scalability of CompeteSMoE compared to state-of-the-art SMoE strategies.

Duy M. H. Nguyen, Nina Lukashina, Tai Nguyen et al.

A molecule's 2D representation consists of its atoms, their attributes, and the molecule's covalent bonds. A 3D (geometric) representation of a molecule is called a conformer and consists of its atom types and Cartesian coordinates. Every conformer has a potential energy, and the lower this energy, the more likely it occurs in nature. Most existing machine learning methods for molecular property prediction consider either 2D molecular graphs or 3D conformer structure representations in isolation. Inspired by recent work on using ensembles of conformers in conjunction with 2D graph representations, we propose $\mathrm{E}$(3)-invariant molecular conformer aggregation networks. The method integrates a molecule's 2D representation with that of multiple of its conformers. Contrary to prior work, we propose a novel 2D-3D aggregation mechanism based on a differentiable solver for the Fused Gromov-Wasserstein Barycenter problem and the use of an efficient conformer generation method based on distance geometry. We show that the proposed aggregation mechanism is $\mathrm{E}$(3) invariant and propose an efficient GPU implementation. Moreover, we demonstrate that the aggregation mechanism helps to significantly outperform state-of-the-art molecule property prediction methods on established datasets.

Mark Chiu Chong, Hien Duy Nguyen, TrungTin Nguyen

We consider the problem of estimating probability density functions based on sample data, using a finite mixture of densities from some component class. To this end, we introduce the $h$-lifted Kullback--Leibler (KL) divergence as a generalization of the standard KL divergence and a criterion for conducting risk minimization. Under a compact support assumption, we prove an $\mathcal{O}(1/{\sqrt{n}})$ bound on the expected estimation error when using the $h$-lifted KL divergence, which extends the results of Rakhlin et al. (2005, ESAIM: Probability and Statistics, Vol. 9) and Li and Barron (1999, Advances in Neural Information ProcessingSystems, Vol. 12) to permit the risk bounding of density functions that are not strictly positive. We develop a procedure for the computation of the corresponding maximum $h$-lifted likelihood estimators ($h$-MLLEs) using the Majorization-Maximization framework and provide experimental results in support of our theoretical bounds.

Tuan Thai, TrungTin Nguyen, Dat Do et al.

Mixture of Experts (MoE) models constitute a widely utilized class of ensemble learning approaches in statistics and machine learning, known for their flexibility and computational efficiency. They have become integral components in numerous state-of-the-art deep neural network architectures, particularly for analyzing heterogeneous data across diverse domains. Despite their practical success, the theoretical understanding of model selection, especially concerning the optimal number of mixture components or experts, remains limited and poses significant challenges. These challenges primarily stem from the inclusion of covariates in both the Gaussian gating functions and expert networks, which introduces intrinsic interactions governed by partial differential equations with respect to their parameters. In this paper, we revisit the concept of dendrograms of mixing measures and introduce a novel extension to Gaussian-gated Gaussian MoE models that enables consistent estimation of the true number of mixture components and achieves the pointwise optimal convergence rate for parameter estimation in overfitted scenarios. Notably, this approach circumvents the need to train and compare a range of models with varying numbers of components, thereby alleviating the computational burden, particularly in high-dimensional or deep neural network settings. Experimental results on synthetic data demonstrate the effectiveness of the proposed method in accurately recovering the number of experts. It outperforms common criteria such as the Akaike information criterion, the Bayesian information criterion, and the integrated completed likelihood, while achieving optimal convergence rates for parameter estimation and accurately approximating the regression function.

Duy M. H. Nguyen, Tuan A. Tran, Duong Nguyen et al.

Recent token merging techniques for Vision Transformers (ViTs) provide substantial speedups by reducing the number of tokens processed by self-attention, often without retraining. However, their direct application to the Segment Anything Model (SAM) family is nontrivial: SAM's image encoder mixes windowed and global attention, and its mask decoder relies on dense, prompt-conditioned features for precise boundary prediction. We systematically evaluate representative token-merging methods on SAM and Medical SAM in a strict off-the-shelf setting, and find that existing destination-selection heuristics can erode boundaries and leak prompt information as merge rates increase. We propose \textbf{StructSAM}, a resolution-preserving merge-unmerge framework tailored to SAM. StructSAM computes a lightweight token-energy score from first-order feature gradients, uses grid-based flatness screening to protect boundary and prompt regions, and merges tokens within flat areas toward low-energy destinations with explicit token recovery. We further provide a spectral graph coarsening view showing that score-guided merging yields bounded Laplacian spectral distortion compared to random or window-restricted baselines. Across eight natural and medical benchmarks, StructSAM reduces encoder FLOPs by 25-30\% (up to 40\%+ with prompt-aware merging) with minor drops in mIoU/Dice, consistently outperforming ToMe, PiToMe, ToMeSD, VidToMe, and ALGM at the same compute.

Do Tien Hai, Trung Nguyen Mai, TrungTin Nguyen et al.

We develop a unified statistical framework for softmax-gated Gaussian mixture of experts (SGMoE) that addresses three long-standing obstacles in parameter estimation and model selection: (i) non-identifiability of gating parameters up to common translations, (ii) intrinsic gate-expert interactions that induce coupled differential relations in the likelihood, and (iii) the tight numerator-denominator coupling in the softmax-induced conditional density. Our approach introduces Voronoi-type loss functions aligned with the gate-partition geometry and establishes finite-sample convergence rates for the maximum likelihood estimator (MLE). In over-specified models, we reveal a link between the MLE's convergence rate and the solvability of an associated system of polynomial equations characterizing near-nonidentifiable directions. For model selection, we adapt dendrograms of mixing measures to SGMoE, yielding a consistent, sweep-free selector of the number of experts that attains pointwise-optimal parameter rates under overfitting while avoiding multi-size training. Simulations on synthetic data corroborate the theory, accurately recovering the expert count and achieving the predicted rates for parameter estimation while closely approximating the regression function. Under model misspecification (e.g., $ε$-contamination), the dendrogram selection criterion is robust, recovering the true number of mixture components, while the Akaike information criterion, the Bayesian information criterion, and the integrated completed likelihood tend to overselect as sample size grows. On a maize proteomics dataset of drought-responsive traits, our dendrogram-guided SGMoE selects two experts, exposes a clear mixing-measure hierarchy, stabilizes the likelihood early, and yields interpretable genotype-phenotype maps, outperforming standard criteria without multi-size training.

Binh H. Ho, Long Nguyen Chi, TrungTin Nguyen et al.

Model-based clustering integrated with variable selection is a powerful tool for uncovering latent structures within complex data. However, its effectiveness is often hindered by challenges such as identifying relevant variables that define heterogeneous subgroups and handling data that are missing not at random, a prevalent issue in fields like transcriptomics. While several notable methods have been proposed to address these problems, they typically tackle each issue in isolation, thereby limiting their flexibility and adaptability. This paper introduces a unified framework designed to address these challenges simultaneously. Our approach incorporates a data-driven penalty matrix into penalized clustering to enable more flexible variable selection, along with a mechanism that explicitly models the relationship between missingness and latent class membership. We demonstrate that, under certain regularity conditions, the proposed framework achieves both asymptotic consistency and selection consistency, even in the presence of missing data. This unified strategy significantly enhances the capability and efficiency of model-based clustering, advancing methodologies for identifying informative variables that define homogeneous subgroups in the presence of complex missing data patterns. The performance of the framework, including its computational efficiency, is evaluated through simulations and demonstrated using both synthetic and real-world transcriptomic datasets.

Huy Nguyen, TrungTin Nguyen, Khai Nguyen et al.

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.

Huy Nguyen, TrungTin Nguyen, Nhat Ho

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.

TrungTin Nguyen, Faicel Chamroukhi, Hien Duy Nguyen et al.

Model selection, via penalized likelihood type criteria, is a standard task in many statistical inference and machine learning problems. Progress has led to deriving criteria with asymptotic consistency results and an increasing emphasis on introducing non-asymptotic criteria. We focus on the problem of modeling non-linear relationships in regression data with potential hidden graph-structured interactions between the high-dimensional predictors, within the mixture of experts modeling framework. In order to deal with such a complex situation, we investigate a block-diagonal localized mixture of polynomial experts (BLoMPE) regression model, which is constructed upon an inverse regression and block-diagonal structures of the Gaussian expert covariance matrices. We introduce a penalized maximum likelihood selection criterion to estimate the unknown conditional density of the regression model. This model selection criterion allows us to handle the challenging problem of inferring the number of mixture components, the degree of polynomial mean functions, and the hidden block-diagonal structures of the covariance matrices, which reduces the number of parameters to be estimated and leads to a trade-off between complexity and sparsity in the model. In particular, we provide a strong theoretical guarantee: a finite-sample oracle inequality satisfied by the penalized maximum likelihood estimator with a Jensen-Kullback-Leibler type loss, to support the introduced non-asymptotic model selection criterion. The penalty shape of this criterion depends on the complexity of the considered random subcollection of BLoMPE models, including the relevant graph structures, the degree of polynomial mean functions, and the number of mixture components.

TrungTin Nguyen, Hien Duy Nguyen, Faicel Chamroukhi et al.

Mixture of experts (MoE) are a popular class of statistical and machine learning models that have gained attention over the years due to their flexibility and efficiency. In this work, we consider Gaussian-gated localized MoE (GLoME) and block-diagonal covariance localized MoE (BLoME) regression models to present nonlinear relationships in heterogeneous data with potential hidden graph-structured interactions between high-dimensional predictors. These models pose difficult statistical estimation and model selection questions, both from a computational and theoretical perspective. This paper is devoted to the study of the problem of model selection among a collection of GLoME or BLoME models characterized by the number of mixture components, the complexity of Gaussian mean experts, and the hidden block-diagonal structures of the covariance matrices, in a penalized maximum likelihood estimation framework. In particular, we establish non-asymptotic risk bounds that take the form of weak oracle inequalities, provided that lower bounds for the penalties hold. The good empirical behavior of our models is then demonstrated on synthetic and real datasets.

TrungTin Nguyen, Hien D Nguyen, Faicel Chamroukhi et al.

We investigate the estimation properties of the mixture of experts (MoE) model in a high-dimensional setting, where the number of predictors is much larger than the sample size, and for which the literature is particularly lacking in theoretical results. We consider the class of softmax-gated Gaussian MoE (SGMoE) models, defined as MoE models with softmax gating functions and Gaussian experts, and focus on the theoretical properties of their $l_1$-regularized estimation via the Lasso. To the best of our knowledge, we are the first to investigate the $l_1$-regularization properties of SGMoE models from a non-asymptotic perspective, under the mildest assumptions, namely the boundedness of the parameter space. We provide a lower bound on the regularization parameter of the Lasso penalty that ensures non-asymptotic theoretical control of the Kullback--Leibler loss of the Lasso estimator for SGMoE models. Finally, we carry out a simulation study to empirically validate our theoretical findings.