Zhiqi Lin

Wei Chen, Jiacheng Li, Shigui Li et al.

Score-based methods are powerful across machine learning, but they face a paradox: theoretically path-independent, yet practically path-dependent. We resolve this by proving that practical training objectives differ from the ideal, ground-truth objective by a crucial, overlooked term: the path variance of the score function. We propose the MVP (**M**imum **V**ariance **P**ath) Principle to minimize this path variance. Our key contribution is deriving a closed-form expression for the variance, making optimization tractable. By parameterizing the path with a flexible Kumaraswamy Mixture Model, our method learns data-adaptive, low-variance paths without heuristic manual selection. This principled optimization of the complete objective yields more accurate and stable estimators, establishing new state-of-the-art results on challenging benchmarks and providing a general framework for optimizing score-based interpolation. Our code can be found in https://github.com/Hoemr/OpenDRE.git.

Jian Xu, Zhiqi Lin, Min Chen et al.

Deep Gaussian process models typically employ discrete hierarchies, but recent advancements in differential Gaussian processes (DiffGPs) have extended these models to infinite depths. However, existing DiffGP approaches often overlook the uncertainty in kernel hyperparameters by treating them as fixed and time-invariant, which degrades the model's predictive performance and neglects the posterior distribution. In this work, we introduce a fully Bayesian framework that models kernel hyperparameters as random variables and utilizes coupled stochastic differential equations (SDEs) to jointly learn their posterior distributions alongside those of inducing points. By incorporating the estimation uncertainty of hyperparameters, our method significantly enhances model flexibility and adaptability to complex dynamic systems. Furthermore, we employ a black-box adaptive SDE solver with a neural network to achieve realistic, time varying posterior approximations, thereby improving the expressiveness of the variational posterior. Comprehensive experimental evaluations demonstrate that our approach outperforms traditional methods in terms of flexibility, accuracy, and other key performance metrics. This work not only provides a robust Bayesian extension to DiffGP models but also validates its effectiveness in handling intricate dynamic behaviors, thereby advancing the applicability of Gaussian process models in diverse real-world scenarios.

Jian Xu, Zhiqi Lin, Shigui Li et al.

Bayesian Last Layer (BLL) models focus solely on uncertainty in the output layer of neural networks, demonstrating comparable performance to more complex Bayesian models. However, the use of Gaussian priors for last layer weights in Bayesian Last Layer (BLL) models limits their expressive capacity when faced with non-Gaussian, outlier-rich, or high-dimensional datasets. To address this shortfall, we introduce a novel approach that combines diffusion techniques and implicit priors for variational learning of Bayesian last layer weights. This method leverages implicit distributions for modeling weight priors in BLL, coupled with diffusion samplers for approximating true posterior predictions, thereby establishing a comprehensive Bayesian prior and posterior estimation strategy. By delivering an explicit and computationally efficient variational lower bound, our method aims to augment the expressive abilities of BLL models, enhancing model accuracy, calibration, and out-of-distribution detection proficiency. Through detailed exploration and experimental validation, We showcase the method's potential for improving predictive accuracy and uncertainty quantification while ensuring computational efficiency.

Jian Xu, Shigui Li, Wei Chen et al.

Variational Inference (VI) is a fundamental inference technique in Bayesian machine learning for approximating complex posterior distributions. Traditional VI often relies on the mean-field factorization, which can inadequately capture true posterior complexity. Recent advancements have leveraged neural networks to model implicit distributions, offering increased flexibility. However, the practical constraints of neural network architectures still produces inaccuracies. In this paper, we propose a method called Implicit Variational Rejection Sampling (IVRS), which integrates implicit distributions with rejection sampling to improve the posterior approximation. Our method uses neural networks to construct implicit proposal distributions, and rejection sampling with a discriminator network that estimates the density ratio between the implicit proposal and the true posterior for refining the approximation. Towards this end, we introduce the Implicit Resampling Evidence Lower Bound (IR-ELBO) as a metric to characterize the resampled distribution's quality and derive a tighter variational lower bound. Experimental results demonstrate that our method outperforms traditional variational inference techniques.

Wei Chen, Shigui Li, Jiacheng Li et al.

Estimating density ratios is a fundamental problem in machine learning, but existing methods often trade off accuracy for efficiency. We propose \textit{Interval-annealed Secant Alignment Density Ratio Estimation (ISA-DRE)}, a framework that enables accurate, any-step estimation without numerical integration. Instead of modeling infinitesimal tangents as in prior methods, ISA-DRE learns a global secant function, defined as the expectation of all tangents over an interval, with provably lower variance, making it more suitable for neural approximation. This is made possible by the \emph{Secant Alignment Identity}, a self-consistency condition that formally connects the secant with its underlying tangent representations. To mitigate instability during early training, we introduce \emph{Contraction Interval Annealing}, a curriculum strategy that gradually expands the alignment interval during training. This process induces a contraction mapping, which improves convergence and training stability. Empirically, ISA-DRE achieves competitive accuracy with significantly fewer function evaluations compared to prior methods, resulting in much faster inference and making it well suited for real-time and interactive applications.