arXiv:2511.07472cs.LGcs.CV2025-11

提出可学习相关不确定性的多变量自编码器,提升生成质量与模型可靠性。

Multivariate Variational Autoencoder

  • 用全局耦合矩阵+样本自适应缩放,构建带相关性的多元高斯后验
  • 在多个数据集上显著改善校准度与聚类性能,低维高维皆有效
  • 适合关注生成模型可靠性、潜在空间结构的研究者

学习同时具备表达能力、几何结构良好且可靠校准的潜在表示,仍是变分自编码器(VAEs)的核心挑战。标准VAE通常假设对角高斯后验,虽简化优化,但排除了不确定性相关性,常导致潜在维度纠缠或冗余。本文提出多变量变分自编码器(MVAE),一种可计算的全协方差扩展模型,在编码器中引入样本特定的对角尺度和全局耦合矩阵,形成形式为 $N(μ_ϕ(x), C ext{diag}(σ_ϕ^2(x)) C^ op)$ 的多元高斯后验,实现潜在因子间的相关性,同时保持闭式KL散度与简单重参数化路径。除似然外,还提出多准则评估协议,联合评估重建质量(MSE, ELBO)、下游判别能力(线性探测)、概率校准(NLL, Brier, ECE)及无监督结构(NMI, ARI)。在Larochelle风格的MNIST变体、Fashion-MNIST、CIFAR-10/100上,MVAE始终匹配或超越同等容量的对角协方差VAE,尤其在低维与高维下校准与聚类指标提升明显。定性分析显示潜在空间遍历更平滑、语义更连贯,重构结果更清晰。所有代码、数据划分与评估工具均已公开,以支持可复现比较与未来拓展。

原文摘要 · Abstract (English)

Learning latent representations that are simultaneously expressive, geometrically well-structured, and reliably calibrated remains a central challenge for Variational Autoencoders (VAEs). Standard VAEs typically assume a diagonal Gaussian posterior, which simplifies optimization but rules out correlated uncertainty and often yields entangled or redundant latent dimensions. We introduce the Multivariate Variational Autoencoder (MVAE), a tractable full-covariance extension of the VAE that augments the encoder with sample-specific diagonal scales and a global coupling matrix. This induces a multivariate Gaussian posterior of the form $N(μ_ϕ(x), C \operatorname{diag}(σ_ϕ^2(x)) C^\top)$, enabling correlated latent factors while preserving a closed-form KL divergence and a simple reparameterization path. Beyond likelihood, we propose a multi-criterion evaluation protocol that jointly assesses reconstruction quality (MSE, ELBO), downstream discrimination (linear probes), probabilistic calibration (NLL, Brier, ECE), and unsupervised structure (NMI, ARI). Across Larochelle-style MNIST variants, Fashion-MNIST, and CIFAR-10/100, MVAE consistently matches or outperforms diagonal-covariance VAEs of comparable capacity, with particularly notable gains in calibration and clustering metrics at both low and high latent dimensions. Qualitative analyses further show smoother, more semantically coherent latent traversals and sharper reconstructions. All code, dataset splits, and evaluation utilities are released to facilitate reproducible comparison and future extensions of multivariate posterior models.

自编码器多变量潜在空间校准

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