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Variational Inference with Mixtures of Isotropic Gaussians

Neural Information Processing Systems

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.


Autoregressive Motion Generation with Gaussian Mixture-Guided Latent Sampling

Neural Information Processing Systems

Existing efforts in motion synthesis typically utilize either generative transformers with discrete representations or diffusion models with continuous representations. However, the discretization process in generative transformers can introduce motion errors, while the sampling process in diffusion models tends to be slow. In this paper, we propose a novel text-to-motion synthesis method GMMotion that combines a continuous motion representation with an autoregressive model, using the Gaussian mixture model (GMM) to represent the conditional probability distribution. Unlike prior autoregressive approaches relying on residual vector quantization, our model employs continuous motion representations derived from the VAE's latent space. This choice streamlines both the training and the inference processes while mitigating discretization errors. Specifically, we utilize a causal transformer to learn the distributions of continuous motion representations, which are modeled with a learnable Gaussian mixture model. Extensive experiments demonstrate that our model surpasses existing state-of-the-art models in the motion synthesis task.


Sampling from multi-modal distributions with polynomial query complexity in fixed dimension via reverse diffusion

Neural Information Processing Systems

Even in low dimensions, sampling from multi-modal distributions is challenging. We provide the first sampling algorithm for a broad class of distributions -- including all Gaussian mixtures -- with a query complexity that is polynomial in the parameters governing multi-modality, assuming fixed dimension. Our sampling algorithm simulates a time-reversed diffusion process, using a self-normalized Monte Carlo estimator of the intermediate score functions. Unlike previous works, it avoids metastability, requires no prior knowledge of the mode locations, and relaxes the well-known log-smoothness assumption which excluded general Gaussian mixtures so far.


A solvable model of learning generative diffusion: theory and insights

Neural Information Processing Systems

In this manuscript, we analyze a solvable model of flow or diffusion-based generative model. We consider the problem of learning a model parametrized by a two-layer auto-encoder, trained with online stochastic gradient descent, on a highdimensional target density with an underlying low-dimensional manifold structure. We derive a tight asymptotic characterization of low-dimensional projections of the distribution of samples generated by the learned model, ascertaining in particular its dependence on the number of training samples. Building on this analysis, we discuss how mode collapse can arise, and lead to model collapse when the generative model is re-trained on generated synthetic data.


Dead Directions: Geometric Singular Learning

arXiv.org Machine Learning

Singular learning theory and information geometry have studied the same parameter spaces in mostly separate vocabularies: the former computes Bayesian invariants in resolved coordinates, the latter works in original coordinates under a non-degeneracy assumption that overparameterised models routinely violate. We bridge them through one primitive, the dead direction: a unit vector along which the Fisher metric degenerates, equivalently a tangent to the analytic singular set with a definite KL order, set by how fast the KL divergence vanishes. The two readings name the same vector; our central move shows its KL order is recoverable as the decay rate of the directional Fisher curvature approaching the singularity, in original parameter coordinates and without a Hironaka resolution. A selection rule on smooth fibres translates this rate into Watanabe's single-direction contribution to the real log canonical threshold, and we extend the recovery to multi-component crossings, multiplicity $m$, the singular fluctuation $ν$ (universal in the KL order for 1D directions), prior-RLCT shifts, and tempered posteriors. We then lift this rate to a deep network: a multi-layer K-FAC factorisation writes each Fisher block as a product of activation- and gradient-side rates with a duality between them, instantiated at modern-network primitives (residual streams, layer normalisation, attention). A quotient theorem carries the rate to the gauge quotient $Θ/G$ under gradient flow on a $G$-invariant metric; SGD qualifies, standard Adam does not, and we construct a $G$-equivariant Adam-family preconditioner (DDCAdam) that does. The bridge yields a parameter-coordinate handle on singular geometry, closed-form per-architecture predictions, and a trajectory-rate readout of Watanabe's triple $(λ, m, ν)$ from one checkpoint's forward and backward passes, without posterior sampling.


A Mutual Information Lower Bound for Multimodal Regression Active Learning

arXiv.org Machine Learning

Active learning for continuous regression has lacked an acquisition function that targets epistemic uncertainty when the predictive distribution is multimodal: variance misses modal disagreement, and information-theoretic targets like BALD are designed for discrete outputs. We introduce a Two-Index framework that makes this separation explicit: one stochastic index selects among competing model hypotheses (epistemic source), while a second governs within-hypothesis randomness (aleatoric source). An entropy decomposition within the framework identifies the mutual information between the output and the epistemic index as a principled acquisition objective, and we prove this quantity vanishes as the model is trained on growing datasets, confirming that it captures exactly the uncertainty data can resolve. Because this mutual information is intractable for continuous outputs, we derive the Mutual Information Lower Bound (MI-LB) acquisition function, a closed-form approximation for Mixture Density Network ensembles. On benchmarks featuring multimodal systems, MI-LB matches or beats every baseline evaluated and is the only method to do so consistently -- geometric and Fisher-based baselines compete only when the input space already encodes the multimodality, and collapse otherwise.


Support-Conditioned Flow Matching Is Kernel Smoothing

arXiv.org Machine Learning

Generative models are often conditioned on a small set of examples via cross-attention. Under the Gaussian optimal-transport path, we show that the exact velocity field induced by a finite support set is a Nadaraya--Watson kernel smoother whose bandwidth decreases with flow time, from broad averaging at early steps to nearest-neighbor at late steps. A single Gaussian-kernel attention head exactly computes this field, connecting cross-attention conditioning to classical kernel theory. The theory predicts three failure regimes: nearest-neighbor collapse of the kernel at high dimension, mismatch between the isotropic kernel and the data geometry, and insufficient support for nonparametric estimation. Experiments on Gaussian mixtures, spherical shells, and DINOv2 ImageNet features confirm that learned conditioning improves in precisely these regimes, and that IP-Adapter's cross-attention implements approximate NW smoothing in practice.


Gaussian mixture models in Hilbert spaces via kernel methods

arXiv.org Machine Learning

Modern datasets across many disciplines increasingly consist of time-evolving, potentially infinite-dimensional random objects, such as dynamic functional data, which are naturally modeled in Hilbert spaces. In these settings, characterizing probability measures, for example, through densities, can be ill-defined or technically challenging. Motivated by clustering applications, we propose a Gaussian mixture framework for Hilbert-space-valued data based on kernel mean embeddings and develop efficient optimization algorithms for estimation. We establish theoretical guarantees showing that the proposed algorithm is well defined and that the model yields a dense class of approximations in infinite-dimensional spaces. We evaluate the framework through extensive experiments on diverse structures and data geometries, including $L^2$-functional data and random graphs in Laplacian spaces arising in modern medical applications.