Daily Papers

Score-based diffusion models are a class of generative models whose dynamics is described by stochastic differential equations that map noise into data. While recent works have started to lay down a theoretical foundation for these models, an analytical understanding of the role of the diffusion time T is still lacking. Current best practice advocates for a large T to ensure that the forward dynamics brings the diffusion sufficiently close to a known and simple noise distribution; however, a smaller value of T should be preferred for a better approximation of the score-matching objective and higher computational efficiency. Starting from a variational interpretation of diffusion models, in this work we quantify this trade-off, and suggest a new method to improve quality and efficiency of both training and sampling, by adopting smaller diffusion times. Indeed, we show how an auxiliary model can be used to bridge the gap between the ideal and the simulated forward dynamics, followed by a standard reverse diffusion process. Empirical results support our analysis; for image data, our method is competitive w.r.t. the state-of-the-art, according to standard sample quality metrics and log-likelihood.

In many environments only a tiny subset of all states yield high reward. In these cases, few of the interactions with the environment provide a relevant learning signal. Hence, we may want to preferentially train on those high-reward states and the probable trajectories leading to them. To this end, we advocate for the use of a backtracking model that predicts the preceding states that terminate at a given high-reward state. We can train a model which, starting from a high value state (or one that is estimated to have high value), predicts and sample for which the (state, action)-tuples may have led to that high value state. These traces of (state, action) pairs, which we refer to as Recall Traces, sampled from this backtracking model starting from a high value state, are informative as they terminate in good states, and hence we can use these traces to improve a policy. We provide a variational interpretation for this idea and a practical algorithm in which the backtracking model samples from an approximate posterior distribution over trajectories which lead to large rewards. Our method improves the sample efficiency of both on- and off-policy RL algorithms across several environments and tasks.

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.

Multimodal recommender systems amalgamate multimodal information (e.g., textual descriptions, images) into a collaborative filtering framework to provide more accurate recommendations. While the incorporation of multimodal information could enhance the interpretability of these systems, current multimodal models represent users and items utilizing entangled numerical vectors, rendering them arduous to interpret. To address this, we propose a Disentangled Graph Variational Auto-Encoder (DGVAE) that aims to enhance both model and recommendation interpretability. DGVAE initially projects multimodal information into textual contents, such as converting images to text, by harnessing state-of-the-art multimodal pre-training technologies. It then constructs a frozen item-item graph and encodes the contents and interactions into two sets of disentangled representations utilizing a simplified residual graph convolutional network. DGVAE further regularizes these disentangled representations through mutual information maximization, aligning the representations derived from the interactions between users and items with those learned from textual content. This alignment facilitates the interpretation of user binary interactions via text. Our empirical analysis conducted on three real-world datasets demonstrates that DGVAE significantly surpasses the performance of state-of-the-art baselines by a margin of 10.02%. We also furnish a case study from a real-world dataset to illustrate the interpretability of DGVAE. Code is available at: https://github.com/enoche/DGVAE.

Expert interpretation of anatomical images of the human brain is the central part of neuro-radiology. Several machine learning-based techniques have been proposed to assist in the analysis process. However, the ML models typically need to be trained to perform a specific task, e.g., brain tumour segmentation or classification. Not only do the corresponding training data require laborious manual annotations, but a wide variety of abnormalities can be present in a human brain MRI - even more than one simultaneously, which renders representation of all possible anomalies very challenging. Hence, a possible solution is an unsupervised anomaly detection (UAD) system that can learn a data distribution from an unlabelled dataset of healthy subjects and then be applied to detect out of distribution samples. Such a technique can then be used to detect anomalies - lesions or abnormalities, for example, brain tumours, without explicitly training the model for that specific pathology. Several Variational Autoencoder (VAE) based techniques have been proposed in the past for this task. Even though they perform very well on controlled artificially simulated anomalies, many of them perform poorly while detecting anomalies in clinical data. This research proposes a compact version of the "context-encoding" VAE (ceVAE) model, combined with pre and post-processing steps, creating a UAD pipeline (StRegA), which is more robust on clinical data, and shows its applicability in detecting anomalies such as tumours in brain MRIs. The proposed pipeline achieved a Dice score of 0.642pm0.101 while detecting tumours in T2w images of the BraTS dataset and 0.859pm0.112 while detecting artificially induced anomalies, while the best performing baseline achieved 0.522pm0.135 and 0.783pm0.111, respectively.

Given the ubiquity of deep neural networks, it is important that these models do not reveal information about sensitive data that they have been trained on. In model inversion attacks, a malicious user attempts to recover the private dataset used to train a supervised neural network. A successful model inversion attack should generate realistic and diverse samples that accurately describe each of the classes in the private dataset. In this work, we provide a probabilistic interpretation of model inversion attacks, and formulate a variational objective that accounts for both diversity and accuracy. In order to optimize this variational objective, we choose a variational family defined in the code space of a deep generative model, trained on a public auxiliary dataset that shares some structural similarity with the target dataset. Empirically, our method substantially improves performance in terms of target attack accuracy, sample realism, and diversity on datasets of faces and chest X-ray images.

Electronic Health Records (EHR) are high-dimensional data with implicit connections among thousands of medical concepts. These connections, for instance, the co-occurrence of diseases and lab-disease correlations can be informative when only a subset of these variables is documented by the clinician. A feasible approach to improving the representation learning of EHR data is to associate relevant medical concepts and utilize these connections. Existing medical ontologies can be the reference for EHR structures, but they place numerous constraints on the data source. Recent progress on graph neural networks (GNN) enables end-to-end learning of topological structures for non-grid or non-sequential data. However, there are problems to be addressed on how to learn the medical graph adaptively and how to understand the effect of the medical graph on representation learning. In this paper, we propose a variationally regularized encoder-decoder graph network that achieves more robustness in graph structure learning by regularizing node representations. Our model outperforms the existing graph and non-graph based methods in various EHR predictive tasks based on both public data and real-world clinical data. Besides the improvements in empirical experiment performances, we provide an interpretation of the effect of variational regularization compared to standard graph neural network, using singular value analysis.

Variational inference (VI) seeks to approximate a target distribution pi by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates pi by minimizing the Kullback-Leibler (KL) divergence to pi over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when pi is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when pi is only log-smooth.

A key advance in learning generative models is the use of amortized inference distributions that are jointly trained with the models. We find that existing training objectives for variational autoencoders can lead to inaccurate amortized inference distributions and, in some cases, improving the objective provably degrades the inference quality. In addition, it has been observed that variational autoencoders tend to ignore the latent variables when combined with a decoding distribution that is too flexible. We again identify the cause in existing training criteria and propose a new class of objectives (InfoVAE) that mitigate these problems. We show that our model can significantly improve the quality of the variational posterior and can make effective use of the latent features regardless of the flexibility of the decoding distribution. Through extensive qualitative and quantitative analyses, we demonstrate that our models outperform competing approaches on multiple performance metrics.

Stochastic gradient Markov Chain Monte Carlo (SGMCMC) is considered the gold standard for Bayesian inference in large-scale models, such as Bayesian neural networks. Since practitioners face speed versus accuracy tradeoffs in these models, variational inference (VI) is often the preferable option. Unfortunately, VI makes strong assumptions on both the factorization and functional form of the posterior. In this work, we propose a new non-parametric variational approximation that makes no assumptions about the approximate posterior's functional form and allows practitioners to specify the exact dependencies the algorithm should respect or break. The approach relies on a new Langevin-type algorithm that operates on a modified energy function, where parts of the latent variables are averaged over samples from earlier iterations of the Markov chain. This way, statistical dependencies can be broken in a controlled way, allowing the chain to mix faster. This scheme can be further modified in a "dropout" manner, leading to even more scalability. We test our scheme for ResNet-20 on CIFAR-10, SVHN, and FMNIST. In all cases, we find improvements in convergence speed and/or final accuracy compared to SG-MCMC and VI.

The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference, focusing on mean-field or other simple structured approximations. This restriction has a significant impact on the quality of inferences made using variational methods. We introduce a new approach for specifying flexible, arbitrarily complex and scalable approximate posterior distributions. Our approximations are distributions constructed through a normalizing flow, whereby a simple initial density is transformed into a more complex one by applying a sequence of invertible transformations until a desired level of complexity is attained. We use this view of normalizing flows to develop categories of finite and infinitesimal flows and provide a unified view of approaches for constructing rich posterior approximations. We demonstrate that the theoretical advantages of having posteriors that better match the true posterior, combined with the scalability of amortized variational approaches, provides a clear improvement in performance and applicability of variational inference.

Maximizing the log-likelihood is a crucial aspect of learning latent variable models, and variational inference (VI) stands as the commonly adopted method. However, VI can encounter challenges in achieving a high log-likelihood when dealing with complicated posterior distributions. In response to this limitation, we introduce a novel variational importance sampling (VIS) approach that directly estimates and maximizes the log-likelihood. VIS leverages the optimal proposal distribution, achieved by minimizing the forward chi^2 divergence, to enhance log-likelihood estimation. We apply VIS to various popular latent variable models, including mixture models, variational auto-encoders, and partially observable generalized linear models. Results demonstrate that our approach consistently outperforms state-of-the-art baselines, both in terms of log-likelihood and model parameter estimation.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

Variational AutoEncoders (VAEs) are powerful generative models that merge elements from statistics and information theory with the flexibility offered by deep neural networks to efficiently solve the generation problem for high dimensional data. The key insight of VAEs is to learn the latent distribution of data in such a way that new meaningful samples can be generated from it. This approach led to tremendous research and variations in the architectural design of VAEs, nourishing the recent field of research known as unsupervised representation learning. In this article, we provide a comparative evaluation of some of the most successful, recent variations of VAEs. We particularly focus the analysis on the energetic efficiency of the different models, in the spirit of the so called Green AI, aiming both to reduce the carbon footprint and the financial cost of generative techniques. For each architecture we provide its mathematical formulation, the ideas underlying its design, a detailed model description, a running implementation and quantitative results.

Variational autoencoders (VAEs) are one of the powerful unsupervised learning frameworks in NLP for latent representation learning and latent-directed generation. The classic optimization goal of VAEs is to maximize the Evidence Lower Bound (ELBo), which consists of a conditional likelihood for generation and a negative Kullback-Leibler (KL) divergence for regularization. In practice, optimizing ELBo often leads the posterior distribution of all samples converge to the same degenerated local optimum, namely posterior collapse or KL vanishing. There are effective ways proposed to prevent posterior collapse in VAEs, but we observe that they in essence make trade-offs between posterior collapse and hole problem, i.e., mismatch between the aggregated posterior distribution and the prior distribution. To this end, we introduce new training objectives to tackle both two problems through a novel regularization based on the probabilistic density gap between the aggregated posterior distribution and the prior distribution. Through experiments on language modeling, latent space visualization and interpolation, we show that our proposed method can solve both problems effectively and thus outperforms the existing methods in latent-directed generation. To the best of our knowledge, we are the first to jointly solve the hole problem and the posterior collapse.

The variational autoencoder (VAE; Kingma, Welling (2014)) is a recently proposed generative model pairing a top-down generative network with a bottom-up recognition network which approximates posterior inference. It typically makes strong assumptions about posterior inference, for instance that the posterior distribution is approximately factorial, and that its parameters can be approximated with nonlinear regression from the observations. As we show empirically, the VAE objective can lead to overly simplified representations which fail to use the network's entire modeling capacity. We present the importance weighted autoencoder (IWAE), a generative model with the same architecture as the VAE, but which uses a strictly tighter log-likelihood lower bound derived from importance weighting. In the IWAE, the recognition network uses multiple samples to approximate the posterior, giving it increased flexibility to model complex posteriors which do not fit the VAE modeling assumptions. We show empirically that IWAEs learn richer latent space representations than VAEs, leading to improved test log-likelihood on density estimation benchmarks.

Meta-learning algorithms are able to learn a new task using previously learned knowledge, but they often require a large number of meta-training tasks which may not be readily available. To address this issue, we propose a method for few-shot learning with fewer tasks, which we call MetaModulation. The key idea is to use a neural network to increase the density of the meta-training tasks by modulating batch normalization parameters during meta-training. Additionally, we modify parameters at various network levels, rather than just a single layer, to increase task diversity. To account for the uncertainty caused by the limited training tasks, we propose a variational MetaModulation where the modulation parameters are treated as latent variables. We also introduce learning variational feature hierarchies by the variational MetaModulation, which modulates features at all layers and can consider task uncertainty and generate more diverse tasks. The ablation studies illustrate the advantages of utilizing a learnable task modulation at different levels and demonstrate the benefit of incorporating probabilistic variants in few-task meta-learning. Our MetaModulation and its variational variants consistently outperform state-of-the-art alternatives on four few-task meta-learning benchmarks.

We propose an extension of the decoder Transformer that conditions its generative process on random latent variables which are learned without supervision thanks to a variational procedure. Experimental evaluations show that allowing such a conditioning translates into substantial improvements on downstream tasks.

The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational inference and learning algorithm that scales to large datasets and, under some mild differentiability conditions, even works in the intractable case. Our contributions are two-fold. First, we show that a reparameterization of the variational lower bound yields a lower bound estimator that can be straightforwardly optimized using standard stochastic gradient methods. Second, we show that for i.i.d. datasets with continuous latent variables per datapoint, posterior inference can be made especially efficient by fitting an approximate inference model (also called a recognition model) to the intractable posterior using the proposed lower bound estimator. Theoretical advantages are reflected in experimental results.

While Chain-of-Thought (CoT) significantly enhances the performance of Large Language Models (LLMs), explicit reasoning chains introduce substantial computational redundancy. Recent latent reasoning methods attempt to mitigate this by compressing reasoning processes into latent space, but often suffer from severe performance degradation due to the lack of appropriate compression guidance. In this study, we propose Rendered CoT-Guided variational Latent Reasoning (ReGuLaR), a simple yet novel latent learning paradigm resolving this issue. Fundamentally, we formulate latent reasoning within the Variational Auto-Encoding (VAE) framework, sampling the current latent reasoning state from the posterior distribution conditioned on previous ones. Specifically, when learning this variational latent reasoning model, we render explicit reasoning chains as images, from which we extract dense visual-semantic representations to regularize the posterior distribution, thereby achieving efficient compression with minimal information loss. Extensive experiments demonstrate that ReGuLaR significantly outperforms existing latent reasoning methods across both computational efficiency and reasoning effectiveness, and even surpasses CoT through multi-modal reasoning, providing a new and insightful solution to latent reasoning. Code: https://github.com/FanmengWang/ReGuLaR.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

In this paper, a novel self-supervised learning (SSL) method is proposed, which learns not only representations but also representations uncertainties by considering SSL in terms of variational inference. SSL is a method of learning representation without labels by maximizing the similarity between image representations of different augmented views of the same image. Variational autoencoder (VAE) is an unsupervised representation learning method that trains a probabilistic generative model with variational inference. VAE and SSL can learn representations without labels, but the relationship between VAE and SSL has not been revealed. In this paper, the theoretical relationship between SSL and variational inference is clarified. In addition, variational inference SimSiam (VI-SimSiam) is proposed, which can predict the representation uncertainty by interpreting SimSiam with variational inference and defining the latent space distribution. The experiment qualitatively showed that VISimSiam could learn uncertainty by comparing input images and predicted uncertainties. We also revealed a relationship between estimated uncertainty and classification accuracy.

Variational autoencoders (VAEs) are one of the deep generative models that have experienced enormous success over the past decades. However, in practice, they suffer from a problem called posterior collapse, which occurs when the encoder coincides, or collapses, with the prior taking no information from the latent structure of the input data into consideration. In this work, we introduce an inverse Lipschitz neural network into the decoder and, based on this architecture, provide a new method that can control in a simple and clear manner the degree of posterior collapse for a wide range of VAE models equipped with a concrete theoretical guarantee. We also illustrate the effectiveness of our method through several numerical experiments.

Multiple types of inference are available for probabilistic graphical models, e.g., marginal, maximum-a-posteriori, and even marginal maximum-a-posteriori. Which one do researchers mean when they talk about ``planning as inference''? There is no consistency in the literature, different types are used, and their ability to do planning is further entangled with specific approximations or additional constraints. In this work we use the variational framework to show that, just like all commonly used types of inference correspond to different weightings of the entropy terms in the variational problem, planning corresponds exactly to a different set of weights. This means that all the tricks of variational inference are readily applicable to planning. We develop an analogue of loopy belief propagation that allows us to perform approximate planning in factored-state Markov decisions processes without incurring intractability due to the exponentially large state space. The variational perspective shows that the previous types of inference for planning are only adequate in environments with low stochasticity, and allows us to characterize each type by its own merits, disentangling the type of inference from the additional approximations that its practical use requires. We validate these results empirically on synthetic MDPs and tasks posed in the International Planning Competition.

Variational autoencoders provide a principled framework for learning deep latent-variable models and corresponding inference models. In this work, we provide an introduction to variational autoencoders and some important extensions.

We introduce a variational reasoning framework for language models that treats thinking traces as latent variables and optimizes them through variational inference. Starting from the evidence lower bound (ELBO), we extend it to a multi-trace objective for tighter bounds and propose a forward-KL formulation that stabilizes the training of the variational posterior. We further show that rejection sampling finetuning and binary-reward RL, including GRPO, can be interpreted as local forward-KL objectives, where an implicit weighting by model accuracy naturally arises from the derivation and reveals a previously unnoticed bias toward easier questions. We empirically validate our method on the Qwen 2.5 and Qwen 3 model families across a wide range of reasoning tasks. Overall, our work provides a principled probabilistic perspective that unifies variational inference with RL-style methods and yields stable objectives for improving the reasoning ability of language models. Our code is available at https://github.com/sail-sg/variational-reasoning.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

Attention-based models such as Transformers and recurrent models like state space models (SSMs) have emerged as successful methods for autoregressive sequence modeling. Although both enable parallel training, none enable parallel generation due to their autoregressiveness. We propose the variational SSM (VSSM), a variational autoencoder (VAE) where both the encoder and decoder are SSMs. Since sampling the latent variables and decoding them with the SSM can be parallelized, both training and generation can be conducted in parallel. Moreover, the decoder recurrence allows generation to be resumed without reprocessing the whole sequence. Finally, we propose the autoregressive VSSM that can be conditioned on a partial realization of the sequence, as is common in language generation tasks. Interestingly, the autoregressive VSSM still enables parallel generation. We highlight on toy problems (MNIST, CIFAR) the empirical gains in speed-up and show that it competes with traditional models in terms of generation quality (Transformer, Mamba SSM).

Sparse Autoencoders (SAEs) have emerged as a promising approach for interpreting neural network representations by learning sparse, human-interpretable features from dense activations. We investigate whether incorporating variational methods into SAE architectures can improve feature organization and interpretability. We introduce the Variational Sparse Autoencoder (vSAE), which replaces deterministic ReLU gating with stochastic sampling from learned Gaussian posteriors and incorporates KL divergence regularization toward a standard normal prior. Our hypothesis is that this probabilistic sampling creates dispersive pressure, causing features to organize more coherently in the latent space while avoiding overlap. We evaluate a TopK vSAE against a standard TopK SAE on Pythia-70M transformer residual stream activations using comprehensive benchmarks including SAE Bench, individual feature interpretability analysis, and global latent space visualization through t-SNE. The vSAE underperforms standard SAE across core evaluation metrics, though excels at feature independence and ablation metrics. The KL divergence term creates excessive regularization pressure that substantially reduces the fraction of living features, leading to observed performance degradation. While vSAE features demonstrate improved robustness, they exhibit many more dead features than baseline. Our findings suggest that naive application of variational methods to SAEs does not improve feature organization or interpretability.

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the latter, however, and failure to do so leads to a frequent failure mode called posterior collapse. Even in successful cases, VAEs often result in low-precision reconstructions and generated samples. The introduction of the KL-divergence weight beta can help steer the model clear of posterior collapse, but its tuning is often a trial-and-error process with no guiding metrics. Here we test the idea of using the total VAE loss of generated samples (generated loss) as the proxy metric for generation quality, the related hypothesis that VAE reconstruction from the mean latent vector tends to be a more typical example of its class than the original, and the idea of exploiting this property by augmenting training data with generated variants (augmented training). The results are mixed, but repeated encoding and decoding indeed result in qualitatively and quantitatively more typical examples from both convolutional and fully-connected MNIST VAEs, suggesting that it may be an inherent property of the VAE framework.

Variational inference is becoming more and more popular for approximating intractable posterior distributions in Bayesian statistics and machine learning. Meanwhile, a few recent works have provided theoretical justification and new insights on deep neural networks for estimating smooth functions in usual settings such as nonparametric regression. In this paper, we show that variational inference for sparse deep learning retains the same generalization properties than exact Bayesian inference. In particular, we highlight the connection between estimation and approximation theories via the classical bias-variance trade-off and show that it leads to near-minimax rates of convergence for H\"older smooth functions. Additionally, we show that the model selection framework over the neural network architecture via ELBO maximization does not overfit and adaptively achieves the optimal rate of convergence.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

Jointly identifying a mixture of discrete and continuous factors of variability without supervision is a key problem in unraveling complex phenomena. Variational inference has emerged as a promising method to learn interpretable mixture representations. However, posterior approximation in high-dimensional latent spaces, particularly for discrete factors remains challenging. Here, we propose an unsupervised variational framework using multiple interacting networks called cpl-mixVAE that scales well to high-dimensional discrete settings. In this framework, the mixture representation of each network is regularized by imposing a consensus constraint on the discrete factor. We justify the use of this framework by providing both theoretical and experimental results. Finally, we use the proposed method to jointly uncover discrete and continuous factors of variability describing gene expression in a single-cell transcriptomic dataset profiling more than a hundred cortical neuron types.

The Variational Autoencoder (VAE) is a seminal approach in deep generative modeling with latent variables. Interpreting its reconstruction process as a nonlinear transformation of samples from the latent posterior distribution, we apply the Unscented Transform (UT) -- a well-known distribution approximation used in the Unscented Kalman Filter (UKF) from the field of filtering. A finite set of statistics called sigma points, sampled deterministically, provides a more informative and lower-variance posterior representation than the ubiquitous noise-scaling of the reparameterization trick, while ensuring higher-quality reconstruction. We further boost the performance by replacing the Kullback-Leibler (KL) divergence with the Wasserstein distribution metric that allows for a sharper posterior. Inspired by the two components, we derive a novel, deterministic-sampling flavor of the VAE, the Unscented Autoencoder (UAE), trained purely with regularization-like terms on the per-sample posterior. We empirically show competitive performance in Fr\'echet Inception Distance (FID) scores over closely-related models, in addition to a lower training variance than the VAE.

Variational Autoencoders (VAEs) have become a cornerstone in generative modeling and representation learning within machine learning. This paper explores a nuanced aspect of VAEs, focusing on interpreting the Kullback-Leibler (KL) Divergence, a critical component within the Evidence Lower Bound (ELBO) that governs the trade-off between reconstruction accuracy and regularization. Meanwhile, the KL Divergence enforces alignment between latent variable distributions and a prior imposing a structure on the overall latent space but leaves individual variable distributions unconstrained. The proposed method redefines the ELBO with a mixture of Gaussians for the posterior probability, introduces a regularization term to prevent variance collapse, and employs a PatchGAN discriminator to enhance texture realism. Implementation details involve ResNetV2 architectures for both the Encoder and Decoder. The experiments demonstrate the ability to generate realistic faces, offering a promising solution for enhancing VAE-based generative models.

We introduce a deterministic variational formulation for training Bayesian last layer neural networks. This yields a sampling-free, single-pass model and loss that effectively improves uncertainty estimation. Our variational Bayesian last layer (VBLL) can be trained and evaluated with only quadratic complexity in last layer width, and is thus (nearly) computationally free to add to standard architectures. We experimentally investigate VBLLs, and show that they improve predictive accuracy, calibration, and out of distribution detection over baselines across both regression and classification. Finally, we investigate combining VBLL layers with variational Bayesian feature learning, yielding a lower variance collapsed variational inference method for Bayesian neural networks.

Regularization of inverse problems is of paramount importance in computational imaging. The ability of neural networks to learn efficient image representations has been recently exploited to design powerful data-driven regularizers. While state-of-the-art plug-and-play (PnP) methods rely on an implicit regularization provided by neural denoisers, alternative Bayesian approaches consider Maximum A Posteriori (MAP) estimation in the latent space of a generative model, thus with an explicit regularization. However, state-of-the-art deep generative models require a huge amount of training data compared to denoisers. Besides, their complexity hampers the optimization involved in latent MAP derivation. In this work, we first propose to use compressive autoencoders instead. These networks, which can be seen as variational autoencoders with a flexible latent prior, are smaller and easier to train than state-of-the-art generative models. As a second contribution, we introduce the Variational Bayes Latent Estimation (VBLE) algorithm, which performs latent estimation within the framework of variational inference. Thanks to a simple yet efficient parameterization of the variational posterior, VBLE allows for fast and easy (approximate) posterior sampling. Experimental results on image datasets BSD and FFHQ demonstrate that VBLE reaches similar performance as state-of-the-art PnP methods, while being able to quantify uncertainties significantly faster than other existing posterior sampling techniques. The code associated to this paper is available in https://github.com/MaudBqrd/VBLE.

Neural attention has become central to many state-of-the-art models in natural language processing and related domains. Attention networks are an easy-to-train and effective method for softly simulating alignment; however, the approach does not marginalize over latent alignments in a probabilistic sense. This property makes it difficult to compare attention to other alignment approaches, to compose it with probabilistic models, and to perform posterior inference conditioned on observed data. A related latent approach, hard attention, fixes these issues, but is generally harder to train and less accurate. This work considers variational attention networks, alternatives to soft and hard attention for learning latent variable alignment models, with tighter approximation bounds based on amortized variational inference. We further propose methods for reducing the variance of gradients to make these approaches computationally feasible. Experiments show that for machine translation and visual question answering, inefficient exact latent variable models outperform standard neural attention, but these gains go away when using hard attention based training. On the other hand, variational attention retains most of the performance gain but with training speed comparable to neural attention.

Document editing has become a pervasive component of the production of information, with version control systems enabling edits to be efficiently stored and applied. In light of this, the task of learning distributed representations of edits has been recently proposed. With this in mind, we propose a novel approach that employs variational inference to learn a continuous latent space of vector representations to capture the underlying semantic information with regard to the document editing process. We achieve this by introducing a latent variable to explicitly model the aforementioned features. This latent variable is then combined with a document representation to guide the generation of an edited version of this document. Additionally, to facilitate standardized automatic evaluation of edit representations, which has heavily relied on direct human input thus far, we also propose a suite of downstream tasks, PEER, specifically designed to measure the quality of edit representations in the context of natural language processing.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

We present Variational Self-Supervised Learning (VSSL), a novel framework that combines variational inference with self-supervised learning to enable efficient, decoder-free representation learning. Unlike traditional VAEs that rely on input reconstruction via a decoder, VSSL symmetrically couples two encoders with Gaussian outputs. A momentum-updated teacher network defines a dynamic, data-dependent prior, while the student encoder produces an approximate posterior from augmented views. The reconstruction term in the ELBO is replaced with a cross-view denoising objective, preserving the analytical tractability of Gaussian KL divergence. We further introduce cosine-based formulations of KL and log-likelihood terms to enhance semantic alignment in high-dimensional latent spaces. Experiments on CIFAR-10, CIFAR-100, and ImageNet-100 show that VSSL achieves competitive or superior performance to leading self-supervised methods, including BYOL and MoCo V3. VSSL offers a scalable, probabilistically grounded approach to learning transferable representations without generative reconstruction, bridging the gap between variational modeling and modern self-supervised techniques.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

Variational auto-encoders are powerful probabilistic models in generative tasks but suffer from generating low-quality samples which are caused by the holes in the prior. We propose the Coupled Variational Auto-Encoder (C-VAE), which formulates the VAE problem as one of Optimal Transport (OT) between the prior and data distributions. The C-VAE allows greater flexibility in priors and natural resolution of the prior hole problem by enforcing coupling between the prior and the data distribution and enables flexible optimization through the primal, dual, and semi-dual formulations of entropic OT. Simulations on synthetic and real data show that the C-VAE outperforms alternatives including VAE, WAE, and InfoVAE in fidelity to the data, quality of the latent representation, and in quality of generated samples.

Disentangled representations, where the higher level data generative factors are reflected in disjoint latent dimensions, offer several benefits such as ease of deriving invariant representations, transferability to other tasks, interpretability, etc. We consider the problem of unsupervised learning of disentangled representations from large pool of unlabeled observations, and propose a variational inference based approach to infer disentangled latent factors. We introduce a regularizer on the expectation of the approximate posterior over observed data that encourages the disentanglement. We also propose a new disentanglement metric which is better aligned with the qualitative disentanglement observed in the decoder's output. We empirically observe significant improvement over existing methods in terms of both disentanglement and data likelihood (reconstruction quality).

We develop data-driven methods for incorporating physical information for priors to learn parsimonious representations of nonlinear systems arising from parameterized PDEs and mechanics. Our approach is based on Variational Autoencoders (VAEs) for learning from observations nonlinear state space models. We develop ways to incorporate geometric and topological priors through general manifold latent space representations. We investigate the performance of our methods for learning low dimensional representations for the nonlinear Burgers equation and constrained mechanical systems.

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning interpretable latent representations for undirected graphs. We demonstrate this model using a graph convolutional network (GCN) encoder and a simple inner product decoder. Our model achieves competitive results on a link prediction task in citation networks. In contrast to most existing models for unsupervised learning on graph-structured data and link prediction, our model can naturally incorporate node features, which significantly improves predictive performance on a number of benchmark datasets.

In variational inference, the benefits of Bayesian models rely on accurately capturing the true posterior distribution. We propose using neural samplers that specify implicit distributions, which are well-suited for approximating complex multimodal and correlated posteriors in high-dimensional spaces. Our approach introduces novel bounds for approximate inference using implicit distributions by locally linearising the neural sampler. This is distinct from existing methods that rely on additional discriminator networks and unstable adversarial objectives. Furthermore, we present a new sampler architecture that, for the first time, enables implicit distributions over tens of millions of latent variables, addressing computational concerns by using differentiable numerical approximations. We empirically show that our method is capable of recovering correlations across layers in large Bayesian neural networks, a property that is crucial for a network's performance but notoriously challenging to achieve. To the best of our knowledge, no other method has been shown to accomplish this task for such large models. Through experiments in downstream tasks, we demonstrate that our expressive posteriors outperform state-of-the-art uncertainty quantification methods, validating the effectiveness of our training algorithm and the quality of the learned implicit approximation.

The past several years have witnessed Variational Auto-Encoder's superiority in various text generation tasks. However, due to the sequential nature of the text, auto-regressive decoders tend to ignore latent variables and then reduce to simple language models, known as the KL vanishing problem, which would further deteriorate when VAE is combined with Transformer-based structures. To ameliorate this problem, we propose DELLA, a novel variational Transformer framework. DELLA learns a series of layer-wise latent variables with each inferred from those of lower layers and tightly coupled with the hidden states by low-rank tensor product. In this way, DELLA forces these posterior latent variables to be fused deeply with the whole computation path and hence incorporate more information. We theoretically demonstrate that our method can be regarded as entangling latent variables to avoid posterior information decrease through layers, enabling DELLA to get higher non-zero KL values even without any annealing or thresholding tricks. Experiments on four unconditional and three conditional generation tasks show that DELLA could better alleviate KL vanishing and improve both quality and diversity compared to several strong baselines.

Variational Autoencoders (VAEs) have gained significant popularity among researchers as a powerful tool for understanding unknown distributions based on limited samples. This popularity stems partly from their impressive performance and partly from their ability to provide meaningful feature representations in the latent space. Wasserstein Autoencoders (WAEs), a variant of VAEs, aim to not only improve model efficiency but also interpretability. However, there has been limited focus on analyzing their statistical guarantees. The matter is further complicated by the fact that the data distributions to which WAEs are applied - such as natural images - are often presumed to possess an underlying low-dimensional structure within a high-dimensional feature space, which current theory does not adequately account for, rendering known bounds inefficient. To bridge the gap between the theory and practice of WAEs, in this paper, we show that WAEs can learn the data distributions when the network architectures are properly chosen. We show that the convergence rates of the expected excess risk in the number of samples for WAEs are independent of the high feature dimension, instead relying only on the intrinsic dimension of the data distribution.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate for stationary kernels than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate collaborative filtering research.We introduce a generative model with multinomial likelihood and use Bayesian inference for parameter estimation. Despite widespread use in language modeling and economics, the multinomial likelihood receives less attention in the recommender systems literature. We introduce a different regularization parameter for the learning objective, which proves to be crucial for achieving competitive performance. Remarkably, there is an efficient way to tune the parameter using annealing. The resulting model and learning algorithm has information-theoretic connections to maximum entropy discrimination and the information bottleneck principle. Empirically, we show that the proposed approach significantly outperforms several state-of-the-art baselines, including two recently-proposed neural network approaches, on several real-world datasets. We also provide extended experiments comparing the multinomial likelihood with other commonly used likelihood functions in the latent factor collaborative filtering literature and show favorable results. Finally, we identify the pros and cons of employing a principled Bayesian inference approach and characterize settings where it provides the most significant improvements.

In discriminative settings such as regression and classification there are two random variables at play, the inputs X and the targets Y. Here, we demonstrate that the Variational Information Bottleneck can be viewed as a compromise between fully empirical and fully Bayesian objectives, attempting to minimize the risks due to finite sampling of Y only. We argue that this approach provides some of the benefits of Bayes while requiring only some of the work.

We give extensive empirical evidence against the common belief that variational learning is ineffective for large neural networks. We show that an optimizer called Improved Variational Online Newton (IVON) consistently matches or outperforms Adam for training large networks such as GPT-2 and ResNets from scratch. IVON's computational costs are nearly identical to Adam but its predictive uncertainty is better. We show several new use cases of IVON where we improve finetuning and model merging in Large Language Models, accurately predict generalization error, and faithfully estimate sensitivity to data. We find overwhelming evidence that variational learning is effective.

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

A large part of the literature on learning disentangled representations focuses on variational autoencoders (VAE). Recent developments demonstrate that disentanglement cannot be obtained in a fully unsupervised setting without inductive biases on models and data. However, Khemakhem et al., AISTATS, 2020 suggest that employing a particular form of factorized prior, conditionally dependent on auxiliary variables complementing input observations, can be one such bias, resulting in an identifiable model with guarantees on disentanglement. Working along this line, we propose a novel VAE-based generative model with theoretical guarantees on identifiability. We obtain our conditional prior over the latents by learning an optimal representation, which imposes an additional strength on their regularization. We also extend our method to semi-supervised settings. Experimental results indicate superior performance with respect to state-of-the-art approaches, according to several established metrics proposed in the literature on disentanglement.

We present new intuitions and theoretical assessments of the emergence of disentangled representation in variational autoencoders. Taking a rate-distortion theory perspective, we show the circumstances under which representations aligned with the underlying generative factors of variation of data emerge when optimising the modified ELBO bound in beta-VAE, as training progresses. From these insights, we propose a modification to the training regime of beta-VAE, that progressively increases the information capacity of the latent code during training. This modification facilitates the robust learning of disentangled representations in beta-VAE, without the previous trade-off in reconstruction accuracy.

Masked diffusion models have recently emerged as a flexible framework for discrete generative modeling. However, a key limitation of standard masked diffusion is its inability to effectively capture dependencies among tokens that are predicted concurrently, leading to degraded generation quality when dependencies among tokens are important. To explicitly model dependencies among tokens, we propose Variational Masked Diffusion (VMD), a framework that introduces latent variables into the masked diffusion process. Through controlled experiments on synthetic datasets, we demonstrate that VMD successfully learns dependencies that conventional masked diffusion fails to capture. We further validate the effectiveness of our approach on Sudoku puzzles and text datasets, where learning of dependencies among tokens improves global consistency. Across these domains, VMD enhances both generation quality and dependency awareness, highlighting the value of integrating variational inference into masked diffusion. Our code is available at: https://riccizz.github.io/VMD.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

The variational autoencoder (VAE) is a popular, deep, latent-variable model (DLVM) due to its simple yet effective formulation for modeling the data distribution. Moreover, optimizing the VAE objective function is more manageable than other DLVMs. The bottleneck dimension of the VAE is a crucial design choice, and it has strong ramifications for the model's performance, such as finding the hidden explanatory factors of a dataset using the representations learned by the VAE. However, the size of the latent dimension of the VAE is often treated as a hyperparameter estimated empirically through trial and error. To this end, we propose a statistical formulation to discover the relevant latent factors required for modeling a dataset. In this work, we use a hierarchical prior in the latent space that estimates the variance of the latent axes using the encoded data, which identifies the relevant latent dimensions. For this, we replace the fixed prior in the VAE objective function with a hierarchical prior, keeping the remainder of the formulation unchanged. We call the proposed method the automatic relevancy detection in the variational autoencoder (ARD-VAE). We demonstrate the efficacy of the ARD-VAE on multiple benchmark datasets in finding the relevant latent dimensions and their effect on different evaluation metrics, such as FID score and disentanglement analysis.

Machine learning systems are often deployed in domains that entail data from multiple modalities, for example, phenotypic and genotypic characteristics describe patients in healthcare. Previous works have developed multimodal variational autoencoders (VAEs) that generate several modalities. We consider subjective data, where single datapoints from one modality (such as class labels) describe multiple datapoints from another modality (such as images). We theoretically and empirically demonstrate that multimodal VAEs with a mixture of experts posterior can struggle to capture variability in such surjective data.

This paper proposes a new type of generative model that is able to quickly learn a latent representation without an encoder. This is achieved using empirical Bayes to calculate the expectation of the posterior, which is implemented by initialising a latent vector with zeros, then using the gradient of the log-likelihood of the data with respect to this zero vector as new latent points. The approach has similar characteristics to autoencoders, but with a simpler architecture, and is demonstrated in a variational autoencoder equivalent that permits sampling. This also allows implicit representation networks to learn a space of implicit functions without requiring a hypernetwork, retaining their representation advantages across datasets. The experiments show that the proposed method converges faster, with significantly lower reconstruction error than autoencoders, while requiring half the parameters.

Multimodal variational autoencoders (VAEs) have shown promise as efficient generative models for weakly-supervised data. Yet, despite their advantage of weak supervision, they exhibit a gap in generative quality compared to unimodal VAEs, which are completely unsupervised. In an attempt to explain this gap, we uncover a fundamental limitation that applies to a large family of mixture-based multimodal VAEs. We prove that the sub-sampling of modalities enforces an undesirable upper bound on the multimodal ELBO and thereby limits the generative quality of the respective models. Empirically, we showcase the generative quality gap on both synthetic and real data and present the tradeoffs between different variants of multimodal VAEs. We find that none of the existing approaches fulfills all desired criteria of an effective multimodal generative model when applied on more complex datasets than those used in previous benchmarks. In summary, we identify, formalize, and validate fundamental limitations of VAE-based approaches for modeling weakly-supervised data and discuss implications for real-world applications.

We investigate a variational method for ill-posed problems, named graphLa+Psi, which embeds a graph Laplacian operator in the regularization term. The novelty of this method lies in constructing the graph Laplacian based on a preliminary approximation of the solution, which is obtained using any existing reconstruction method Psi from the literature. As a result, the regularization term is both dependent on and adaptive to the observed data and noise. We demonstrate that graphLa+Psi is a regularization method and rigorously establish both its convergence and stability properties. We present selected numerical experiments in 2D computerized tomography, wherein we integrate the graphLa+Psi method with various reconstruction techniques Psi, including Filter Back Projection (graphLa+FBP), standard Tikhonov (graphLa+Tik), Total Variation (graphLa+TV), and a trained deep neural network (graphLa+Net). The graphLa+Psi approach significantly enhances the quality of the approximated solutions for each method Psi. Notably, graphLa+Net is outperforming, offering a robust and stable application of deep neural networks in solving inverse problems.

Powerful generative models, particularly in Natural Language Modelling, are commonly trained by maximizing a variational lower bound on the data log likelihood. These models often suffer from poor use of their latent variable, with ad-hoc annealing factors used to encourage retention of information in the latent variable. We discuss an alternative and general approach to latent variable modelling, based on an objective that combines the data log likelihood as well as the likelihood of a perfect reconstruction through an autoencoder. Tying these together ensures by design that the latent variable captures information about the observations, whilst retaining the ability to generate well. Interestingly, though this approach is a priori unrelated to VAEs, the lower bound attained is identical to the standard VAE bound but with the addition of a simple pre-factor; thus, providing a formal interpretation of the commonly used, ad-hoc pre-factors in training VAEs.

The ability of Variational Autoencoders to learn disentangled representations has made them appealing for practical applications. However, their mean representations, which are generally used for downstream tasks, have recently been shown to be more correlated than their sampled counterpart, on which disentanglement is usually measured. In this paper, we refine this observation through the lens of selective posterior collapse, which states that only a subset of the learned representations, the active variables, is encoding useful information while the rest (the passive variables) is discarded. We first extend the existing definition to multiple data examples and show that active variables are equally disentangled in mean and sampled representations. Based on this extension and the pre-trained models from disentanglement lib, we then isolate the passive variables and show that they are responsible for the discrepancies between mean and sampled representations. Specifically, passive variables exhibit high correlation scores with other variables in mean representations while being fully uncorrelated in sampled ones. We thus conclude that despite what their higher correlation might suggest, mean representations are still good candidates for downstream tasks applications. However, it may be beneficial to remove their passive variables, especially when used with models sensitive to correlated features.

Modeling latent variables with priors and hyperpriors is an essential problem in variational image compression. Formally, trade-off between rate and distortion is handled well if priors and hyperpriors precisely describe latent variables. Current practices only adopt univariate priors and process each variable individually. However, we find inter-correlations and intra-correlations exist when observing latent variables in a vectorized perspective. These findings reveal visual redundancies to improve rate-distortion performance and parallel processing ability to speed up compression. This encourages us to propose a novel vectorized prior. Specifically, a multivariate Gaussian mixture is proposed with means and covariances to be estimated. Then, a novel probabilistic vector quantization is utilized to effectively approximate means, and remaining covariances are further induced to a unified mixture and solved by cascaded estimation without context models involved. Furthermore, codebooks involved in quantization are extended to multi-codebooks for complexity reduction, which formulates an efficient compression procedure. Extensive experiments on benchmark datasets against state-of-the-art indicate our model has better rate-distortion performance and an impressive 3.18times compression speed up, giving us the ability to perform real-time, high-quality variational image compression in practice. Our source code is publicly available at https://github.com/xiaosu-zhu/McQuic.

Diffusion models have shown incredible capabilities as generative models; indeed, they power the current state-of-the-art models on text-conditioned image generation such as Imagen and DALL-E 2. In this work we review, demystify, and unify the understanding of diffusion models across both variational and score-based perspectives. We first derive Variational Diffusion Models (VDM) as a special case of a Markovian Hierarchical Variational Autoencoder, where three key assumptions enable tractable computation and scalable optimization of the ELBO. We then prove that optimizing a VDM boils down to learning a neural network to predict one of three potential objectives: the original source input from any arbitrary noisification of it, the original source noise from any arbitrarily noisified input, or the score function of a noisified input at any arbitrary noise level. We then dive deeper into what it means to learn the score function, and connect the variational perspective of a diffusion model explicitly with the Score-based Generative Modeling perspective through Tweedie's Formula. Lastly, we cover how to learn a conditional distribution using diffusion models via guidance.

Recent research has shown a strong theoretical connection between variational autoencoders (VAEs) and the rate-distortion theory. Motivated by this, we consider the problem of lossy image compression from the perspective of generative modeling. Starting with ResNet VAEs, which are originally designed for data (image) distribution modeling, we redesign their latent variable model using a quantization-aware posterior and prior, enabling easy quantization and entropy coding at test time. Along with improved neural network architecture, we present a powerful and efficient model that outperforms previous methods on natural image lossy compression. Our model compresses images in a coarse-to-fine fashion and supports parallel encoding and decoding, leading to fast execution on GPUs. Code is available at https://github.com/duanzhiihao/lossy-vae.

Variational Autoencoders (VAEs) remain a cornerstone of generative computer vision, yet their training is often plagued by artifacts that degrade reconstruction and generation quality. This paper introduces VIVAT, a systematic approach to mitigating common artifacts in KL-VAE training without requiring radical architectural changes. We present a detailed taxonomy of five prevalent artifacts - color shift, grid patterns, blur, corner and droplet artifacts - and analyze their root causes. Through straightforward modifications, including adjustments to loss weights, padding strategies, and the integration of Spatially Conditional Normalization, we demonstrate significant improvements in VAE performance. Our method achieves state-of-the-art results in image reconstruction metrics (PSNR and SSIM) across multiple benchmarks and enhances text-to-image generation quality, as evidenced by superior CLIP scores. By preserving the simplicity of the KL-VAE framework while addressing its practical challenges, VIVAT offers actionable insights for researchers and practitioners aiming to optimize VAE training.

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world continuous-time dynamic systems with inherent noise and randomness. Combining SDEs with the powerful inference capabilities of variational methods, enables the learning of representative function distributions through stochastic gradient descent. However, conventional SDEs typically assume the underlying noise to follow a Brownian motion (BM), which hinders their ability to capture long-term dependencies. In contrast, fractional Brownian motion (fBM) extends BM to encompass non-Markovian dynamics, but existing methods for inferring fBM parameters are either computationally demanding or statistically inefficient. In this paper, building upon the Markov approximation of fBM, we derive the evidence lower bound essential for efficient variational inference of posterior path measures, drawing from the well-established field of stochastic analysis. Additionally, we provide a closed-form expression to determine optimal approximation coefficients. Furthermore, we propose the use of neural networks to learn the drift, diffusion and control terms within our variational posterior, leading to the variational training of neural-SDEs. In this framework, we also optimize the Hurst index, governing the nature of our fractional noise. Beyond validation on synthetic data, we contribute a novel architecture for variational latent video prediction,-an approach that, to the best of our knowledge, enables the first variational neural-SDE application to video perception.

Learning useful representations without supervision remains a key challenge in machine learning. In this paper, we propose a simple yet powerful generative model that learns such discrete representations. Our model, the Vector Quantised-Variational AutoEncoder (VQ-VAE), differs from VAEs in two key ways: the encoder network outputs discrete, rather than continuous, codes; and the prior is learnt rather than static. In order to learn a discrete latent representation, we incorporate ideas from vector quantisation (VQ). Using the VQ method allows the model to circumvent issues of "posterior collapse" -- where the latents are ignored when they are paired with a powerful autoregressive decoder -- typically observed in the VAE framework. Pairing these representations with an autoregressive prior, the model can generate high quality images, videos, and speech as well as doing high quality speaker conversion and unsupervised learning of phonemes, providing further evidence of the utility of the learnt representations.

Unifying visual understanding and generation within a single multimodal framework remains a significant challenge, as the two inherently heterogeneous tasks require representations at different levels of granularity. Current approaches that utilize vector quantization (VQ) or variational autoencoders (VAE) for unified visual representation prioritize intrinsic imagery features over semantics, compromising understanding performance. In this work, we take inspiration from masked image modelling (MIM) that learns rich semantics via a mask-and-reconstruct pre-training and its successful extension to masked autoregressive (MAR) image generation. A preliminary study on the MAR encoder's representation reveals exceptional linear probing accuracy and precise feature response to visual concepts, which indicates MAR's potential for visual understanding tasks beyond its original generation role. Based on these insights, we present Harmon, a unified autoregressive framework that harmonizes understanding and generation tasks with a shared MAR encoder. Through a three-stage training procedure that progressively optimizes understanding and generation capabilities, Harmon achieves state-of-the-art image generation results on the GenEval, MJHQ30K and WISE benchmarks while matching the performance of methods with dedicated semantic encoders (e.g., Janus) on image understanding benchmarks. Our code and models will be available at https://github.com/wusize/Harmon.

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is computationally and statistically challenging due to the large number of latent variables in the model and the strong temporal dependencies between them. In this paper, we propose a new method for inference in Bayesian GPSSMs, which overcomes the drawbacks of previous approaches, namely over-simplified assumptions, and high computational requirements. Our method is based on free-form variational inference via stochastic gradient Hamiltonian Monte Carlo within the inducing-variable formalism. Furthermore, by exploiting our proposed variational distribution, we provide a collapsed extension of our method where the inducing variables are marginalized analytically. We also showcase results when combining our framework with particle MCMC methods. We show that, on six real-world datasets, our approach can learn transition dynamics and latent states more accurately than competing methods.

Recent methods for knowledge grounded dialogs generate responses by incorporating information from an external textual document. These methods do not require the exact document to be known during training and rely on the use of a retrieval system to fetch relevant documents from a large index. The documents used to generate the responses are modeled as latent variables whose prior probabilities need to be estimated. Models such as RAG and REALM, marginalize the document probabilities over the documents retrieved from the index to define the log likelihood loss function which is optimized end-to-end. In this paper, we develop a variational approach to the above technique wherein, we instead maximize the Evidence Lower bound (ELBO). Using a collection of three publicly available open-conversation datasets, we demonstrate how the posterior distribution, that has information from the ground-truth response, allows for a better approximation of the objective function during training. To overcome the challenges associated with sampling over a large knowledge collection, we develop an efficient approach to approximate the ELBO. To the best of our knowledge we are the first to apply variational training for open-scale unsupervised knowledge grounded dialog systems.

We present a conditional variational auto-encoder (VAE) which, to avoid the substantial cost of training from scratch, uses an architecture and training objective capable of leveraging a foundation model in the form of a pretrained unconditional VAE. To train the conditional VAE, we only need to train an artifact to perform amortized inference over the unconditional VAE's latent variables given a conditioning input. We demonstrate our approach on tasks including image inpainting, for which it outperforms state-of-the-art GAN-based approaches at faithfully representing the inherent uncertainty. We conclude by describing a possible application of our inpainting model, in which it is used to perform Bayesian experimental design for the purpose of guiding a sensor.

Variational Autoencoders (VAEs) have been a pioneering force in the realm of deep generative models. Amongst its legions of progenies, Wasserstein Autoencoders (WAEs) stand out in particular due to the dual offering of heightened generative quality and a strong theoretical backbone. WAEs consist of an encoding and a decoding network forming a bottleneck with the prime objective of generating new samples resembling the ones it was catered to. In the process, they aim to achieve a target latent representation of the encoded data. Our work is an attempt to offer a theoretical understanding of the machinery behind WAEs. From a statistical viewpoint, we pose the problem as concurrent density estimation tasks based on neural network-induced transformations. This allows us to establish deterministic upper bounds on the realized errors WAEs commit. We also analyze the propagation of these stochastic errors in the presence of adversaries. As a result, both the large sample properties of the reconstructed distribution and the resilience of WAE models are explored.

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN/CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution p(z) and decoding distribution p(x|z), we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.

Generative models based on variational autoencoders are a popular technique for detecting anomalies in images in a semi-supervised context. A common approach employs the anomaly score to detect the presence of anomalies, and it is known to reach high level of accuracy on benchmark datasets. However, since anomaly scores are computed from reconstruction disparities, they often obscure the detection of various spurious features, raising concerns regarding their actual efficacy. This case study explores the robustness of an anomaly detection system based on variational autoencoder generative models through the use of eXplainable AI methods. The goal is to get a different perspective on the real performances of anomaly detectors that use reconstruction differences. In our case study we discovered that, in many cases, samples are detected as anomalous for the wrong or misleading factors.

Training deep generative models like Variational Autoencoders (VAEs) is often hindered by the need to backpropagate gradients through the stochastic sampling of their latent variables, a process that inherently introduces estimation variance, which can slow convergence and degrade performance. In this paper, we propose a new perspective that sidesteps this problem, which we call Silent Gradients. Instead of improving stochastic estimators, we leverage specific decoder architectures to analytically compute the expected ELBO, yielding a gradient with zero variance. We first provide a theoretical foundation for this method and demonstrate its superiority over existing estimators in a controlled setting with a linear decoder. To generalize our approach for practical use with complex, expressive decoders, we introduce a novel training dynamic that uses the exact, zero-variance gradient to guide the early stages of encoder training before annealing to a standard stochastic estimator. Our experiments show that this technique consistently improves the performance of established baselines, including reparameterization, Gumbel-Softmax, and REINFORCE, across multiple datasets. This work opens a new direction for training generative models by combining the stability of analytical computation with the expressiveness of deep, nonlinear architecture.

The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE with tree recursive architecture demonstrates limited capability of capturing field correlations within structured data, even after overcoming the challenge of posterior collapse with scheduled sampling and tuning of the KL-divergence weight beta. Worse, VAE seems to have difficulty mapping its generated samples to the latent space, as their VAE loss lags behind or even increases during the training process. Motivated by this observation, we show that augmenting training data with generated variants (augmented training) and training a VAE with multiple values of beta simultaneously (multiscale VAE) both improve the generation quality of VAE. Despite their differences in motivation and emphasis, we show that augmented training and multiscale VAE are actually connected and have similar effects on the model.

Multi-modal data-sets are ubiquitous in modern applications, and multi-modal Variational Autoencoders are a popular family of models that aim to learn a joint representation of the different modalities. However, existing approaches suffer from a coherence-quality tradeoff, where models with good generation quality lack generative coherence across modalities, and vice versa. We discuss the limitations underlying the unsatisfactory performance of existing methods, to motivate the need for a different approach. We propose a novel method that uses a set of independently trained, uni-modal, deterministic autoencoders. Individual latent variables are concatenated into a common latent space, which is fed to a masked diffusion model to enable generative modeling. We also introduce a new multi-time training method to learn the conditional score network for multi-modal diffusion. Our methodology substantially outperforms competitors in both generation quality and coherence, as shown through an extensive experimental campaign.

Structured variational autoencoders (SVAEs) combine probabilistic graphical model priors on latent variables, deep neural networks to link latent variables to observed data, and structure-exploiting algorithms for approximate posterior inference. These models are particularly appealing for sequential data, where the prior can capture temporal dependencies. However, despite their conceptual elegance, SVAEs have proven difficult to implement, and more general approaches have been favored in practice. Here, we revisit SVAEs using modern machine learning tools and demonstrate their advantages over more general alternatives in terms of both accuracy and efficiency. First, we develop a modern implementation for hardware acceleration, parallelization, and automatic differentiation of the message passing algorithms at the core of the SVAE. Second, we show that by exploiting structure in the prior, the SVAE learns more accurate models and posterior distributions, which translate into improved performance on prediction tasks. Third, we show how the SVAE can naturally handle missing data, and we leverage this ability to develop a novel, self-supervised training approach. Altogether, these results show that the time is ripe to revisit structured variational autoencoders.

Image synthesis under multi-modal priors is a useful and challenging task that has received increasing attention in recent years. A major challenge in using generative models to accomplish this task is the lack of paired data containing all modalities (i.e. priors) and corresponding outputs. In recent work, a variational auto-encoder (VAE) model was trained in a weakly supervised manner to address this challenge. Since the generative power of VAEs is usually limited, it is difficult for this method to synthesize images belonging to complex distributions. To this end, we propose a solution based on a denoising diffusion probabilistic models to synthesise images under multi-model priors. Based on the fact that the distribution over each time step in the diffusion model is Gaussian, in this work we show that there exists a closed-form expression to the generate the image corresponds to the given modalities. The proposed solution does not require explicit retraining for all modalities and can leverage the outputs of individual modalities to generate realistic images according to different constraints. We conduct studies on two real-world datasets to demonstrate the effectiveness of our approach

Retrieval-augmented models have proven to be effective in natural language processing tasks, yet there remains a lack of research on their optimization using variational inference. We introduce the Variational Open-Domain (VOD) framework for end-to-end training and evaluation of retrieval-augmented models, focusing on open-domain question answering and language modelling. The VOD objective, a self-normalized estimate of the R\'enyi variational bound, approximates the task marginal likelihood and is evaluated under samples drawn from an auxiliary sampling distribution (cached retriever and/or approximate posterior). It remains tractable, even for retriever distributions defined on large corpora. We demonstrate VOD's versatility by training reader-retriever BERT-sized models on multiple-choice medical exam questions. On the MedMCQA dataset, we outperform the domain-tuned Med-PaLM by +5.3% despite using 2.500times fewer parameters. Our retrieval-augmented BioLinkBERT model scored 62.9% on the MedMCQA and 55.0% on the MedQA-USMLE. Last, we show the effectiveness of our learned retriever component in the context of medical semantic search.

Alignment with high-resource standard languages is often assumed to aid the modeling of related low-resource varieties. We challenge this assumption by demonstrating that excessive representational entanglement with a dominant variety, such as Modern Standard Arabic (MSA) in relation to Arabic dialects, can actively hinder generative modeling. We present the first comprehensive causal study of this phenomenon by analyzing and directly intervening in the internal representation geometry of large language models (LLMs). Our key contribution is an online variational probing framework that continuously estimates the subspace of the standard variety during fine-tuning, enabling projection-based decoupling from this space. While our study uses Arabic as a case due to its unusually rich parallel resources across 25 dialects, the broader motivation is methodological: dialectal MT serves as a controlled proxy for generative tasks where comparable multi-variety corpora are unavailable. Across 25 dialects, our intervention improves generation quality by up to +4.9 chrF++ and +2.0 on average compared to standard fine-tuning, despite a measured tradeoff in standard-language performance. These results provide causal evidence that subspace dominance by high-resource varieties can restrict generative capacity for related varieties. More generally, we unify geometric and information-theoretic probing with subspace-level causal interventions, offering practical tools for improving generative modeling in closely related language families and, more broadly, for controlling representational allocation in multilingual and multi-domain LLMs. Code will be released.

We present latentSplat, a method to predict semantic Gaussians in a 3D latent space that can be splatted and decoded by a light-weight generative 2D architecture. Existing methods for generalizable 3D reconstruction either do not scale to large scenes and resolutions, or are limited to interpolation of close input views. latentSplat combines the strengths of regression-based and generative approaches while being trained purely on readily available real video data. The core of our method are variational 3D Gaussians, a representation that efficiently encodes varying uncertainty within a latent space consisting of 3D feature Gaussians. From these Gaussians, specific instances can be sampled and rendered via efficient splatting and a fast, generative decoder. We show that latentSplat outperforms previous works in reconstruction quality and generalization, while being fast and scalable to high-resolution data.

The Koopman operator provides a powerful framework for modeling dynamical systems and has attracted growing interest from the machine learning community. However, its infinite-dimensional nature makes identifying suitable finite-dimensional subspaces challenging, especially for deep architectures. We argue that these difficulties come from suboptimal representation learning, where latent variables fail to balance expressivity and simplicity. This tension is closely related to the information bottleneck (IB) dilemma: constructing compressed representations that are both compact and predictive. Rethinking Koopman learning through this lens, we demonstrate that latent mutual information promotes simplicity, yet an overemphasis on simplicity may cause latent space to collapse onto a few dominant modes. In contrast, expressiveness is sustained by the von Neumann entropy, which prevents such collapse and encourages mode diversity. This insight leads us to propose an information-theoretic Lagrangian formulation that explicitly balances this tradeoff. Furthermore, we propose a new algorithm based on the Lagrangian formulation that encourages both simplicity and expressiveness, leading to a stable and interpretable Koopman representation. Beyond quantitative evaluations, we further visualize the learned manifolds under our representations, observing empirical results consistent with our theoretical predictions. Finally, we validate our approach across a diverse range of dynamical systems, demonstrating improved performance over existing Koopman learning methods. The implementation is publicly available at https://github.com/Wenxuan52/InformationKoopman.

Variational Auto-Encoder (VAE) has become the de-facto learning paradigm in achieving representation learning and generation for natural language at the same time. Nevertheless, existing VAE-based language models either employ elementary RNNs, which is not powerful to handle complex works in the multi-task situation, or fine-tunes two pre-trained language models (PLMs) for any downstream task, which is a huge drain on resources. In this paper, we propose the first VAE framework empowered with adaptive GPT-2s (AdaVAE). Different from existing systems, we unify both the encoder\&decoder of the VAE model using GPT-2s with adaptive parameter-efficient components, and further introduce Latent Attention operation to better construct latent space from transformer models. Experiments from multiple dimensions validate that AdaVAE is competent to effectively organize language in three related tasks (language modeling, representation modeling and guided text generation) even with less than 15% activated parameters in training. Our code is available at https://github.com/ImKeTT/AdaVAE.

Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents. A key tradeoff in modeling the posteriors over latents is between expressivity and tractable optimization. For algorithms based on expectation-maximization (EM), the E-step is often intractable without restrictive approximations to the posterior. We propose the use of GFlowNets, algorithms for sampling from an unnormalized density by learning a stochastic policy for sequential construction of samples, for this intractable E-step. By training GFlowNets to sample from the posterior over latents, we take advantage of their strengths as amortized variational inference algorithms for complex distributions over discrete structures. Our approach, GFlowNet-EM, enables the training of expressive LVMs with discrete compositional latents, as shown by experiments on non-context-free grammar induction and on images using discrete variational autoencoders (VAEs) without conditional independence enforced in the encoder.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

We propose a novel family of language models, Latent-Thought Language Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors, and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional LLMs, yielding a structured design space. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to conventional autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model and latent size, and achieve competitive performance in conditional and unconditional text generation.

In order to develop machine learning and deep learning models that take into account the guidelines and principles of trustworthy AI, a novel information theoretic trustworthy AI framework is introduced. A unified approach to "privacy-preserving interpretable and transferable learning" is considered for studying and optimizing the tradeoffs between privacy, interpretability, and transferability aspects. A variational membership-mapping Bayesian model is used for the analytical approximations of the defined information theoretic measures for privacy-leakage, interpretability, and transferability. The approach consists of approximating the information theoretic measures via maximizing a lower-bound using variational optimization. The study presents a unified information theoretic approach to study different aspects of trustworthy AI in a rigorous analytical manner. The approach is demonstrated through numerous experiments on benchmark datasets and a real-world biomedical application concerned with the detection of mental stress on individuals using heart rate variability analysis.

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. We show that VFM admits both the CatFlow objective and the original flow matching objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

Vector Quantized Variational AutoEncoders (VQ-VAEs) are designed to compress a continuous input to a discrete latent space and reconstruct it with minimal distortion. They operate by maintaining a set of vectors -- often referred to as the codebook -- and quantizing each encoder output to the nearest vector in the codebook. However, as vector quantization is non-differentiable, the gradient to the encoder flows around the vector quantization layer rather than through it in a straight-through approximation. This approximation may be undesirable as all information from the vector quantization operation is lost. In this work, we propose a way to propagate gradients through the vector quantization layer of VQ-VAEs. We smoothly transform each encoder output into its corresponding codebook vector via a rotation and rescaling linear transformation that is treated as a constant during backpropagation. As a result, the relative magnitude and angle between encoder output and codebook vector becomes encoded into the gradient as it propagates through the vector quantization layer and back to the encoder. Across 11 different VQ-VAE training paradigms, we find this restructuring improves reconstruction metrics, codebook utilization, and quantization error. Our code is available at https://github.com/cfifty/rotation_trick.

Best-of-N (BoN) is a popular and effective algorithm for aligning language models to human preferences. The algorithm works as follows: at inference time, N samples are drawn from the language model, and the sample with the highest reward, as judged by a reward model, is returned as the output. Despite its effectiveness, BoN is computationally expensive; it reduces sampling throughput by a factor of N. To make BoN more efficient at inference time, one strategy is to fine-tune the language model to mimic what BoN does during inference. To achieve this, we derive the distribution induced by the BoN algorithm. We then propose to fine-tune the language model to minimize backward KL divergence to the BoN distribution. Our approach is analogous to mean-field variational inference and, thus, we term it variational BoN (vBoN). To the extent this fine-tuning is successful and we end up with a good approximation, we have reduced the inference cost by a factor of N. Our experiments on a controlled generation task suggest that while variational BoN is not as effective as BoN in aligning language models, it is close to BoN performance as vBoN appears more often on the Pareto frontier of reward and KL divergence compared to models trained with KL-constrained RL objective.

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models, called self-supervised Variational Auto-Encoder (selfVAE), that utilizes deterministic and discrete variational posteriors. This class of models allows to perform both conditional and unconditional sampling, while simplifying the objective function. First, we use a single self-supervised transformation as a latent variable, where a transformation is either downscaling or edge detection. Next, we consider a hierarchical architecture, i.e., multiple transformations, and we show its benefits compared to the VAE. The flexibility of selfVAE in data reconstruction finds a particularly interesting use case in data compression tasks, where we can trade-off memory for better data quality, and vice-versa. We present performance of our approach on three benchmark image data (Cifar10, Imagenette64, and CelebA).

Generative models trained on extensive high-quality datasets effectively capture the structural and statistical properties of clean images, rendering them powerful priors for transforming degraded features into clean ones in image restoration. VAR, a novel image generative paradigm, surpasses diffusion models in generation quality by applying a next-scale prediction approach. It progressively captures both global structures and fine-grained details through the autoregressive process, consistent with the multi-scale restoration principle widely acknowledged in the restoration community. Furthermore, we observe that during the image reconstruction process utilizing VAR, scale predictions automatically modulate the input, facilitating the alignment of representations at subsequent scales with the distribution of clean images. To harness VAR's adaptive distribution alignment capability in image restoration tasks, we formulate the multi-scale latent representations within VAR as the restoration prior, thus advancing our delicately designed VarFormer framework. The strategic application of these priors enables our VarFormer to achieve remarkable generalization on unseen tasks while also reducing training computational costs. Extensive experiments underscores that our VarFormer outperforms existing multi-task image restoration methods across various restoration tasks.

Autoencoders and their variants are among the most widely used models in representation learning and generative modeling. However, autoencoder-based models usually assume that the learned representations are i.i.d. and fail to capture the correlations between the data samples. To address this issue, we propose a novel Sparse Gaussian Process Bayesian Autoencoder (SGPBAE) model in which we impose fully Bayesian sparse Gaussian Process priors on the latent space of a Bayesian Autoencoder. We perform posterior estimation for this model via stochastic gradient Hamiltonian Monte Carlo. We evaluate our approach qualitatively and quantitatively on a wide range of representation learning and generative modeling tasks and show that our approach consistently outperforms multiple alternatives relying on Variational Autoencoders.

Recent research has shown the advantages of using autoencoders based on deep neural networks for collaborative filtering. In particular, the recently proposed Mult-VAE model, which used the multinomial likelihood variational autoencoders, has shown excellent results for top-N recommendations. In this work, we propose the Recommender VAE (RecVAE) model that originates from our research on regularization techniques for variational autoencoders. RecVAE introduces several novel ideas to improve Mult-VAE, including a novel composite prior distribution for the latent codes, a new approach to setting the β hyperparameter for the β-VAE framework, and a new approach to training based on alternating updates. In experimental evaluation, we show that RecVAE significantly outperforms previously proposed autoencoder-based models, including Mult-VAE and RaCT, across classical collaborative filtering datasets, and present a detailed ablation study to assess our new developments. Code and models are available at https://github.com/ilya-shenbin/RecVAE.

Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.

A model involving Gaussian processes (GPs) is introduced to simultaneously handle multi-task learning, clustering, and prediction for multiple functional data. This procedure acts as a model-based clustering method for functional data as well as a learning step for subsequent predictions for new tasks. The model is instantiated as a mixture of multi-task GPs with common mean processes. A variational EM algorithm is derived for dealing with the optimisation of the hyper-parameters along with the hyper-posteriors' estimation of latent variables and processes. We establish explicit formulas for integrating the mean processes and the latent clustering variables within a predictive distribution, accounting for uncertainty on both aspects. This distribution is defined as a mixture of cluster-specific GP predictions, which enhances the performances when dealing with group-structured data. The model handles irregular grid of observations and offers different hypotheses on the covariance structure for sharing additional information across tasks. The performances on both clustering and prediction tasks are assessed through various simulated scenarios and real datasets. The overall algorithm, called MagmaClust, is publicly available as an R package.

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will likely not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational Quantum Algorithms (VQAs), which use a classical optimizer to train a parametrized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisioned for quantum computers, and they appear to the best hope for obtaining quantum advantage. Nevertheless, challenges remain including the trainability, accuracy, and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges, and highlight the exciting prospects for using them to obtain quantum advantage.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

We present a controllable neural audio synthesizer based on Gaussian Mixture Variational Autoencoders (GM-VAE), which can generate realistic piano performances in the audio domain that closely follows temporal conditions of two essential style features for piano performances: articulation and dynamics. We demonstrate how the model is able to apply fine-grained style morphing over the course of synthesizing the audio. This is based on conditions which are latent variables that can be sampled from the prior or inferred from other pieces. One of the envisioned use cases is to inspire creative and brand new interpretations for existing pieces of piano music.

Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are often unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to these issues, they are (surprisingly) less often considered for time series generation. In this work, we introduce Koopman VAE (KVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leverageing spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stablity of the system can be performed using tools from dynamical systems theory. Our results show that KVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KVAE learns probability density functions that better approximate empirical ground truth distributions.

We develop data-driven methods incorporating geometric and topological information to learn parsimonious representations of nonlinear dynamics from observations. The approaches learn nonlinear state-space models of the dynamics for general manifold latent spaces using training strategies related to Variational Autoencoders (VAEs). Our methods are referred to as Geometric Dynamic (GD) Variational Autoencoders (GD-VAEs). We learn encoders and decoders for the system states and evolution based on deep neural network architectures that include general Multilayer Perceptrons (MLPs), Convolutional Neural Networks (CNNs), and other architectures. Motivated by problems arising in parameterized PDEs and physics, we investigate the performance of our methods on tasks for learning reduced dimensional representations of the nonlinear Burgers Equations, Constrained Mechanical Systems, and spatial fields of Reaction-Diffusion Systems. GD-VAEs provide methods that can be used to obtain representations in manifold latent spaces for diverse learning tasks involving dynamics.

We introduce a modality-agnostic neural compression algorithm based on a functional view of data and parameterised as an Implicit Neural Representation (INR). Bridging the gap between latent coding and sparsity, we obtain compact latent representations non-linearly mapped to a soft gating mechanism. This allows the specialisation of a shared INR network to each data item through subnetwork selection. After obtaining a dataset of such latent representations, we directly optimise the rate/distortion trade-off in a modality-agnostic space using neural compression. Variational Compression of Implicit Neural Representations (VC-INR) shows improved performance given the same representational capacity pre quantisation while also outperforming previous quantisation schemes used for other INR techniques. Our experiments demonstrate strong results over a large set of diverse modalities using the same algorithm without any modality-specific inductive biases. We show results on images, climate data, 3D shapes and scenes as well as audio and video, introducing VC-INR as the first INR-based method to outperform codecs as well-known and diverse as JPEG 2000, MP3 and AVC/HEVC on their respective modalities.

This paper presents a novel generative framework for learning shared latent representations across multimodal data. Many advanced multimodal methods focus on capturing all combinations of modality-specific details across inputs, which can inadvertently obscure the high-level semantic concepts that are shared across modalities. Notably, Multimodal VAEs with low-dimensional latent variables are designed to capture shared representations, enabling various tasks such as joint multimodal synthesis and cross-modal inference. However, multimodal VAEs often struggle to design expressive joint variational posteriors and suffer from low-quality synthesis. In this work, ShaLa addresses these challenges by integrating a novel architectural inference model and a second-stage expressive diffusion prior, which not only facilitates effective inference of shared latent representation but also significantly improves the quality of downstream multimodal synthesis. We validate ShaLa extensively across multiple benchmarks, demonstrating superior coherence and synthesis quality compared to state-of-the-art multimodal VAEs. Furthermore, ShaLa scales to many more modalities while prior multimodal VAEs have fallen short in capturing the increasing complexity of the shared latent space.

A standard Variational Autoencoder, with a Euclidean latent space, is structurally incapable of capturing topological properties of certain datasets. To remove topological obstructions, we introduce Diffusion Variational Autoencoders with arbitrary manifolds as a latent space. A Diffusion Variational Autoencoder uses transition kernels of Brownian motion on the manifold. In particular, it uses properties of the Brownian motion to implement the reparametrization trick and fast approximations to the KL divergence. We show that the Diffusion Variational Autoencoder is capable of capturing topological properties of synthetic datasets. Additionally, we train MNIST on spheres, tori, projective spaces, SO(3), and a torus embedded in R3. Although a natural dataset like MNIST does not have latent variables with a clear-cut topological structure, training it on a manifold can still highlight topological and geometrical properties.

Lung cancer is responsible for 21% of cancer deaths in the UK and five-year survival rates are heavily influenced by the stage the cancer was identified at. Recent studies have demonstrated the capability of AI methods for accurate and early diagnosis of lung cancer from routine scans. However, this evidence has not translated into clinical practice with one barrier being a lack of interpretable models. This study investigates the application Variational Autoencoders (VAEs), a type of generative AI model, to lung cancer lesions. Proposed models were trained on lesions extracted from 3D CT scans in the LIDC-IDRI public dataset. Latent vector representations of 2D slices produced by the VAEs were explored through clustering to justify their quality and used in an MLP classifier model for lung cancer diagnosis, the best model achieved state-of-the-art metrics of AUC 0.98 and 93.1% accuracy. Cluster analysis shows the VAE latent space separates the dataset of malignant and benign lesions based on meaningful feature components including tumour size, shape, patient and malignancy class. We also include a comparative analysis of the standard Gaussian VAE (GVAE) and the more recent Dirichlet VAE (DirVAE), which replaces the prior with a Dirichlet distribution to encourage a more explainable latent space with disentangled feature representation. Finally, we demonstrate the potential for latent space traversals corresponding to clinically meaningful feature changes.

Anomalies in the domain of autonomous driving are a major hindrance to the large-scale deployment of autonomous vehicles. In this work, we focus on high-resolution camera data from urban scenes that include anomalies of various types and sizes. Based on a Variational Autoencoder, we condition its latent space to classify samples as either normal data or anomalies. In order to emphasize especially small anomalies, we perform experiments where we provide the VAE with a discrepancy map as an additional input, evaluating its impact on the detection performance. Our method separates normal data and anomalies into isolated clusters while still reconstructing high-quality images, leading to meaningful latent representations.

We present a novel stochastic variational Gaussian process (GP) inference method, based on a posterior over a learnable set of weighted pseudo input-output points (coresets). Instead of a free-form variational family, the proposed coreset-based, variational tempered family for GPs (CVTGP) is defined in terms of the GP prior and the data-likelihood; hence, accommodating the modeling inductive biases. We derive CVTGP's lower bound for the log-marginal likelihood via marginalization of the proposed posterior over latent GP coreset variables, and show it is amenable to stochastic optimization. CVTGP reduces the learnable parameter size to O(M), enjoys numerical stability, and maintains O(M^3) time- and O(M^2) space-complexity, by leveraging a coreset-based tempered posterior that, in turn, provides sparse and explainable representations of the data. Results on simulated and real-world regression problems with Gaussian observation noise validate that CVTGP provides better evidence lower-bound estimates and predictive root mean squared error than alternative stochastic GP inference methods.

The Evidence Lower Bound (ELBO) is a quantity that plays a key role in variational inference. It can also be used as a criterion in model selection. However, though extremely popular in practice in the variational Bayes community, there has never been a general theoretic justification for selecting based on the ELBO. In this paper, we show that the ELBO maximization strategy has strong theoretical guarantees, and is robust to model misspecification while most works rely on the assumption that one model is correctly specified. We illustrate our theoretical results by an application to the selection of the number of principal components in probabilistic PCA.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

Vector graphics are widely used in digital art and highly favored by designers due to their scalability and layer-wise properties. However, the process of creating and editing vector graphics requires creativity and design expertise, making it a time-consuming task. Recent advancements in text-to-vector (T2V) generation have aimed to make this process more accessible. However, existing T2V methods directly optimize control points of vector graphics paths, often resulting in intersecting or jagged paths due to the lack of geometry constraints. To overcome these limitations, we propose a novel neural path representation by designing a dual-branch Variational Autoencoder (VAE) that learns the path latent space from both sequence and image modalities. By optimizing the combination of neural paths, we can incorporate geometric constraints while preserving expressivity in generated SVGs. Furthermore, we introduce a two-stage path optimization method to improve the visual and topological quality of generated SVGs. In the first stage, a pre-trained text-to-image diffusion model guides the initial generation of complex vector graphics through the Variational Score Distillation (VSD) process. In the second stage, we refine the graphics using a layer-wise image vectorization strategy to achieve clearer elements and structure. We demonstrate the effectiveness of our method through extensive experiments and showcase various applications. The project page is https://intchous.github.io/T2V-NPR.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

We consider the task of data-to-text generation, which aims to create textual output from non-linguistic input. We focus on generating long-form text, i.e., documents with multiple paragraphs, and propose a neural model enhanced with a planning component responsible for organizing high-level information in a coherent and meaningful way. We infer latent plans sequentially with a structured variational model, while interleaving the steps of planning and generation. Text is generated by conditioning on previous variational decisions and previously generated text. Experiments on two data-to-text benchmarks (RotoWire and MLB) show that our model outperforms strong baselines and is sample efficient in the face of limited training data (e.g., a few hundred instances).