A central goal in the cognitive sciences is the development of numerical models for mental representations of object concepts. This paper introduces Variational Interpretable Concept Embeddings (VICE), an approximate Bayesian method for embedding object concepts in a vector space using data collected from humans in a triplet odd-one-out task. VICE uses variational inference to obtain sparse, non-negative representations of object concepts with uncertainty estimates for the embedding values. These estimates are used to automatically select the dimensions that best explain the data. We derive a PAC learning bound for VICE that can be used to estimate generalization performance or determine a sufficient sample size for experimental design. VICE rivals or outperforms its predecessor, SPoSE, at predicting human behavior in the triplet odd-one-out task. Furthermore, VICE's object representations are more reproducible and consistent across random initializations, highlighting the unique advantage of using VICE for deriving interpretable embeddings from human behavior.
We investigate the potential of adaptive blind equalizers based on variational inference for carrier recovery in optical communications. These equalizers are based on a low-complexity approximation of maximum likelihood channel estimation. We generalize the concept of variational autoencoder (VAE) equalizers to higher order modulation formats encompassing probabilistic constellation shaping (PCS), ubiquitous in optical communications, oversampling at the receiver, and dual-polarization transmission. Besides black-box equalizers based on convolutional neural networks, we propose a model-based equalizer based on a linear butterfly filter and train the filter coefficients using the variational inference paradigm. As a byproduct, the VAE also provides a reliable channel estimation. We analyze the VAE in terms of performance and flexibility over a classical additive white Gaussian noise (AWGN) channel with inter-symbol interference (ISI) and over a dispersive linear optical dual-polarization channel. We show that it can extend the application range of blind adaptive equalizers by outperforming the state-of-the-art constant-modulus algorithm (CMA) for PCS for both fixed but also time-varying channels. The evaluation is accompanied with a hyperparameter analysis.
Collecting paired training data is difficult in practice, but the unpaired samples broadly exist. Current approaches aim at generating synthesized training data from unpaired samples by exploring the relationship between the corrupted and clean data. This work proposes LUD-VAE, a deep generative method to learn the joint probability density function from data sampled from marginal distributions. Our approach is based on a carefully designed probabilistic graphical model in which the clean and corrupted data domains are conditionally independent. Using variational inference, we maximize the evidence lower bound (ELBO) to estimate the joint probability density function. Furthermore, we show that the ELBO is computable without paired samples under the inference invariant assumption. This property provides the mathematical rationale of our approach in the unpaired setting. Finally, we apply our method to real-world image denoising, super-resolution, and low-light image enhancement tasks and train the models using the synthetic data generated by the LUD-VAE. Experimental results validate the advantages of our method over other approaches.
We propose a novel generative saliency prediction framework that adopts an informative energy-based model as a prior distribution. The energy-based prior model is defined on the latent space of a saliency generator network that generates the saliency map based on a continuous latent variables and an observed image. Both the parameters of saliency generator and the energy-based prior are jointly trained via Markov chain Monte Carlo-based maximum likelihood estimation, in which the sampling from the intractable posterior and prior distributions of the latent variables are performed by Langevin dynamics. With the generative saliency model, we can obtain a pixel-wise uncertainty map from an image, indicating model confidence in the saliency prediction. Different from existing generative models, which define the prior distribution of the latent variables as a simple isotropic Gaussian distribution, our model uses an energy-based informative prior which can be more expressive in capturing the latent space of the data. With the informative energy-based prior, we extend the Gaussian distribution assumption of generative models to achieve a more representative distribution of the latent space, leading to more reliable uncertainty estimation. We apply the proposed frameworks to both RGB and RGB-D salient object detection tasks with both transformer and convolutional neural network backbones. We further propose an adversarial learning algorithm and a variational inference algorithm as alternatives to train the proposed generative framework. Experimental results show that our generative saliency model with an energy-based prior can achieve not only accurate saliency predictions but also reliable uncertainty maps that are consistent with human perception. Results and code are available at \url{https://github.com/JingZhang617/EBMGSOD}.
Bayesian phylogenetic inference is currently done via Markov chain Monte Carlo (MCMC) with simple proposal mechanisms. This hinders exploration efficiency and often requires long runs to deliver accurate posterior estimates. In this paper, we present an alternative approach: a variational framework for Bayesian phylogenetic analysis. We propose combining subsplit Bayesian networks, an expressive graphical model for tree topology distributions, and a structured amortization of the branch lengths over tree topologies for a suitable variational family of distributions. We train the variational approximation via stochastic gradient ascent and adopt gradient estimators for continuous and discrete variational parameters separately to deal with the composite latent space of phylogenetic models. We show that our variational approach provides competitive performance to MCMC, while requiring much fewer (though more costly) iterations due to a more efficient exploration mechanism enabled by variational inference. Experiments on a benchmark of challenging real data Bayesian phylogenetic inference problems demonstrate the effectiveness and efficiency of our methods.
Most deep learning models for computational imaging regress a single reconstructed image. In practice, however, ill-posedness, nonlinearity, model mismatch, and noise often conspire to make such point estimates misleading or insufficient. The Bayesian approach models images and (noisy) measurements as jointly distributed random vectors and aims to approximate the posterior distribution of unknowns. Recent variational inference methods based on conditional normalizing flows are a promising alternative to traditional MCMC methods, but they come with drawbacks: excessive memory and compute demands for moderate to high resolution images and underwhelming performance on hard nonlinear problems. In this work, we propose C-Trumpets -- conditional injective flows specifically designed for imaging problems, which greatly diminish these challenges. Injectivity reduces memory footprint and training time while low-dimensional latent space together with architectural innovations like fixed-volume-change layers and skip-connection revnet layers, C-Trumpets outperform regular conditional flow models on a variety of imaging and image restoration tasks, including limited-view CT and nonlinear inverse scattering, with a lower compute and memory budget. C-Trumpets enable fast approximation of point estimates like MMSE or MAP as well as physically-meaningful uncertainty quantification.
Missing values are common in many real-life datasets. However, most of the current machine learning methods can not handle missing values. This means that they should be imputed beforehand. Gaussian Processes (GPs) are non-parametric models with accurate uncertainty estimates that combined with sparse approximations and stochastic variational inference scale to large data sets. Sparse GPs can be used to compute a predictive distribution for missing data. Here, we present a hierarchical composition of sparse GPs that is used to predict missing values at each dimension using all the variables from the other dimensions. We call the approach missing GP (MGP). MGP can be trained simultaneously to impute all observed missing values. Specifically, it outputs a predictive distribution for each missing value that is then used in the imputation of other missing values. We evaluate MGP in one private clinical data set and four UCI datasets with a different percentage of missing values. We compare the performance of MGP with other state-of-the-art methods for imputing missing values, including variants based on sparse GPs and deep GPs. The results obtained show a significantly better performance of MGP.
Generating high quality texts with high diversity is important for many NLG applications, but current methods mostly focus on building deterministic models to generate higher quality texts and do not provide many options for promoting diversity. In this work, we present a novel latent structured variable model to generate high quality texts by enriching contextual representation learning of encoder-decoder models. Specifically, we introduce a stochastic function to map deterministic encoder hidden states into random context variables. The proposed stochastic function is sampled from a Gaussian process prior to (1) provide infinite number of joint Gaussian distributions of random context variables (diversity-promoting) and (2) explicitly model dependency between context variables (accurate-encoding). To address the learning challenge of Gaussian processes, we propose an efficient variational inference approach to approximate the posterior distribution of random context variables. We evaluate our method in two typical text generation tasks: paraphrase generation and text style transfer. Experimental results on benchmark datasets demonstrate that our method improves the generation quality and diversity compared with other baselines.
In this paper we propose Discretely Indexed flows (DIF) as a new tool for solving variational estimation problems. Roughly speaking, DIF are built as an extension of Normalizing Flows (NF), in which the deterministic transport becomes stochastic, and more precisely discretely indexed. Due to the discrete nature of the underlying additional latent variable, DIF inherit the good computational behavior of NF: they benefit from both a tractable density as well as a straightforward sampling scheme, and can thus be used for the dual problems of Variational Inference (VI) and of Variational density estimation (VDE). On the other hand, DIF can also be understood as an extension of mixture density models, in which the constant mixture weights are replaced by flexible functions. As a consequence, DIF are better suited for capturing distributions with discontinuities, sharp edges and fine details, which is a main advantage of this construction. Finally we propose a methodology for constructiong DIF in practice, and see that DIF can be sequentially cascaded, and cascaded with NF.
In safety-critical applications, practitioners are reluctant to trust neural networks when no interpretable explanations are available. Many attempts to provide such explanations revolve around pixel-based attributions or use previously known concepts. In this paper we aim to provide explanations by provably identifying \emph{high-level, previously unknown ground-truth concepts}. To this end, we propose a probabilistic modeling framework to derive (C)oncept (L)earning and (P)rediction (CLAP) -- a VAE-based classifier that uses visually interpretable concepts as predictors for a simple classifier. Assuming a generative model for the ground-truth concepts, we prove that CLAP is able to identify them while attaining optimal classification accuracy. Our experiments on synthetic datasets verify that CLAP identifies distinct ground-truth concepts on synthetic datasets and yields promising results on the medical Chest X-Ray dataset.
Black-box variational inference (BBVI) now sees widespread use in machine learning and statistics as a fast yet flexible alternative to Markov chain Monte Carlo methods for approximate Bayesian inference. However, stochastic optimization methods for BBVI remain unreliable and require substantial expertise and hand-tuning to apply effectively. In this paper, we propose Robust and Automated Black-box VI (RABVI), a framework for improving the reliability of BBVI optimization. RABVI is based on rigorously justified automation techniques, includes just a small number of intuitive tuning parameters, and detects inaccurate estimates of the optimal variational approximation. RABVI adaptively decreases the learning rate by detecting convergence of the fixed--learning-rate iterates, then estimates the symmetrized Kullback--Leibler (KL) divergence between the current variational approximation and the optimal one. It also employs a novel optimization termination criterion that enables the user to balance desired accuracy against computational cost by comparing (i) the predicted relative decrease in the symmetrized KL divergence if a smaller learning were used and (ii) the predicted computation required to converge with the smaller learning rate. We validate the robustness and accuracy of RABVI through carefully designed simulation studies and on a diverse set of real-world model and data examples.
Stochastic planning can be reduced to probabilistic inference in large discrete graphical models, but hardness of inference requires approximation schemes to be used. In this paper we argue that such applications can be disentangled along two dimensions. The first is the direction of information flow in the idealized exact optimization objective, i.e., forward vs backward inference. The second is the type of approximation used to compute this objective, e.g., Belief Propagation (BP) vs mean field variational inference (MFVI). This new categorization allows us to unify a large amount of isolated efforts in prior work explaining their connections and differences as well as potential improvements. An extensive experimental evaluation over large stochastic planning problems shows the advantage of forward BP over several algorithms based on MFVI. An analysis of practical limitations of MFVI motivates a novel algorithm, collapsed state variational inference (CSVI), which provides a tighter approximation and achieves comparable planning performance with forward BP.
We propose a new differentiable probabilistic model over DAGs (DP-DAG). DP-DAG allows fast and differentiable DAG sampling suited to continuous optimization. To this end, DP-DAG samples a DAG by successively (1) sampling a linear ordering of the node and (2) sampling edges consistent with the sampled linear ordering. We further propose VI-DP-DAG, a new method for DAG learning from observational data which combines DP-DAG with variational inference. Hence,VI-DP-DAG approximates the posterior probability over DAG edges given the observed data. VI-DP-DAG is guaranteed to output a valid DAG at any time during training and does not require any complex augmented Lagrangian optimization scheme in contrast to existing differentiable DAG learning approaches. In our extensive experiments, we compare VI-DP-DAG to other differentiable DAG learning baselines on synthetic and real datasets. VI-DP-DAG significantly improves DAG structure and causal mechanism learning while training faster than competitors.
The Gaussian Process Convolution Model (GPCM; Tobar et al., 2015a) is a model for signals with complex spectral structure. A significant limitation of the GPCM is that it assumes a rapidly decaying spectrum: it can only model smooth signals. Moreover, inference in the GPCM currently requires (1) a mean-field assumption, resulting in poorly calibrated uncertainties, and (2) a tedious variational optimisation of large covariance matrices. We redesign the GPCM model to induce a richer distribution over the spectrum with relaxed assumptions about smoothness: the Causal Gaussian Process Convolution Model (CGPCM) introduces a causality assumption into the GPCM, and the Rough Gaussian Process Convolution Model (RGPCM) can be interpreted as a Bayesian nonparametric generalisation of the fractional Ornstein-Uhlenbeck process. We also propose a more effective variational inference scheme, going beyond the mean-field assumption: we design a Gibbs sampler which directly samples from the optimal variational solution, circumventing any variational optimisation entirely. The proposed variations of the GPCM are validated in experiments on synthetic and real-world data, showing promising results.
Streamlined qBOLD acquisitions enable experimentally straightforward observations of brain oxygen metabolism. $R_2^\prime$ maps are easily inferred; however, the Oxygen extraction fraction (OEF) and deoxygenated blood volume (DBV) are more ambiguously determined from the data. As such, existing inference methods tend to yield very noisy and underestimated OEF maps, while overestimating DBV. This work describes a novel probabilistic machine learning approach that can infer plausible distributions of OEF and DBV. Initially, we create a model that produces informative voxelwise prior distribution based on synthetic training data. Contrary to prior work, we model the joint distribution of OEF and DBV through a scaled multivariate logit-Normal distribution, which enables the values to be constrained within a plausible range. The prior distribution model is used to train an efficient amortized variational Bayesian inference model. This model learns to infer OEF and DBV by predicting real image data, with few training data required, using the signal equations as a forward model. We demonstrate that our approach enables the inference of smooth OEF and DBV maps, with a physiologically plausible distribution that can be adapted through specification of an informative prior distribution. Other benefits include model comparison (via the evidence lower bound) and uncertainty quantification for identifying image artefacts. Results are demonstrated on a small study comparing subjects undergoing hyperventilation and at rest. We illustrate that the proposed approach allows measurement of gray matter differences in OEF and DBV and enables voxelwise comparison between conditions, where we observe significant increases in OEF and $R_2^\prime$ during hyperventilation.
We present Sequential Neural Variational Inference (SNVI), an approach to perform Bayesian inference in models with intractable likelihoods. SNVI combines likelihood-estimation (or likelihood-ratio-estimation) with variational inference to achieve a scalable simulation-based inference approach. SNVI maintains the flexibility of likelihood(-ratio) estimation to allow arbitrary proposals for simulations, while simultaneously providing a functional estimate of the posterior distribution without requiring MCMC sampling. We present several variants of SNVI and demonstrate that they are substantially more computationally efficient than previous algorithms, without loss of accuracy on benchmark tasks. We apply SNVI to a neuroscience model of the pyloric network in the crab and demonstrate that it can infer the posterior distribution with one order of magnitude fewer simulations than previously reported. SNVI vastly reduces the computational cost of simulation-based inference while maintaining accuracy and flexibility, making it possible to tackle problems that were previously inaccessible.
A key design constraint when implementing Monte Carlo and variational inference algorithms is that it must be possible to cheaply and exactly evaluate the marginal densities of proposal distributions and variational families. This takes many interesting proposals off the table, such as those based on involved simulations or stochastic optimization. This paper broadens the design space, by presenting a framework for applying Monte Carlo and variational inference algorithms when proposal densities cannot be exactly evaluated. Our framework, recursive auxiliary-variable inference (RAVI), instead approximates the necessary densities using meta-inference: an additional layer of Monte Carlo or variational inference, that targets the proposal, rather than the model. RAVI generalizes and unifies several existing methods for inference with expressive approximating families, which we show correspond to specific choices of meta-inference algorithm, and provides new theory for analyzing their bias and variance. We illustrate RAVI's design framework and theorems by using them to analyze and improve upon Salimans et al.'s Markov Chain Variational Inference, and to design a novel sampler for Dirichlet process mixtures, achieving state-of-the-art results on a standard benchmark dataset from astronomy and on a challenging datacleaning task with Medicare hospital data.
Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, \textit{i.e.}, interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.
Learning neural set functions becomes increasingly more important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority of existing works study methodologies of set function learning under the function value oracle, which, however, requires expensive supervision signals. This renders it impractical for applications with only weak supervisions under the Optimal Subset (OS) oracle, the study of which is surprisingly overlooked. In this work, we present a principled yet practical maximum likelihood learning framework, termed as EquiVSet, that simultaneously meets the following desiderata of learning set functions under the OS oracle: i) permutation invariance of the set mass function being modeled; ii) permission of varying ground set; iii) minimum prior; and iv) scalability. The main components of our framework involve: an energy-based treatment of the set mass function, DeepSet-style architectures to handle permutation invariance, mean-field variational inference, and its amortized variants. Thanks to the elegant combination of these advanced architectures, empirical studies on three real-world applications (including Amazon product recommendation, set anomaly detection, and compound selection for virtual screening) demonstrate that EquiVSet outperforms the baselines by a large margin.
Phylogenetics is a classical methodology in computational biology that today has become highly relevant for medical investigation of single-cell data, e.g., in the context of cancer development. The exponential size of the tree space is, unfortunately, a substantial obstacle for Bayesian phylogenetic inference using Markov chain Monte Carlo based methods since these rely on local operations. And although more recent variational inference (VI) based methods offer speed improvements, they rely on expensive auto-differentiation operations for learning the variational parameters. We propose VaiPhy, a remarkably fast VI based algorithm for approximate posterior inference in an augmented tree space. VaiPhy produces marginal log-likelihood estimates on par with the state-of-the-art methods on real data and is considerably faster since it does not require auto-differentiation. Instead, VaiPhy combines coordinate ascent update equations with two novel sampling schemes: (i) SLANTIS, a proposal distribution for tree topologies in the augmented tree space, and (ii) the JC sampler, to the best of our knowledge, the first-ever scheme for sampling branch lengths directly from the popular Jukes-Cantor model. We compare VaiPhy in terms of density estimation and runtime. Additionally, we evaluate the reproducibility of the baselines. We provide our code on GitHub: \url{https://github.com/Lagergren-Lab/VaiPhy}.