Uncertainty
Learning multi-modal generative models with permutation-invariant encoders and tighter variational bounds
Hirt, Marcel, Campolo, Domenico, Leong, Victoria, Ortega, Juan-Pablo
Devising deep latent variable models for multi-modal data has been a long-standing theme in machine learning research. Multi-modal Variational Autoencoders (VAEs) have been a popular generative model class that learns latent representations which jointly explain multiple modalities. Various objective functions for such models have been suggested, often motivated as lower bounds on the multi-modal data log-likelihood or from information-theoretic considerations. In order to encode latent variables from different modality subsets, Product-of-Experts (PoE) or Mixture-of-Experts (MoE) aggregation schemes have been routinely used and shown to yield different trade-offs, for instance, regarding their generative quality or consistency across multiple modalities. In this work, we consider a variational bound that can tightly lower bound the data log-likelihood. We develop more flexible aggregation schemes that generalise PoE or MoE approaches by combining encoded features from different modalities based on permutation-invariant neural networks. Our numerical experiments illustrate trade-offs for multi-modal variational bounds and various aggregation schemes. We show that tighter variational bounds and more flexible aggregation models can become beneficial when one wants to approximate the true joint distribution over observed modalities and latent variables in identifiable models.
Towards solving model bias in cosmic shear forward modeling
Remy, Benjamin, Lanusse, Francois, Starck, Jean-Luc
As the volume and quality of modern galaxy surveys increase, so does the difficulty of measuring the cosmological signal imprinted in galaxy shapes. Weak gravitational lensing sourced by the most massive structures in the Universe generates a slight shearing of galaxy morphologies called cosmic shear, key probe for cosmological models. Modern techniques of shear estimation based on statistics of ellipticity measurements suffer from the fact that the ellipticity is not a well-defined quantity for arbitrary galaxy light profiles, biasing the shear estimation. We show that a hybrid physical and deep learning Hierarchical Bayesian Model, where a generative model captures the galaxy morphology, enables us to recover an unbiased estimate of the shear on realistic galaxies, thus solving the model bias.
Generalised Bayesian Inference for Discrete Intractable Likelihood
Matsubara, Takuo, Knoblauch, Jeremias, Briol, François-Xavier, Oates, Chris. J.
Discrete state spaces represent a major computational challenge to statistical inference, since the computation of normalisation constants requires summation over large or possibly infinite sets, which can be impractical. This paper addresses this computational challenge through the development of a novel generalised Bayesian inference procedure suitable for discrete intractable likelihood. Inspired by recent methodological advances for continuous data, the main idea is to update beliefs about model parameters using a discrete Fisher divergence, in lieu of the problematic intractable likelihood. The result is a generalised posterior that can be sampled from using standard computational tools, such as Markov chain Monte Carlo, circumventing the intractable normalising constant. The statistical properties of the generalised posterior are analysed, with sufficient conditions for posterior consistency and asymptotic normality established. In addition, a novel and general approach to calibration of generalised posteriors is proposed. Applications are presented on lattice models for discrete spatial data and on multivariate models for count data, where in each case the methodology facilitates generalised Bayesian inference at low computational cost.
Adaptive Uncertainty-Guided Model Selection for Data-Driven PDE Discovery
Thanasutives, Pongpisit, Morita, Takashi, Numao, Masayuki, Fukui, Ken-ichi
We propose a new parameter-adaptive uncertainty-penalized Bayesian information criterion (UBIC) to prioritize the parsimonious partial differential equation (PDE) that sufficiently governs noisy spatial-temporal observed data with few reliable terms. Since the naive use of the BIC for model selection has been known to yield an undesirable overfitted PDE, the UBIC penalizes the found PDE not only by its complexity but also the quantified uncertainty, derived from the model supports' coefficient of variation in a probabilistic view. We also introduce physics-informed neural network learning as a simulation-based approach to further validate the selected PDE flexibly against the other discovered PDE. Numerical results affirm the successful application of the UBIC in identifying the true governing PDE. Additionally, we reveal an interesting effect of denoising the observed data on improving the trade-off between the BIC score and model complexity. Code is available at https://github.com/Pongpisit-Thanasutives/UBIC.
Fuzzy Approach for Audio-Video Emotion Recognition in Computer Games for Children
Kozlov, Pavel, Akram, Alisher, Shamoi, Pakizar
Computer games are widespread nowadays and enjoyed by people of all ages. But when it comes to kids, playing these games can be more than just fun, it is a way for them to develop important skills and build emotional intelligence. Facial expressions and sounds that kids produce during gameplay reflect their feelings, thoughts, and moods. In this paper, we propose a novel framework that integrates a fuzzy approach for the recognition of emotions through the analysis of audio and video data. Our focus lies within the specific context of computer games tailored for children, aiming to enhance their overall user experience. We use the FER dataset to detect facial emotions in video frames recorded from the screen during the game. For the audio emotion recognition of sounds a kid produces during the game, we use CREMA-D, TESS, RAVDESS, and Savee datasets. Next, a fuzzy inference system is used for the fusion of results. Besides this, our system can detect emotion stability and emotion diversity during gameplay, which, together with prevailing emotion report, can serve as valuable information for parents worrying about the effect of certain games on their kids. The proposed approach has shown promising results in the preliminary experiments we conducted, involving 3 different video games, namely fighting, racing, and logic games, and providing emotion-tracking results for kids in each game. Our study can contribute to the advancement of child-oriented game development, which is not only engaging but also accounts for children's cognitive and emotional states.
Scalable and adaptive variational Bayes methods for Hawkes processes
Sulem, Deborah, Rivoirard, Vincent, Rousseau, Judith
Hawkes processes are often applied to model dependence and interaction phenomena in multivariate event data sets, such as neuronal spike trains, social interactions, and financial transactions. In the nonparametric setting, learning the temporal dependence structure of Hawkes processes is generally a computationally expensive task, all the more with Bayesian estimation methods. In particular, for generalised nonlinear Hawkes processes, Monte-Carlo Markov Chain methods applied to compute the doubly intractable posterior distribution are not scalable to high-dimensional processes in practice. Recently, efficient algorithms targeting a mean-field variational approximation of the posterior distribution have been proposed. In this work, we first unify existing variational Bayes approaches under a general nonparametric inference framework, and analyse the asymptotic properties of these methods under easily verifiable conditions on the prior, the variational class, and the nonlinear model. Secondly, we propose a novel sparsity-inducing procedure, and derive an adaptive mean-field variational algorithm for the popular sigmoid Hawkes processes. Our algorithm is parallelisable and therefore computationally efficient in high-dimensional setting. Through an extensive set of numerical simulations, we also demonstrate that our procedure is able to adapt to the dimensionality of the parameter of the Hawkes process, and is partially robust to some type of model mis-specification. Keywords: temporal point processes, bayesian nonparametrics, connectivity graph, variational approximation.
On the Independencies Hidden in the Structure of a Probabilistic Logic Program
Rückschloß, Kilian, Weitkämper, Felix
Pearl and Verma developed d-separation as a widely used graphical criterion to reason about the conditional independencies that are implied by the causal structure of a Bayesian network. As acyclic ground probabilistic logic programs correspond to Bayesian networks on their dependency graph, we can compute conditional independencies from d-separation in the latter. In the present paper, we generalize the reasoning above to the non-ground case. First, we abstract the notion of a probabilistic logic program away from external databases and probabilities to obtain so-called program structures. We then present a correct meta-interpreter that decides whether a certain conditional independence statement is implied by a program structure on a given external database. Finally, we give a fragment of program structures for which we obtain a completeness statement of our conditional independence oracle. We close with an experimental evaluation of our approach revealing that our meta-interpreter performs significantly faster than checking the definition of independence using exact inference in ProbLog 2.
RetroBridge: Modeling Retrosynthesis with Markov Bridges
Igashov, Ilia, Schneuing, Arne, Segler, Marwin, Bronstein, Michael, Correia, Bruno
Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.
Hypernetwork approach to Bayesian MAML
Borycki, Piotr, Kubacki, Piotr, Przewięźlikowski, Marcin, Kuśmierczyk, Tomasz, Tabor, Jacek, Spurek, Przemysław
The main goal of Few-Shot learning algorithms is to enable learning from small amounts of data. One of the most popular and elegant Few-Shot learning approaches is Model-Agnostic Meta-Learning (MAML). The main idea behind this method is to learn the shared universal weights of a meta-model, which are then adapted for specific tasks. However, the method suffers from over-fitting and poorly quantifies uncertainty due to limited data size. Bayesian approaches could, in principle, alleviate these shortcomings by learning weight distributions in place of point-wise weights. Unfortunately, previous modifications of MAML are limited due to the simplicity of Gaussian posteriors, MAML-like gradient-based weight updates, or by the same structure enforced for universal and adapted weights. In this paper, we propose a novel framework for Bayesian MAML called BayesianHMAML, which employs Hypernetworks for weight updates. It learns the universal weights point-wise, but a probabilistic structure is added when adapted for specific tasks. In such a framework, we can use simple Gaussian distributions or more complicated posteriors induced by Continuous Normalizing Flows.
Minimal Assumptions for Optimal Serology Classification: Theory and Implications for Multidimensional Settings and Impure Training Data
Patrone, Paul N., Binder, Raquel A., Forconi, Catherine S., Moormann, Ann M., Kearsley, Anthony J.
Minimizing error in prevalence estimates and diagnostic classifiers remains a challenging task in serology. In theory, these problems can be reduced to modeling class-conditional probability densities (PDFs) of measurement outcomes, which control all downstream analyses. However, this task quickly succumbs to the curse of dimensionality, even for assay outputs with only a few dimensions (e.g. target antigens). To address this problem, we propose a technique that uses empirical training data to classify samples and estimate prevalence in arbitrary dimension without direct access to the conditional PDFs. We motivate this method via a lemma that relates relative conditional probabilities to minimum-error classification boundaries. This leads us to formulate an optimization problem that: (i) embeds the data in a parameterized, curved space; (ii) classifies samples based on their position relative to a coordinate axis; and (iii) subsequently optimizes the space by minimizing the empirical classification error of pure training data, for which the classes are known. Interestingly, the solution to this problem requires use of a homotopy-type method to stabilize the optimization. We then extend the analysis to the case of impure training data, for which the classes are unknown. We find that two impure datasets suffice for both prevalence estimation and classification, provided they satisfy a linear independence property. Lastly, we discuss how our analysis unifies discriminative and generative learning techniques in a common framework based on ideas from set and measure theory. Throughout, we validate our methods in the context of synthetic data and a research-use SARS-CoV-2 enzyme-linked immunosorbent (ELISA) assay.