Uncertainty
Black Box Variational Inference with a Deterministic Objective: Faster, More Accurate, and Even More Black Box
Giordano, Ryan, Ingram, Martin, Broderick, Tamara
Automatic differentiation variational inference (ADVI) offers fast and easy-to-use posterior approximation in multiple modern probabilistic programming languages. However, its stochastic optimizer lacks clear convergence criteria and requires tuning parameters. Moreover, ADVI inherits the poor posterior uncertainty estimates of mean-field variational Bayes (MFVB). We introduce "deterministic ADVI" (DADVI) to address these issues. DADVI replaces the intractable MFVB objective with a fixed Monte Carlo approximation, a technique known in the stochastic optimization literature as the "sample average approximation" (SAA). By optimizing an approximate but deterministic objective, DADVI can use off-the-shelf second-order optimization, and, unlike standard mean-field ADVI, is amenable to more accurate posterior covariances via linear response (LR). In contrast to existing worst-case theory, we show that, on certain classes of common statistical problems, DADVI and the SAA can perform well with relatively few samples even in very high dimensions, though we also show that such favorable results cannot extend to variational approximations that are too expressive relative to mean-field ADVI. We show on a variety of real-world problems that DADVI reliably finds good solutions with default settings (unlike ADVI) and, together with LR covariances, is typically faster and more accurate than standard ADVI.
Farm-wide virtual load monitoring for offshore wind structures via Bayesian neural networks
Hlaing, N., Morato, Pablo G., Santos, F. d. N., Weijtjens, W., Devriendt, C., Rigo, P.
Offshore wind structures are subject to deterioration mechanisms throughout their operational lifetime. Even if the deterioration evolution of structural elements can be estimated through physics-based deterioration models, the uncertainties involved in the process hurdle the selection of lifecycle management decisions. In this scenario, the collection of relevant information through an efficient monitoring system enables the reduction of uncertainties, ultimately driving more optimal lifecycle decisions. However, a full monitoring instrumentation implemented on all wind turbines in a farm might become unfeasible due to practical and economical constraints. Besides, certain load monitoring systems often become defective after a few years of marine environment exposure. Addressing the aforementioned concerns, a farm-wide virtual load monitoring scheme directed by a fleet-leader wind turbine offers an attractive solution. Fetched with data retrieved from a fully-instrumented wind turbine, a model can be trained and then deployed, thus yielding load predictions of non-fully monitored wind turbines, from which only standard data remains available. In this paper, we propose a virtual load monitoring framework formulated via Bayesian neural networks (BNNs) and we provide relevant implementation details needed for the construction, training, and deployment of BNN data-based virtual monitoring models. As opposed to their deterministic counterparts, BNNs intrinsically announce the uncertainties associated with generated load predictions and allow to detect inaccurate load estimations generated for non-fully monitored wind turbines. The proposed virtual load monitoring is thoroughly tested through an experimental campaign in an operational offshore wind farm and the results demonstrate the effectiveness of BNN models for fleet-leader-based farm-wide virtual monitoring.
Exact Manifold Gaussian Variational Bayes
Magris, Martin, Shabani, Mostafa, Iosifidis, Alexandros
We propose an optimization algorithm for Variational Inference (VI) in complex models. Our approach relies on natural gradient updates where the variational space is a Riemann manifold. We develop an efficient algorithm for Gaussian Variational Inference that implicitly satisfies the positive definite constraint on the variational covariance matrix. Our Exact manifold Gaussian Variational Bayes (EMGVB) provides exact but simple update rules and is straightforward to implement. Due to its black-box nature, EMGVB stands as a ready-to-use solution for VI in complex models. Over five datasets, we empirically validate our feasible approach on different statistical, econometric, and deep learning models, discussing its performance with respect to baseline methods.
Improving multiple-try Metropolis with local balancing
Gagnon, Philippe, Maire, Florian, Zanella, Giacomo
Multiple-try Metropolis (MTM) is a popular Markov chain Monte Carlo method with the appealing feature of being amenable to parallel computing. At each iteration, it samples several candidates for the next state of the Markov chain and randomly selects one of them based on a weight function. The canonical weight function is proportional to the target density. We show both theoretically and empirically that this weight function induces pathological behaviours in high dimensions, especially during the convergence phase. We propose to instead use weight functions akin to the locally-balanced proposal distributions of Zanella (2020), thus yielding MTM algorithms that do not exhibit those pathological behaviours. To theoretically analyse these algorithms, we study the high-dimensional performance of ideal schemes that can be thought of as MTM algorithms which sample an infinite number of candidates at each iteration, as well as the discrepancy between such schemes and the MTM algorithms which sample a finite number of candidates. Our analysis unveils a strong distinction between the convergence and stationary phases: in the former, local balancing is crucial and effective to achieve fast convergence, while in the latter, the canonical and novel weight functions yield similar performance. Numerical experiments include an application in precision medicine involving a computationally-expensive forward model, which makes the use of parallel computing within MTM iterations beneficial.
Variational Autoencoding Molecular Graphs with Denoising Diffusion Probabilistic Model
Koge, Daiki, Ono, Naoaki, Kanaya, Shigehiko
In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors derived from molecular structures. These models can be trained on large datasets, which have only molecular structures, and applied to transfer learning. Nevertheless, the approximate posterior distribution of the latent vectors of the usual VAE assumes a simple multivariate Gaussian distribution with zero covariance, which may limit the performance of representing the latent features. To overcome this limitation, we propose a novel molecular deep generative model that incorporates a hierarchical structure into the probabilistic latent vectors. We achieve this by a denoising diffusion probabilistic model (DDPM). We demonstrate that our model can design effective molecular latent vectors for molecular property prediction from some experiments by small datasets on physical properties and activity. The results highlight the superior prediction performance and robustness of our model compared to existing approaches.
Nonparametric Spatio-Temporal Joint Probabilistic Data Association Coupled Filter and Interfering Extended Target Tracking
Akbari, Behzad, Zhu, Haibin, Pan, Ya-Jun, Tharmarasa, R.
Extended target tracking estimates the centroid and shape of the target in space and time. In various situations where extended target tracking is applicable, the presence of multiple targets can lead to interference, particularly when they maneuver behind one another in a sensor like a camera. Nonetheless, when dealing with multiple extended targets, there's a tendency for them to share similar shapes within a group, which can enhance their detectability. For instance, the coordinated movement of a cluster of aerial vehicles might cause radar misdetections during their convergence or divergence. Similarly, in the context of a self-driving car, lane markings might split or converge, resulting in inaccurate lane tracking detections. A well-known joint probabilistic data association coupled (JPDAC) filter can address this problem in only a single-point target tracking. A variation of JPDACF was developed by introducing a nonparametric Spatio-Temporal Joint Probabilistic Data Association Coupled Filter (ST-JPDACF) to address the problem for extended targets. Using different kernel functions, we manage the dependency of measurements in space (inside a frame) and time (between frames). Kernel functions are able to be learned using a limited number of training data. This extension can be used for tracking the shape and dynamics of nonparametric dependent extended targets in clutter when targets share measurements. The proposed algorithm was compared with other well-known supervised methods in the interfering case and achieved promising results.
Simulation-Based Prior Knowledge Elicitation for Parametric Bayesian Models
Bockting, Florence, Radev, Stefan T., Bürkner, Paul-Christian
A central characteristic of Bayesian statistics is the ability to consistently incorporate prior knowledge into various modeling processes. In this paper, we focus on translating domain expert knowledge into corresponding prior distributions over model parameters, a process known as prior elicitation. Expert knowledge can manifest itself in diverse formats, including information about raw data, summary statistics, or model parameters. A major challenge for existing elicitation methods is how to effectively utilize all of these different formats in order to formulate prior distributions that align with the expert's expectations, regardless of the model structure. To address these challenges, we develop a simulation-based elicitation method that can learn the hyperparameters of potentially any parametric prior distribution from a wide spectrum of expert knowledge using stochastic gradient descent. We validate the effectiveness and robustness of our elicitation method in four representative case studies covering linear models, generalized linear models, and hierarchical models. Our results support the claim that our method is largely independent of the underlying model structure and adaptable to various elicitation techniques, including quantile-based, moment-based, and histogram-based methods.
Learning to generate and corr- uh I mean repair language in real-time
Eshghi, Arash, Ashrafzadeh, Arash
In conversation, speakers produce language incrementally, word by word, while continuously monitoring the appropriateness of their own contribution in the dynamically unfolding context of the conversation; and this often leads them to repair their own utterance on the fly. This real-time language processing capacity is furthermore crucial to the development of fluent and natural conversational AI. In this paper, we use a previously learned Dynamic Syntax grammar and the CHILDES corpus to develop, train and evaluate a probabilistic model for incremental generation where input to the model is a purely semantic generation goal concept in Type Theory with Records (TTR). We show that the model's output exactly matches the gold candidate in 78% of cases with a ROUGE-l score of 0.86. We further do a zero-shot evaluation of the ability of the same model to generate self-repairs when the generation goal changes mid-utterance. Automatic evaluation shows that the model can generate self-repairs correctly in 85% of cases. A small human evaluation confirms the naturalness and grammaticality of the generated self-repairs. Overall, these results further highlight the generalisation power of grammar-based models and lay the foundations for more controllable, and naturally interactive conversational AI systems.
TrackFlow: Multi-Object Tracking with Normalizing Flows
Mancusi, Gianluca, Panariello, Aniello, Porrello, Angelo, Fabbri, Matteo, Calderara, Simone, Cucchiara, Rita
The field of multi-object tracking has recently seen a renewed interest in the good old schema of tracking-by-detection, as its simplicity and strong priors spare it from the complex design and painful babysitting of tracking-by-attention approaches. In view of this, we aim at extending tracking-by-detection to multi-modal settings, where a comprehensive cost has to be computed from heterogeneous information e.g., 2D motion cues, visual appearance, and pose estimates. More precisely, we follow a case study where a rough estimate of 3D information is also available and must be merged with other traditional metrics (e.g., the IoU). To achieve that, recent approaches resort to either simple rules or complex heuristics to balance the contribution of each cost. However, i) they require careful tuning of tailored hyperparameters on a hold-out set, and ii) they imply these costs to be independent, which does not hold in reality. We address these issues by building upon an elegant probabilistic formulation, which considers the cost of a candidate association as the negative log-likelihood yielded by a deep density estimator, trained to model the conditional joint probability distribution of correct associations. Our experiments, conducted on both simulated and real benchmarks, show that our approach consistently enhances the performance of several tracking-by-detection algorithms.