Bayesian Inference
World Models and Predictive Coding for Cognitive and Developmental Robotics: Frontiers and Challenges
Taniguchi, Tadahiro, Murata, Shingo, Suzuki, Masahiro, Ognibene, Dimitri, Lanillos, Pablo, Ugur, Emre, Jamone, Lorenzo, Nakamura, Tomoaki, Ciria, Alejandra, Lara, Bruno, Pezzulo, Giovanni
Creating autonomous robots that can actively explore the environment, acquire knowledge and learn skills continuously is the ultimate achievement envisioned in cognitive and developmental robotics. Their learning processes should be based on interactions with their physical and social world in the manner of human learning and cognitive development. Based on this context, in this paper, we focus on the two concepts of world models and predictive coding. Recently, world models have attracted renewed attention as a topic of considerable interest in artificial intelligence. Cognitive systems learn world models to better predict future sensory observations and optimize their policies, i.e., controllers. Alternatively, in neuroscience, predictive coding proposes that the brain continuously predicts its inputs and adapts to model its own dynamics and control behavior in its environment. Both ideas may be considered as underpinning the cognitive development of robots and humans capable of continual or lifelong learning. Although many studies have been conducted on predictive coding in cognitive robotics and neurorobotics, the relationship between world model-based approaches in AI and predictive coding in robotics has rarely been discussed. Therefore, in this paper, we clarify the definitions, relationships, and status of current research on these topics, as well as missing pieces of world models and predictive coding in conjunction with crucially related concepts such as the free-energy principle and active inference in the context of cognitive and developmental robotics. Furthermore, we outline the frontiers and challenges involved in world models and predictive coding toward the further integration of AI and robotics, as well as the creation of robots with real cognitive and developmental capabilities in the future.
GAR: Generalized Autoregression for Multi-Fidelity Fusion
Wang, Yuxin, Xing, Zheng, Xing, Wei W.
In many scientific research and engineering applications where repeated simulations of complex systems are conducted, a surrogate is commonly adopted to quickly estimate the whole system. To reduce the expensive cost of generating training examples, it has become a promising approach to combine the results of low-fidelity (fast but inaccurate) and high-fidelity (slow but accurate) simulations. Despite the fast developments of multi-fidelity fusion techniques, most existing methods require particular data structures and do not scale well to high-dimensional output. To resolve these issues, we generalize the classic autoregression (AR), which is wildly used due to its simplicity, robustness, accuracy, and tractability, and propose generalized autoregression (GAR) using tensor formulation and latent features. GAR can deal with arbitrary dimensional outputs and arbitrary multifidelity data structure to satisfy the demand of multi-fidelity fusion for complex problems; it admits a fully tractable likelihood and posterior requiring no approximate inference and scales well to high-dimensional problems. Furthermore, we prove the autokrigeability theorem based on GAR in the multi-fidelity case and develop CIGAR, a simplified GAR with the exact predictive mean accuracy with computation reduction by a factor of d 3, where d is the dimensionality of the output. The empirical assessment includes many canonical PDEs and real scientific examples and demonstrates that the proposed method consistently outperforms the SOTA methods with a large margin (up to 6x improvement in RMSE) with only a couple high-fidelity training samples.
A fully Bayesian sparse polynomial chaos expansion approach with joint priors on the coefficients and global selection of terms
Bรผrkner, Paul-Christian, Krรถker, Ilja, Oladyshkin, Sergey, Nowak, Wolfgang
Polynomial chaos expansion (PCE) is a versatile tool widely used in uncertainty quantification and machine learning, but its successful application depends strongly on the accuracy and reliability of the resulting PCE-based response surface. High accuracy typically requires high polynomial degrees, demanding many training points especially in high-dimensional problems through the curse of dimensionality. So-called sparse PCE concepts work with a much smaller selection of basis polynomials compared to conventional PCE approaches and can overcome the curse of dimensionality very efficiently, but have to pay specific attention to their strategies of choosing training points. Furthermore, the approximation error resembles an uncertainty that most existing PCE-based methods do not estimate. In this study, we develop and evaluate a fully Bayesian approach to establish the PCE representation via joint shrinkage priors and Markov chain Monte Carlo. The suggested Bayesian PCE model directly aims to solve the two challenges named above: achieving a sparse PCE representation and estimating uncertainty of the PCE itself. The embedded Bayesian regularizing via the joint shrinkage prior allows using higher polynomial degrees for given training points due to its ability to handle underdetermined situations, where the number of considered PCE coefficients could be much larger than the number of available training points. We also explore multiple variable selection methods to construct sparse PCE expansions based on the established Bayesian representations, while globally selecting the most meaningful orthonormal polynomials given the available training data. We demonstrate the advantages of our Bayesian PCE and the corresponding sparsity-inducing methods on several benchmarks.
A survey and taxonomy of loss functions in machine learning
Ciampiconi, Lorenzo, Elwood, Adam, Leonardi, Marco, Mohamed, Ashraf, Rozza, Alessandro
Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.
Bayesian inference via sparse Hamiltonian flows
Chen, Naitong, Xu, Zuheng, Campbell, Trevor
A Bayesian coreset is a small, weighted subset of data that replaces the full dataset during Bayesian inference, with the goal of reducing computational cost. Although past work has shown empirically that there often exists a coreset with low inferential error, efficiently constructing such a coreset remains a challenge. Current methods tend to be slow, require a secondary inference step after coreset construction, and do not provide bounds on the data marginal evidence. In this work, we introduce a new method -- sparse Hamiltonian flows -- that addresses all three of these challenges. The method involves first subsampling the data uniformly, and then optimizing a Hamiltonian flow parametrized by coreset weights and including periodic momentum quasi-refreshment steps. Theoretical results show that the method enables an exponential compression of the dataset in a representative model, and that the quasi-refreshment steps reduce the KL divergence to the target. Real and synthetic experiments demonstrate that sparse Hamiltonian flows provide accurate posterior approximations with significantly reduced runtime compared with competing dynamical-system-based inference methods.
Distributional Robustness Bounds Generalization Errors
Wang, Shixiong, Wang, Haowei, Honorio, Jean
Bayesian methods, distributionally robust optimization methods, and regularization methods are three pillars of trustworthy machine learning hedging against distributional uncertainty, e.g., the uncertainty of an empirical distribution compared to the true underlying distribution. This paper investigates the connections among the three frameworks and, in particular, explores why these frameworks tend to have smaller generalization errors. Specifically, first, we suggest a quantitative definition for "distributional robustness", propose the concept of "robustness measure", and formalize several philosophical concepts in distributionally robust optimization. Second, we show that Bayesian methods are distributionally robust in the probably approximately correct (PAC) sense; In addition, by constructing a Dirichlet-process-like prior in Bayesian nonparametrics, it can be proven that any regularized empirical risk minimization method is equivalent to a Bayesian method. Third, we show that generalization errors of machine learning models can be characterized using the distributional uncertainty of the nominal distribution and the robustness measures of these machine learning models, which is a new perspective to bound generalization errors, and therefore, explain the reason why distributionally robust machine learning models, Bayesian models, and regularization models tend to have smaller generalization errors.
Variational Inference: Posterior Threshold Improves Network Clustering Accuracy in Sparse Regimes
Variational inference has been widely used in machine learning literature to fit various Bayesian models. In network analysis, this method has been successfully applied to solve the community detection problems. Although these results are promising, their theoretical support is only for relatively dense networks, an assumption that may not hold for real networks. In addition, it has been shown recently that the variational loss surface has many saddle points, which may severely affect its performance, especially when applied to sparse networks. This paper proposes a simple way to improve the variational inference method by hard thresholding the posterior of the community assignment after each iteration. Using a random initialization that correlates with the true community assignment, we show that the proposed method converges and can accurately recover the true community labels, even when the average node degree of the network is bounded. Extensive numerical study further confirms the advantage of the proposed method over the classical variational inference and another state-of-the-art algorithm.
Contrastive Neural Ratio Estimation
Miller, Benjamin Kurt, Weniger, Christoph, Forrรฉ, Patrick
Likelihood-to-evidence ratio estimation is usually cast as either a binary (NRE-A) or a multiclass (NRE-B) classification task. In contrast to the binary classification framework, the current formulation of the multiclass version has an intrinsic and unknown bias term, making otherwise informative diagnostics unreliable. We propose a multiclass framework free from the bias inherent to NRE-B at optimum, leaving us in the position to run diagnostics that practitioners depend on. It also recovers NRE-A in one corner case and NRE-B in the limiting case. For fair comparison, we benchmark the behavior of all algorithms in both familiar and novel training regimes: when jointly drawn data is unlimited, when data is fixed but prior draws are unlimited, and in the commonplace fixed data and parameters setting. Our investigations reveal that the highest performing models are distant from the competitors (NRE-A, NRE-B) in hyperparameter space. We make a recommendation for hyperparameters distinct from the previous models. We suggest a bound on the mutual information as a performance metric for simulation-based inference methods, without the need for posterior samples, and provide experimental results.
Application of machine learning to gas flaring
Currently in the petroleum industry, operators often flare the produced gas instead of commodifying it. The flaring magnitudes are large in some states, which constitute problems with energy waste and CO2 emissions. In North Dakota, operators are required to estimate and report the volume flared. The questions are, how good is the quality of this reporting, and what insights can be drawn from it? Apart from the company-reported statistics, which are available from the North Dakota Industrial Commission (NDIC), flared volumes can be estimated via satellite remote sensing, serving as an unbiased benchmark. Since interpretation of the Landsat 8 imagery is hindered by artifacts due to glow, the estimated volumes based on the Visible Infrared Imaging Radiometer Suite (VIIRS) are used. Reverse geocoding is performed for comparing and contrasting the NDIC and VIIRS data at different levels, such as county and oilfield. With all the data gathered and preprocessed, Bayesian learning implemented by MCMC methods is performed to address three problems: county level model development, flaring time series analytics, and distribution estimation. First, there is heterogeneity among the different counties, in the associations between the NDIC and VIIRS volumes. In light of such, models are developed for each county by exploiting hierarchical models. Second, the flaring time series, albeit noisy, contains information regarding trends and patterns, which provide some insights into operator approaches. Gaussian processes are found to be effective in many different pattern recognition scenarios. Third, distributional insights are obtained through unsupervised learning. The negative binomial and GMMs are found to effectively describe the oilfield flare count and flared volume distributions, respectively. Finally, a nearest-neighbor-based approach for operator level monitoring and analytics is introduced.
Toward a `Standard Model' of Machine Learning
Machine learning (ML) is about computational methods that enable machines to learn concepts from experience. In handling a wide variety of experience ranging from data instances, knowledge, constraints, to rewards, adversaries, and lifelong interaction in an ever-growing spectrum of tasks, contemporary ML/AI (artificial intelligence) research has resulted in a multitude of learning paradigms and methodologies. Despite the continual progresses on all different fronts, the disparate narrowly focused methods also make standardized, composable, and reusable development of ML approaches difficult, and preclude the opportunity to build AI agents that panoramically learn from all types of experience. This article presents a standardized ML formalism, in particular a `standard equation' of the learning objective, that offers a unifying understanding of many important ML algorithms in the supervised, unsupervised, knowledge-constrained, reinforcement, adversarial, and online learning paradigms, respectively -- those diverse algorithms are encompassed as special cases due to different choices of modeling components. The framework also provides guidance for mechanical design of new ML approaches and serves as a promising vehicle toward panoramic machine learning with all experience.