We propose a concise function representation based on deterministic finite state automata for exact most probable explanation and constrained optimization tasks in graphical models. We then exploit our concise representation within Bucket Elimination (BE). We denote our version of BE as FABE. FABE significantly improves the performance of BE in terms of runtime and memory requirements by minimizing redundancy. Results on most probable explanation and weighted constraint satisfaction benchmarks show that FABE often outperforms the state of the art, leading to significant runtime improvements (up to 5 orders of magnitude in our tests).
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We propose and analyze an approximate message passing (AMP) algorithm for the matrix tensor product model, which is a generalization of the standard spiked matrix models that allows for multiple types of pairwise observations over a collection of latent variables. A key innovation for this algorithm is a method for optimally weighing and combining multiple estimates in each iteration. Building upon an AMP convergence theorem for non-separable functions, we prove a state evolution for non-separable functions that provides an asymptotically exact description of its performance in the high-dimensional limit. We leverage this state evolution result to provide necessary and sufficient conditions for recovery of the signal of interest. Such conditions depend on the singular values of a linear operator derived from an appropriate generalization of a signal-to-noise ratio for our model. Our results recover as special cases a number of recently proposed methods for contextual models (e.g., covariate assisted clustering) as well as inhomogeneous noise models.
PyBADS is a Python implementation of the Bayesian Adaptive Direct Search (BADS) algorithm for fast and robust black-box optimization (Acerbi and Ma 2017). BADS is an optimization algorithm designed to efficiently solve difficult optimization problems where the objective function is rough (non-convex, non-smooth), mildly expensive (e.g., the function evaluation requires more than 0.1 seconds), possibly noisy, and gradient information is unavailable. With BADS, these issues are well addressed, making it an excellent choice for fitting computational models using methods such as maximum-likelihood estimation. The algorithm scales efficiently to black-box functions with up to $D \approx 20$ continuous input parameters and supports bounds or no constraints. PyBADS comes along with an easy-to-use Pythonic interface for running the algorithm and inspecting its results. PyBADS only requires the user to provide a Python function for evaluating the target function, and optionally other constraints. Extensive benchmarks on both artificial test problems and large real model-fitting problems models drawn from cognitive, behavioral and computational neuroscience, show that BADS performs on par with or better than many other common and state-of-the-art optimizers (Acerbi and Ma 2017), making it a general model-fitting tool which provides fast and robust solutions.
We consider the problem of sequentially optimizing a time-varying objective function using time-varying Bayesian optimization (TVBO). Here, the key challenge is the exploration-exploitation trade-off under time variations. Current approaches to TVBO require prior knowledge of a constant rate of change. However, in practice, the rate of change is usually unknown. We propose an event-triggered algorithm, ET-GP-UCB, that treats the optimization problem as static until it detects changes in the objective function online and then resets the dataset. This allows the algorithm to adapt to realized temporal changes without the need for prior knowledge. The event-trigger is based on probabilistic uniform error bounds used in Gaussian process regression. We provide regret bounds for ET-GP-UCB and show in numerical experiments that it outperforms state-of-the-art algorithms on synthetic and real-world data. Furthermore, these results demonstrate that ET-GP-UCB is readily applicable to various settings without tuning hyperparameters.
A novel numerical strategy is introduced for computing approximations of solutions to a Cahn-Hilliard model with degenerate mobilities. This model has recently been introduced as a second-order phase-field approximation for surface diffusion flows. Its numerical discretization is challenging due to the degeneracy of the mobilities, which generally requires an implicit treatment to avoid stability issues at the price of increased complexity costs. To mitigate this drawback, we consider new first- and second-order Scalar Auxiliary Variable (SAV) schemes that, differently from existing approaches, focus on the relaxation of the mobility, rather than the Cahn-Hilliard energy. These schemes are introduced and analysed theoretically in the general context of gradient flows and then specialised for the Cahn-Hilliard equation with mobilities. Various numerical experiments are conducted to highlight the advantages of these new schemes in terms of accuracy, effectiveness and computational cost.
We present a novel and easy-to-use method for calibrating error-rate based confidence intervals to evidence-based support intervals. Support intervals are obtained from inverting Bayes factors based on a parameter estimate and its standard error. A $k$ support interval can be interpreted as "the observed data are at least $k$ times more likely under the included parameter values than under a specified alternative". Support intervals depend on the specification of prior distributions for the parameter under the alternative, and we present several types that allow different forms of external knowledge to be encoded. We also show how prior specification can to some extent be avoided by considering a class of prior distributions and then computing so-called minimum support intervals which, for a given class of priors, have a one-to-one mapping with confidence intervals. We also illustrate how the sample size of a future study can be determined based on the concept of support. Finally, we show how the bound for the type I error rate of Bayes factors leads to a bound for the coverage of support intervals. An application to data from a clinical trial illustrates how support intervals can lead to inferences that are both intuitive and informative.
Maximum Inner Product Search (MIPS) is a ubiquitous task in machine learning applications such as recommendation systems. Given a query vector and $n$ atom vectors in $d$-dimensional space, the goal of MIPS is to find the atom that has the highest inner product with the query vector. Existing MIPS algorithms scale at least as $O(\sqrt{d})$, which becomes computationally prohibitive in high-dimensional settings. In this work, we present BanditMIPS, a novel randomized MIPS algorithm whose complexity is independent of $d$. BanditMIPS estimates the inner product for each atom by subsampling coordinates and adaptively evaluates more coordinates for more promising atoms. The specific adaptive sampling strategy is motivated by multi-armed bandits. We provide theoretical guarantees that BanditMIPS returns the correct answer with high probability, while improving the complexity in $d$ from $O(\sqrt{d})$ to $O(1)$. We also perform experiments on four synthetic and real-world datasets and demonstrate that BanditMIPS outperforms prior state-of-the-art algorithms. For example, in the Movie Lens dataset ($n$=4,000, $d$=6,000), BanditMIPS is 20$\times$ faster than the next best algorithm while returning the same answer. BanditMIPS requires no preprocessing of the data and includes a hyperparameter that practitioners may use to trade off accuracy and runtime. We also propose a variant of our algorithm, named BanditMIPS-$\alpha$, which achieves further speedups by employing non-uniform sampling across coordinates. Finally, we demonstrate how known preprocessing techniques can be used to further accelerate BanditMIPS, and discuss applications to Matching Pursuit and Fourier analysis.
We present a model-agnostic algorithm for generating post-hoc explanations and uncertainty intervals for a machine learning model when only a static sample of inputs and outputs from the model is available, rather than direct access to the model itself. This situation may arise when model evaluations are expensive; when privacy, security and bandwidth constraints are imposed; or when there is a need for real-time, on-device explanations. Our algorithm uses a bootstrapping approach to quantify the uncertainty that inevitably arises when generating explanations from a finite sample of model queries. Through a simulation study, we show that the uncertainty intervals generated by our algorithm exhibit a favorable trade-off between interval width and coverage probability compared to the naive confidence intervals from classical regression analysis as well as current Bayesian approaches for quantifying explanation uncertainty. We further demonstrate the capabilities of our method by applying it to black-box models, including a deep neural network, trained on three real-world datasets.
We focus on analyzing the classical stochastic projected gradient methods under a general dependent data sampling scheme for constrained smooth nonconvex optimization. We show the worst-case rate of convergence $\tilde{O}(t^{-1/4})$ and complexity $\tilde{O}(\varepsilon^{-4})$ for achieving an $\varepsilon$-near stationary point in terms of the norm of the gradient of Moreau envelope and gradient mapping. While classical convergence guarantee requires i.i.d. data sampling from the target distribution, we only require a mild mixing condition of the conditional distribution, which holds for a wide class of Markov chain sampling algorithms. This improves the existing complexity for the constrained smooth nonconvex optimization with dependent data from $\tilde{O}(\varepsilon^{-8})$ to $\tilde{O}(\varepsilon^{-4})$ with a significantly simpler analysis. We illustrate the generality of our approach by deriving convergence results with dependent data for stochastic proximal gradient methods, adaptive stochastic gradient algorithm AdaGrad and stochastic gradient algorithm with heavy ball momentum. As an application, we obtain first online nonnegative matrix factorization algorithms for dependent data based on stochastic projected gradient methods with adaptive step sizes and optimal rate of convergence.
Moving horizon estimation (MHE) is a widely studied state estimation approach in several practical applications. In the MHE problem, the state estimates are obtained via the solution of an approximated nonlinear optimization problem. However, this optimization step is known to be computationally complex. Given this limitation, this paper investigates the idea of iteratively preconditioned gradient-descent (IPG) to solve MHE problem with the aim of an improved performance than the existing solution techniques. To our knowledge, the preconditioning technique is used for the first time in this paper to reduce the computational cost and accelerate the crucial optimization step for MHE. The convergence guarantee of the proposed iterative approach for a class of MHE problems is presented. Additionally, sufficient conditions for the MHE problem to be convex are also derived. Finally, the proposed method is implemented on a unicycle localization example. The simulation results demonstrate that the proposed approach can achieve better accuracy with reduced computational costs.
Current deep learning research is dominated by benchmark evaluation. A method is regarded as favorable if it empirically performs well on the dedicated test set. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving sets of benchmark data are investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten due to the iterative parameter updates. However, comparison of individual methods is nevertheless treated in isolation from real world application and typically judged by monitoring accumulated test set performance. The closed world assumption remains predominant. It is assumed that during deployment a model is guaranteed to encounter data that stems from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown instances and break down in the face of corrupted data. In this work we argue that notable lessons from open set recognition, the identification of statistically deviating data outside of the observed dataset, and the adjacent field of active learning, where data is incrementally queried such that the expected performance gain is maximized, are frequently overlooked in the deep learning era. Based on these forgotten lessons, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Our results show that this not only benefits each individual paradigm, but highlights the natural synergies in a common framework. We empirically demonstrate improvements when alleviating catastrophic forgetting, querying data in active learning, selecting task orders, while exhibiting robust open world application where previously proposed methods fail.
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