The l1-regularization is very popular in high dimensional statistics -- it changes a combinatorial problem of choosing which subset of the parameter are zero, into a simple continuous optimization. Using a continuous prior concentrated near zero, the Bayesian counterparts are successful in quantifying the uncertainty in the variable selection problems; nevertheless, the lack of exact zeros makes it difficult for broader problems such as the change-point detection and rank selection. Inspired by the duality of the l1-regularization as a constraint onto an l1-ball, we propose a new prior by projecting a continuous distribution onto the l1-ball. This creates a positive probability on the ball boundary, which contains both continuous elements and exact zeros. Unlike the spike-and-slab prior, this l1-ball projection is continuous and differentiable almost surely, making the posterior estimation amenable to the Hamiltonian Monte Carlo algorithm. We examine the properties, such as the volume change due to the projection, the connection to the combinatorial prior, the minimax concentration rate in the linear problem. We demonstrate the usefulness of exact zeros that simplify the combinatorial problems, such as the change-point detection in time series, the dimension selection of mixture model and the low-rank-plus-sparse change detection in the medical images.
Analyzing multiple studies allows leveraging data from a range of sources and populations, but until recently, there have been limited methodologies to approach the joint unsupervised analysis of multiple high-dimensional studies. A recent method, Bayesian Multi-Study Factor Analysis (BMSFA), identifies latent factors common to all studies, as well as latent factors specific to individual studies. However, BMSFA does not allow for partially shared factors, i.e. latent factors shared by more than one but less than all studies. We extend BMSFA by introducing a new method, Tetris, for Bayesian co…
University of Hawaii Manoa（夏威夷大学马诺阿分校）；Coveo Solutions Inc.（Coveo解决方案公司）
We present a proof of a combinatorial conjecture from the second author's Ph.D. thesis. The proof relies on binomial and multinomial sums identities. We also discuss the relevance of the conjecture in the context of PAC-Bayesian machine learning.
Bayesian optimization is a popular method for solving the problem of global optimization of an expensive-to-evaluate black-box function. It relies on a probabilistic surrogate model of the objective function, upon which an acquisition function is built to determine where next to evaluate the objective function. In general, Bayesian optimization with Gaussian process regression operates on a continuous space. When input variables are categorical or discrete, an extra care is needed. A common approach is to use one-hot encoded or Boolean representation for categorical variables which might yield…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
This paper focuses on Bayesian Optimization in combinatorial spaces. In many applications in the natural science. Broad applications include the study of molecules, proteins, DNA, device structures and quantum circuit designs, a on optimization over combinatorial categorical spaces is needed to find optimal or pareto-optimal solutions. However, only a limited amount of methods have been proposed to tackle this problem. Many of them depend on employing Gaussian Process for combinatorial Bayesian Optimizations. Gaussian Processes suffer from scalability issues for large data sizes as their scali…
We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We use Bayesian Optimization (BO) and propose a novel surrogate modeling approach for efficiently handling a large number of binary and categorical parameters. The key idea is to select a number of discrete structures from the input space (the dictionary) and use them to define an ordinal embedding for high-dimensional combinatorial structures. This allows us to use existing Gaussian process models for continuous spaces. …
We study the problem of optimizing expensive blackbox functions over combinatorial spaces (e.g., sets, sequences, trees, and graphs). BOCS (Baptista and Poloczek, 2018) is a state-of-the-art Bayesian optimization method for tractable statistical models, which performs semi-definite programming based acquisition function optimization (AFO) to select the next structure for evaluation. Unfortunately, BOCS scales poorly for large number of binary and/or categorical variables. Based on recent advances in submodular relaxation (Ito and Fujimaki, 2016) for solving Binary Quadratic Programs, we study …
University of Amsterdam（阿姆斯特丹大学）；Qualcomm AI Research（高通人工智能研究院）
In this work we propose a batch Bayesian optimization method for combinatorial problems on permutations, which is well suited for expensive-to-evaluate objectives. We first introduce LAW, an efficient batch acquisition method based on determinantal point processes using the acquisition weighted kernel. Relying on multiple parallel evaluations, LAW enables accelerated search on combinatorial spaces. We then apply the framework to permutation problems, which have so far received little attention in the Bayesian Optimization literature, despite their practical importance. We call this method LAW2…
Instant-runoff voting (IRV) is used in several countries around the world. It requires voters to rank candidates in order of preference, and uses a counting algorithm that is more complex than systems such as first-past-the-post or scoring rules. An even more complex system, the single transferable vote (STV), is used when multiple candidates need to be elected. The complexity of these systems has made it difficult to audit the election outcomes. There is currently no known risk-limiting audit (RLA) method for STV, other than a full manual count of the ballots. A new approach to auditing these…
Learning the structure of Bayesian networks is a difficult combinatorial optimization problem. In this paper, we consider learning of tree-augmented naive Bayes (TAN) structures for Bayesian network classifiers with discrete input features. Instead of performing a combinatorial optimization over the space of possible graph structures, the proposed method learns a distribution over graph structures. After training, we select the most probable structure of this distribution. This allows for a joint training of the Bayesian network parameters along with its TAN structure using gradient-based opti…
University of Edinburgh（爱丁堡大学）；Technische Universität Darmstadt（达姆施塔特工业大学）；Huawei Noah’s Ark Lab（华为诺亚方舟实验室）；University of Oslo（奥斯陆大学）；American University of Beirut Medical Centre（贝鲁特美国大学医学中心）；University College London（伦敦大学学院）
Antibodies are canonically Y-shaped multimeric proteins capable of highly specific molecular recognition. The CDRH3 region located at the tip of variable chains of an antibody dominates antigen-binding specificity. Therefore, it is a priority to design optimal antigen-specific CDRH3 regions to develop therapeutic antibodies. However, the combinatorial nature of CDRH3 sequence space makes it impossible to search for an optimal binding sequence exhaustively and efficiently using computational approaches. Here, we present \texttt{AntBO}: a combinatorial Bayesian optimisation framework enabling ef…
Microsoft Research（微软研究院）；Stanford University（斯坦福大学）
We address online combinatorial optimization when the player has a prior over the adversary's sequence of losses. In this framework, Russo and Van Roy proposed an information-theoretic analysis of Thompson Sampling based on the information ratio, resulting in optimal worst-case regret bounds. In this paper we introduce three novel ideas to this line of work. First we propose a new quantity, the scale-sensitive information ratio, which allows us to obtain more refined first-order regret bounds (i.e., bounds of the form $\sqrt{L^*}$ where $L^*$ is the loss of the best combinatorial action). Seco…
Stanford University（斯坦福大学）；EPFL（洛桑联邦理工学院）；Delft University of Technology（代尔夫特理工大学）
We introduce a distributionally robust minimium mean square error estimation model with a Wasserstein ambiguity set to recover an unknown signal from a noisy observation. The proposed model can be viewed as a zero-sum game between a statistician choosing an estimator -- that is, a measurable function of the observation -- and a fictitious adversary choosing a prior -- that is, a pair of signal and noise distributions ranging over independent Wasserstein balls -- with the goal to minimize and maximize the expected squared estimation error, respectively. We show that if the Wasserstein balls are…
一个理想的受认知启发的记忆系统会压缩和组织传入的项目。Kanerva Machine（Wu et al，2018）是一种贝叶斯模型，可以自然地实现在线内存压缩。然而，Kanerva机器的组织受到其使用单个高斯随机矩阵进行存储的限制。在这里，我们介绍产品Kanerva机器，它动态地结合了许多较小的Kanerva机器。它的分层结构提供了一种原则性的方法来抽象不变的特征，并提供了比单个Kanerva机器更大的扩展和容量优势。我们表明，它可以表现出无监督的聚类，找到稀疏和组合的分配模式，并发现空间调整，近似分解简单的图像对象。
We investigate the problem of deriving adaptive posterior rates of contraction on $\mathbb{L}^{\infty}$ balls in density estimation. Although it is known that log-density priors can achieve optimal rates when the true density is sufficiently smooth, adaptive rates were still to be proven. Here we establish that the so-called spike-and-slab prior can achieve adaptive and optimal posterior contraction rates. Along the way, we prove a generic $\mathbb{L}^{\infty}$ contraction result for log-density priors with independent wavelet coefficients. Interestingly, our approach is different from previou…
