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 Uncertainty


Fine-Grained Zero-Shot Learning with DNA as Side Information

Neural Information Processing Systems

Fine-grained zero-shot learning task requires some form of side-information to transfer discriminative information from seen to unseen classes. As manually annotated visual attributes are extremely costly and often impractical to obtain for a large number of classes, in this study we use DNA as a side information for the first time for fine-grained zero-shot classification of species. Mitochondrial DNA plays an important role as a genetic marker in evolutionary biology and has been used to achieve near perfect accuracy in species classification of living organisms. We implement a simple hierarchical Bayesian model that uses DNA information to establish the hierarchy in the image space and employs local priors to define surrogate classes for unseen ones. On the benchmark CUB dataset we show that DNA can be equally promising, yet in general a more accessible alternative than word vectors as a side information. This is especially important as obtaining robust word representations for fine-grained species names is not a practicable goal when information about these species in free-form text is limited. On a newly compiled fine-grained insect dataset that uses DNA information from over a thousand species we show that the Bayesian approach outperforms state-of-the-art by a wide margin.


Is Score Matching Suitable for Estimating Point Processes?

Neural Information Processing Systems

Score matching estimators for point processes have gained widespread attention in recent years because they do not require the calculation of intensity integrals, thereby effectively addressing the computational challenges in maximum likelihood estimation (MLE). Some existing works have proposed score matching estimators for point processes. However, this work demonstrates that the incompleteness of the estimators proposed in those works renders them applicable only to specific problems, and they fail for more general point processes. To address this issue, this work introduces the weighted score matching estimator to point processes. Theoretically, we prove the consistency of the estimator we propose. Experimental results indicate that our estimator accurately estimates model parameters on synthetic data and yields results consistent with MLE on real data. In contrast, existing score matching estimators fail to perform effectively.


Relative gradient optimization of the Jacobian term in unsupervised deep learning

Neural Information Processing Systems

Learning expressive probabilistic models correctly describing the data is a ubiquitous problem in machine learning. A popular approach for solving it is mapping the observations into a representation space with a simple joint distribution, which can typically be written as a product of its marginals -- thus drawing a connection with the field of nonlinear independent component analysis. Deep density models have been widely used for this task, but their maximum likelihood based training requires estimating the log-determinant of the Jacobian and is computationally expensive, thus imposing a trade-off between computation and expressive power. In this work, we propose a new approach for exact training of such neural networks. Based on relative gradients, we exploit the matrix structure of neural network parameters to compute updates efficiently even in high-dimensional spaces; the computational cost of the training is quadratic in the input size, in contrast with the cubic scaling of naive approaches. This allows fast training with objective functions involving the log-determinant of the Jacobian, without imposing constraints on its structure, in stark contrast to autoregressive normalizing flows.


Conformal Bayesian Computation

Neural Information Processing Systems

We develop scalable methods for producing conformal Bayesian predictive intervals with finite sample calibration guarantees. Bayesian posterior predictive distributions, $p(y \mid x)$, characterize subjective beliefs on outcomes of interest, $y$, conditional on predictors, $x$. Bayesian prediction is well-calibrated when the model is true, but the predictive intervals may exhibit poor empirical coverage when the model is misspecified, under the so called ${\cal{M}}$-open perspective. In contrast, conformal inference provides finite sample frequentist guarantees on predictive confidence intervals without the requirement of model fidelity. Using'add-one-in' importance sampling, we show that conformal Bayesian predictive intervals are efficiently obtained from re-weighted posterior samples of model parameters. Our approach contrasts with existing conformal methods that require expensive refitting of models or data-splitting to achieve computational efficiency. We demonstrate the utility on a range of examples including extensions to partially exchangeable settings such as hierarchical models.


Optimal Regret Is Achievable with Bounded Approximate Inference Error: An Enhanced Bayesian Upper Confidence Bound Framework

Neural Information Processing Systems

Bayesian bandit algorithms with approximate Bayesian inference have been widely used in real-world applications. However, there is a large discrepancy between the superior practical performance of these approaches and their theoretical justification. Previous research only indicates a negative theoretical result: Thompson sampling could have a worst-case linear regret $\Omega(T)$ with a constant threshold on the inference error measured by one $\alpha$-divergence. To bridge this gap, we propose an Enhanced Bayesian Upper Confidence Bound (EBUCB) framework that can efficiently accommodate bandit problems in the presence of approximate inference. Our theoretical analysis demonstrates that for Bernoulli multi-armed bandits, EBUCB can achieve the optimal regret order $O(\log T)$ if the inference error measured by two different $\alpha$-divergences is less than a constant, regardless of how large this constant is. To our best knowledge, our study provides the first theoretical regret bound that is better than $o(T)$ in the setting of constant approximate inference error. Furthermore, in concordance with the negative results in previous studies, we show that only one bounded $\alpha$-divergence is insufficient to guarantee a sub-linear regret.


Sample-Efficient Reinforcement Learning of Partially Observable Markov Games

Neural Information Processing Systems

This paper considers the challenging tasks of Multi-Agent Reinforcement Learning (MARL) under partial observability, where each agent only sees her own individual observations and actions that reveal incomplete information about the underlying state of system. This paper studies these tasks under the general model of multiplayer general-sum Partially Observable Markov Games (POMGs), which is significantly larger than the standard model of Imperfect Information Extensive-Form Games (IIEFGs). We identify a rich subclass of POMGs---weakly revealing POMGs---in which sample-efficient learning is tractable. In the self-play setting, we prove that a simple algorithm combining optimism and Maximum Likelihood Estimation (MLE) is sufficient to find approximate Nash equilibria, correlated equilibria, as well as coarse correlated equilibria of weakly revealing POMGs, in a polynomial number of samples when the number of agents is small. In the setting of playing against adversarial opponents, we show that a variant of our optimistic MLE algorithm is capable of achieving sublinear regret when being compared against the optimal maximin policies. To our best knowledge, this work provides the first line of sample-efficient results for learning POMGs.


Markovian Score Climbing: Variational Inference with KL(p

Neural Information Processing Systems

Modern variational inference (VI) uses stochastic gradients to avoid intractable expectations, enabling large-scale probabilistic inference in complex models. VI posits a family of approximating distributions q and then finds the member of that family that is closest to the exact posterior p. Traditionally, VI algorithms minimize the "exclusive Kullback-Leibler (KL)" KL(q||p), often for computational convenience. Recent research, however, has also focused on the "inclusive KL" KL(p||q), which has good statistical properties that makes it more appropriate for certain inference problems. This paper develops a simple algorithm for reliably minimizing the inclusive KL using stochastic gradients with vanishing bias. This method, which we call Markovian score climbing (MSC), converges to a local optimum of the inclusive KL. It does not suffer from the systematic errors inherent in existing methods, such as Reweighted Wake-Sleep and Neural Adaptive Sequential Monte Carlo, which lead to bias in their final estimates. We illustrate convergence on a toy model and demonstrate the utility of MSC on Bayesian probit regression for classification as well as a stochastic volatility model for financial data.


Diffusion Normalizing Flow

Neural Information Processing Systems

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform the data into Gaussian random noise, and a backward SDE that gradually removes the noise to sample from the data distribution. By jointly training the two neural SDEs to minimize a common cost function that quantifies the difference between the two, the backward SDE converges to a diffusion process the starts with a Gaussian distribution and ends with the desired data distribution. Our method is closely related to normalizing flow and diffusion probabilistic models, and can be viewed as a combination of the two. Compared with normalizing flow, diffusion normalizing flow is able to learn distributions with sharp boundaries. Compared with diffusion probabilistic models, diffusion normalizing flow requires fewer discretization steps and thus has better sampling efficiency. Our algorithm demonstrates competitive performance in both high-dimension data density estimation and image generation tasks.


ARTree: A Deep Autoregressive Model for Phylogenetic Inference

Neural Information Processing Systems

Designing flexible probabilistic models over tree topologies is important for developing efficient phylogenetic inference methods. To do that, previous works often leverage the similarity of tree topologies via hand-engineered heuristic features which would require domain expertise and may suffer from limited approximation capability. In this paper, we propose a deep autoregressive model for phylogenetic inference based on graph neural networks (GNNs), called ARTree. By decomposing a tree topology into a sequence of leaf node addition operations and modeling the involved conditional distributions based on learnable topological features via GNNs, ARTree can provide a rich family of distributions over tree topologies that have simple sampling algorithms, without using heuristic features. We demonstrate the effectiveness and efficiency of our method on a benchmark of challenging real data tree topology density estimation and variational Bayesian phylogenetic inference problems.


Spike and slab variational Bayes for high dimensional logistic regression

Neural Information Processing Systems

Variational Bayes (VB) is a popular scalable alternative to Markov chain Monte Carlo for Bayesian inference. We study a mean-field spike and slab VB approximation of widely used Bayesian model selection priors in sparse high-dimensional logistic regression. We provide non-asymptotic theoretical guarantees for the VB posterior in both $\ell_2$ and prediction loss for a sparse truth, giving optimal (minimax) convergence rates. Since the VB algorithm does not depend on the unknown truth to achieve optimality, our results shed light on effective prior choices. We confirm the improved performance of our VB algorithm over common sparse VB approaches in a numerical study.