Uncertainty
Rescuing neural spike train models from bad MLE
Arribas, Diego M., Zhao, Yuan, Park, Il Memming
The standard approach to fitting an autoregressive spike train model is to maximize the likelihood for one-step prediction. This maximum likelihood estimation (MLE) often leads to models that perform poorly when generating samples recursively for more than one time step. Moreover, the generated spike trains can fail to capture important features of the data and even show diverging firing rates. To alleviate this, we propose to directly minimize the divergence between neural recorded and model generated spike trains using spike train kernels. We develop a method that stochastically optimizes the maximum mean discrepancy induced by the kernel. Experiments performed on both real and synthetic neural data validate the proposed approach, showing that it leads to well-behaving models. Using different combinations of spike train kernels, we show that we can control the trade-off between different features which is critical for dealing with model-mismatch.
Learning from missing data with the Latent Block Model
Frisch, Gabriel, Lรฉger, Jean-Benoist, Grandvalet, Yves
Missing data can be informative. Ignoring this information can lead to misleading conclusions when the data model does not allow information to be extracted from the missing data. We propose a co-clustering model, based on the Latent Block Model, that aims to take advantage of this nonignorable nonresponses, also known as Missing Not At Random data (MNAR). A variational expectation-maximization algorithm is derived to perform inference and a model selection criterion is presented. We assess the proposed approach on a simulation study, before using our model on the voting records from the lower house of the French Parliament, where our analysis brings out relevant groups of MPs and texts, together with a sensible interpretation of the behavior of non-voters.
Goal-directed Generation of Discrete Structures with Conditional Generative Models
Mollaysa, Amina, Paige, Brooks, Kalousis, Alexandros
Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy desired constraints or exhibit desired properties is difficult. In practice, expensive heuristic search or reinforcement learning algorithms are often employed. In this paper we investigate the use of conditional generative models which directly attack this inverse problem, by modeling the distribution of discrete structures given properties of interest. Unfortunately, maximum likelihood training of such models often fails with the samples from the generative model inadequately respecting the input properties. To address this, we introduce a novel approach to directly optimize a reinforcement learning objective, maximizing an expected reward. We avoid high-variance score-function estimators that would otherwise be required by sampling from an approximation to the normalized rewards, allowing simple Monte Carlo estimation of model gradients. We test our methodology on two tasks: generating molecules with user-defined properties, and identifying short python expressions which evaluate to a given target value. In both cases we find improvements over maximum likelihood estimation and other baselines.
Advances in Black-Box VI: Normalizing Flows, Importance Weighting, and Optimization
Agrawal, Abhinav, Sheldon, Daniel, Domke, Justin
Recent research has seen several advances relevant to black-box VI, but the current state of automatic posterior inference is unclear. One such advance is the use of normalizing flows to define flexible posterior densities for deep latent variable models. Another direction is the integration of Monte-Carlo methods to serve two purposes; first, to obtain tighter variational objectives for optimization, and second, to define enriched variational families through sampling. However, both flows and variational Monte-Carlo methods remain relatively unexplored for black-box VI. Moreover, on a pragmatic front, there are several optimization considerations like step-size scheme, parameter initialization, and choice of gradient estimators, for which there are no clear guidance in the existing literature. In this paper, we postulate that black-box VI is best addressed through a careful combination of numerous algorithmic components. We evaluate components relating to optimization, flows, and Monte-Carlo methods on a benchmark of 30 models from the Stan model library. The combination of these algorithmic components significantly advances the state-of-the-art "out of the box" variational inference.
Depth Uncertainty in Neural Networks
Antorรกn, Javier, Allingham, James Urquhart, Hernรกndez-Lobato, Josรฉ Miguel
Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over the depth of neural networks. Different depths correspond to subnetworks which share weights and whose predictions are combined via marginalisation, yielding model uncertainty. By exploiting the sequential structure of feed-forward networks, we are able to both evaluate our training objective and make predictions with a single forward pass. We validate our approach on real-world regression and image classification tasks. Our approach provides uncertainty calibration, robustness to dataset shift, and accuracies competitive with more computationally expensive baselines.
Predicting Infectiousness for Proactive Contact Tracing
Bengio, Yoshua, Gupta, Prateek, Maharaj, Tegan, Rahaman, Nasim, Weiss, Martin, Deleu, Tristan, Muller, Eilif, Qu, Meng, Schmidt, Victor, St-Charles, Pierre-Luc, Alsdurf, Hannah, Bilanuik, Olexa, Buckeridge, David, Caron, Gรกetan Marceau, Carrier, Pierre-Luc, Ghosn, Joumana, Ortiz-Gagne, Satya, Pal, Chris, Rish, Irina, Schรถlkopf, Bernhard, Sharma, Abhinav, Tang, Jian, Williams, Andrew
The COVID-19 pandemic has spread rapidly worldwide, overwhelming manual contact tracing in many countries and resulting in widespread lockdowns for emergency containment. Various DCT methods have been proposed, each making tradeoffs between privacy, mobility restrictions, and public health. The most common approach, binary contact tracing (BCT), models infection as a binary event, informed only by an individual's test results, with corresponding binary recommendations that either all or none of the individual's contacts quarantine. BCT ignores the inherent uncertainty in contacts and the infection process, which could be used to tailor messaging to high-risk individuals, and prompt proactive testing or earlier warnings. It also does not make use of observations such as symptoms or preexisting medical conditions, which could be used to make more accurate infectiousness predictions. In this paper, we use a recently-proposed COVID-19 epidemiological simulator to develop and test methods that can be deployed to a smartphone to locally and proactively predict an individual's infectiousness (risk of infecting others) based on their contact history and other information, while respecting strong privacy constraints. Predictions are used to provide personalized recommendations to the individual via an app, as well as to send anonymized messages to the individual's contacts, who use this information to better predict their own infectiousness, an approach we call proactive contact tracing (PCT). Similarly to other works, we find that compared to no tracing, all DCT methods tested are able to reduce spread of the disease and thus save lives, even at low adoption rates, strongly supporting a role for DCT methods in managing the pandemic. Further, we find a deep-learning based PCT method which improves over BCT for equivalent average mobility, suggesting PCT could help in safe reopening and second-wave prevention. Until pharmaceutical interventions such as a vaccine become available, control of the COVID-19 pandemic relies on nonpharmaceutical interventions such as lockdown and social distancing. While these have often been successful in limiting spread of the disease in the short term, these restrictive measures have important negative social, mental health, and economic impacts. Digital contact tracing (DCT), a technique to track the spread of the virus among individuals in a population using smartphones, is an attractive potential solution to help reduce growth in the number of cases and thereby allow more economic and social activities to resume while keeping the number of cases low. All bolded terms are defined in the Glossary; Appendix 1.
Rationally Biased Learning
When we assess pros and cons in decision making, we weigh losses more than gains (Kahneman and Tversky (1979)). We are more frightened by a snake or a spider than by a passing car or an electrical shuffle. Such human assessments are qualified of biases, because they depart from physical measurements or objective statistical estimates. Thus, there is "bias" when a behavior is not aligned with a given "rationality benchmark" (like expected utility theory), as documented in the "heuristics and biases" literature (Kahneman et al. (1982); Gilovich et al. (2002)). However, if such biases are found consistently in human behavior, they must certainly have a reason. Some scholars (see (Gigerenzer (2004, 2008); Hutchinson and Gigerenzer (2005))) claim that those"so-called bias" were in
Probabilistic Circuits for Variational Inference in Discrete Graphical Models
Inference in discrete graphical models with variational methods is difficult because of the inability to re-parameterize gradients of the Evidence Lower Bound (ELBO). Many sampling-based methods have been proposed for estimating these gradients, but they suffer from high bias or variance. In this paper, we propose a new approach that leverages the tractability of probabilistic circuit models, such as Sum Product Networks (SPN), to compute ELBO gradients exactly (without sampling) for a certain class of densities. In particular, we show that selective-SPNs are suitable as an expressive variational distribution, and prove that when the log-density of the target model is a polynomial the corresponding ELBO can be computed analytically. To scale to graphical models with thousands of variables, we develop an efficient and effective construction of selective-SPNs with size $O(kn)$, where $n$ is the number of variables and $k$ is an adjustable hyperparameter. We demonstrate our approach on three types of graphical models -- Ising models, Latent Dirichlet Allocation, and factor graphs from the UAI Inference Competition. Selective-SPNs give a better lower bound than mean-field and structured mean-field, and is competitive with approximations that do not provide a lower bound, such as Loopy Belief Propagation and Tree-Reweighted Belief Propagation. Our results show that probabilistic circuits are promising tools for variational inference in discrete graphical models as they combine tractability and expressivity.
Adversarially-learned Inference via an Ensemble of Discrete Undirected Graphical Models
Jeewajee, Adarsh K., Kaelbling, Leslie P.
Undirected graphical models are compact representations of joint probability distributions over random variables. To solve inference tasks of interest, graphical models of arbitrary topology can be trained using empirical risk minimization. However, to solve inference tasks that were not seen during training, these models (EGMs) often need to be re-trained. Instead, we propose an inference-agnostic adversarial training framework which produces an infinitely-large ensemble of graphical models (AGMs). The ensemble is optimized to generate data within the GAN framework, and inference is performed using a finite subset of these models. AGMs perform comparably with EGMs on inference tasks that the latter were specifically optimized for. Most importantly, AGMs show significantly better generalization to unseen inference tasks compared to EGMs, as well as deep neural architectures like GibbsNet and VAEAC which allow arbitrary conditioning. Finally, AGMs allow fast data sampling, competitive with Gibbs sampling from EGMs.