Deep Adaptive Design: Amortizing Sequential Bayesian Experimental Design

We introduce Deep Adaptive Design (DAD), a general method for amortizing the cost of performing sequential adaptive experiments using the framework of Bayesian optimal experimental design (BOED). Traditional sequential BOED approaches require substantial computational time at each stage of the experiment. This makes them unsuitable for most real-world applications, where decisions must typically be made quickly. DAD addresses this restriction by learning an amortized design network upfront and then using this to rapidly run (multiple) adaptive experiments at deployment time. This network takes as input the data from previous steps, and outputs the next design using a single forward pass; these design decisions can be made in milliseconds during the live experiment. To train the network, we introduce contrastive information bounds that are suitable objectives for the sequential setting, and propose a customized network architecture that exploits key symmetries. We demonstrate that DAD successfully amortizes the process of experimental design, outperforming alternative strategies on a number of problems.

Improving Transformation Invariance in Contrastive Representation Learning

We propose methods to strengthen the invariance properties of representations obtained by contrastive learning. While existing approaches implicitly induce a degree of invariance as representations are learned, we look to more directly enforce invariance in the encoding process. To this end, we first introduce a training objective for contrastive learning that uses a novel regularizer to control how the representation changes under transformation. We show that representations trained with this objective perform better on downstream tasks and are more robust to the introduction of nuisance transformations at test time. Second, we propose a change to how test time representations are generated by introducing a feature averaging approach that combines encodings from multiple transformations of the original input, finding that this leads to across the board performance gains. Finally, we introduce the novel Spirograph dataset to explore our ideas in the context of a differentiable generative process with multiple downstream tasks, showing that our techniques for learning invariance are highly beneficial.

A Unified Stochastic Gradient Approach to Designing Bayesian-Optimal Experiments

We introduce a fully stochastic gradient based approach to Bayesian optimal experimental design (BOED). This is achieved through the use of variational lower bounds on the expected information gain (EIG) of an experiment that can be simultaneously optimized with respect to both the variational and design parameters. This allows the design process to be carried out through a single unified stochastic gradient ascent procedure, in contrast to existing approaches that typically construct an EIG estimator on a pointwise basis, before passing this estimator to a separate optimizer. We show that this, in turn, leads to more efficient BOED schemes and provide a number of a different variational objectives suited to different settings. Furthermore, we show that our gradient-based approaches are able to provide effective design optimization in substantially higher dimensional settings than existing approaches.

Variational Estimators for Bayesian Optimal Experimental Design

Bayesian optimal experimental design (BOED) is a principled framework for making efficient use of limited experimental resources. Unfortunately, its applicability is hampered by the difficulty of obtaining accurate estimates of the expected information gain (EIG) of an experiment. To address this, we introduce several classes of fast EIG estimators suited to the experiment design context by building on ideas from variational inference and mutual information estimation. We show theoretically and empirically that these estimators can provide significant gains in speed and accuracy over previous approaches. We demonstrate the practicality of our approach via a number of experiments, including an adaptive experiment with human participants.

Sampling and Inference for Beta Neutral-to-the-Left Models of Sparse Networks

Empirical evidence suggests that heavy-tailed degree distributions occurring in many real networks are well-approximated by power laws with exponents $\eta$ that may take values either less than and greater than two. Models based on various forms of exchangeability are able to capture power laws with $\eta < 2$, and admit tractable inference algorithms; we draw on previous results to show that $\eta > 2$ cannot be generated by the forms of exchangeability used in existing random graph models. Preferential attachment models generate power law exponents greater than two, but have been of limited use as statistical models due to the inherent difficulty of performing inference in non-exchangeable models. Motivated by this gap, we design and implement inference algorithms for a recently proposed class of models that generates $\eta$ of all possible values. We show that although they are not exchangeable, these models have probabilistic structure amenable to inference. Our methods make a large class of previously intractable models useful for statistical inference.