The COVID-19 pandemic provides new motivation for a classic problem in epidemiology: estimating the empirical rate of transmission during an outbreak (formally, the time-varying reproduction number) from case counts. While standard methods exist, they work best at coarse-grained national or state scales with abundant data, and struggle to accommodate the partial observability and sparse data common at finer scales (e.g., individual schools or towns). For example, case counts may be sparse when only a small fraction of infections are caught by a testing program. Or, whether an infected individual tests positive may depend on the kind of test and the point in time when they are tested. We propose a Bayesian framework which accommodates partial observability in a principled manner. Our model places a Gaussian process prior over the unknown reproduction number at each time step and models observations sampled from the distribution of a specific testing program. For example, our framework can accommodate a variety of kinds of tests (viral RNA, antibody, antigen, etc.) and sampling schemes (e.g., longitudinal or cross-sectional screening). Inference in this framework is complicated by the presence of tens or hundreds of thousands of discrete latent variables. To address this challenge, we propose an efficient stochastic variational inference method which relies on a novel gradient estimator for the variational objective. Experimental results for an example motivated by COVID-19 show that our method produces an accurate and well-calibrated posterior, while standard methods for estimating the reproduction number can fail badly.
Solving optimization problems with unknown parameters often requires learning a predictive model to predict the values of the unknown parameters and then solving the problem using these values. Recent work has shown that including the optimization problem as a layer in the model training pipeline results in predictions of the unobserved parameters that lead to higher decision quality. Unfortunately, this process comes at a large computational cost because the optimization problem must be solved and differentiated through in each training iteration; furthermore, it may also sometimes fail to improve solution quality due to non-smoothness issues that arise when training through a complex optimization layer. To address these shortcomings, we learn a low-dimensional surrogate model of a large optimization problem by representing the feasible space in terms of meta-variables, each of which is a linear combination of the original variables. By training a low-dimensional surrogate model end-to-end, and jointly with the predictive model, we achieve: i) a large reduction in training and inference time; and ii) improved performance by focusing attention on the more important variables in the optimization and learning in a smoother space. Empirically, we demonstrate these improvements on a non-convex adversary modeling task, a submodular recommendation task and a convex portfolio optimization task.
Persistence diagrams, a key tool in the field of Topological Data Analysis, concisely represent the topology of a point cloud. Most current methods to integrate persistence diagrams into machine learning either require prior knowledge of a ground-truth topology or map them into a feature vector, offering a trade-off between information loss and invoking the curse of dimensionality. In this paper we give an algorithm for Fuzzy c-Means (FCM) clustering directly on the space of persistence diagrams, enabling unsupervised learning that automatically captures the topological structure of data, with no prior knowledge or additional processing of persistence diagrams. We prove the same convergence guarantees as traditional FCM clustering: that any convergent subsequence of our algorithm tends to a local minimum or saddle point of the cost function. We end by presenting experiments that demonstrate our algorithm can successfully cluster transformed datasets from materials science where comparable Wasserstein barycentre clustering algorithms fail, whilst also running at least an order of magnitude faster.
A rising vision for AI in the open world centers on the development of systems that can complement humans for perceptual, diagnostic, and reasoning tasks. To date, systems aimed at complementing the skills of people have employed models trained to be as accurate as possible in isolation. We demonstrate how an end-to-end learning strategy can be harnessed to optimize the combined performance of human-machine teams by considering the distinct abilities of people and machines. The goal is to focus machine learning on problem instances that are difficult for humans, while recognizing instances that are difficult for the machine and seeking human input on them. We demonstrate in two real-world domains (scientific discovery and medical diagnosis) that human-machine teams built via these methods outperform the individual performance of machines and people. We then analyze conditions under which this complementarity is strongest, and which training methods amplify it. Taken together, our work provides the first systematic investigation of how machine learning systems can be trained to complement human reasoning.
Machine learning components commonly appear in larger decision-making pipelines; however, the model training process typically focuses only on a loss that measures accuracy between predicted values and ground truth values. Decision-focused learning explicitly integrates the downstream decision problem when training the predictive model, in order to optimize the quality of decisions induced by the predictions. It has been successfully applied to several limited combinatorial problem classes, such as those that can be expressed as linear programs (LP), and submodular optimization. However, these previous applications have uniformly focused on problems from specific classes with simple constraints. Here, we enable decision-focused learning for the broad class of problems that can be encoded as a Mixed Integer Linear Program (MIP), hence supporting arbitrary linear constraints over discrete and continuous variables. We show how to differentiate through a MIP by employing a cutting planes solution approach, which is an exact algorithm that iteratively adds constraints to a continuous relaxation of the problem until an integral solution is found. We evaluate our new end-to-end approach on several real world domains and show that it outperforms the standard two phase approaches that treat prediction and prescription separately, as well as a baseline approach of simply applying decision-focused learning to the LP relaxation of the MIP.
A serious challenge when finding influential actors in real-world social networks is the lack of knowledge about the structure of the underlying network. Current state-of-the-art methods rely on hand-crafted sampling algorithms; these methods sample nodes and their neighbours in a carefully constructed order and choose opinion leaders from this discovered network to maximize influence spread in the (unknown) complete network. In this work, we propose a reinforcement learning framework for network discovery that automatically learns useful node and graph representations that encode important structural properties of the network. At training time, the method identifies portions of the network such that the nodes selected from this sampled subgraph can effectively influence nodes in the complete network. The realization of such transferable network structure based adaptable policies is attributed to the meticulous design of the framework that encodes relevant node and graph signatures driven by an appropriate reward scheme. We experiment with real-world social networks from four different domains and show that the policies learned by our RL agent provide a 10-36% improvement over the current state-of-the-art method.
Real-world applications often combine learning and optimization problems on graphs. For instance, our objective may be to cluster the graph in order to detect meaningful communities (or solve other common graph optimization problems such as facility location, maxcut, and so on). However, graphs or related attributes are often only partially observed, introducing learning problems such as link prediction which must be solved prior to optimization. We propose an approach to integrate a differentiable proxy for common graph optimization problems into training of machine learning models for tasks such as link prediction. This allows the model to focus specifically on the downstream task that its predictions will be used for. Experimental results show that our end-to-end system obtains better performance on example optimization tasks than can be obtained by combining state of the art link prediction methods with expert-designed graph optimization algorithms.