Applying Bayesian optimization in problems wherein the search space is unknown is challenging. To address this problem, we propose a systematic volume expansion strategy for the Bayesian optimization. We devise a strategy to guarantee that in iterative expansions of the search space, our method can find a point whose function value within epsilon of the objective function maximum. Without the need to specify any parameters, our algorithm automatically triggers a minimal expansion required iteratively. We derive analytic expressions for when to trigger the expansion and by how much to expand.

We propose a neural architecture search (NAS) algorithm, Petridish, to iteratively add shortcut connections to existing network layers. The added shortcut connections effectively perform gradient boosting on the augmented layers. The proposed algorithm is motivated by the feature selection algorithm forward stage-wise linear regression, since we consider NAS as a generalization of feature selection for regression, where NAS selects shortcuts among layers instead of selecting features. In order to reduce the number of trials of possible connection combinations, we train jointly all possible connections at each stage of growth while leveraging feature selection techniques to choose a subset of them. We experimentally show this process to be an efficient forward architecture search algorithm that can find competitive models using few GPU days in both the search space of repeatable network modules (cell-search) and the space of general networks (macro-search).

Low-rank matrix factorization is a problem of broad importance, owing to the ubiquity of low-rank models in machine learning contexts. In spite of its non- convexity, this problem has a well-behaved geometric landscape, permitting local search algorithms such as gradient descent to converge to global minimizers. In this paper, we study low-rank matrix factorization in the distributed setting, where local variables at each node encode parts of the overall matrix factors, and consensus is encouraged among certain such variables. We identify conditions under which this new problem also has a well-behaved geometric landscape, and we propose an extension of distributed gradient descent (DGD) to solve this problem. The favorable landscape allows us to prove convergence to global optimality with exact consensus, a stronger result than what is provided by off-the-shelf DGD theory. Papers published at the Neural Information Processing Systems Conference.

We investigate the use of relaxed decision diagrams (DDs) for computing admissible heuristics for the cost-optimal delete-free planning (DFP) problem. Our main contributions are the introduction of two novel DD encodings for a DFP task: a multivalued decision diagram that includes the sequencing aspect of the problem and a binary decision diagram representation of its sequential relaxation. We present construction algorithms for each DD that leverage these different perspectives of the DFP task and provide theoretical and empirical analyses of the associated heuristics. We further show that relaxed DDs can be used beyond heuristic computation to extract delete-free plans, find action landmarks, and identify redundant actions. Our empirical analysis shows that while DD-based heuristics trail the state of the art, even small relaxed DDs are competitive with the linear programming heuristic for the DFP task, thus, revealing novel ways of designing admissible heuristics.

We present an approach to learn SAT solver heuristics from scratch through deep reinforcement learning with a curriculum. In particular, we incorporate a graph neural network in a stochastic local search algorithm to act as the variable selection heuristic. We consider Boolean satisfiability problems from different classes and learn specialized heuristics for each class. Although we do not aim to compete with the state-of-the-art SAT solvers in run time, we demonstrate that the learned heuristics allow us to find satisfying assignments in fewer steps compared to a generic heuristic, and we provide analysis of our results through experiments. Papers published at the Neural Information Processing Systems Conference.

Search techniques, such as Monte Carlo Tree Search (MCTS) and Proof-Number Search (PNS), are effective in playing and solving games. However, the understanding of their performance in industrial applications is still limited. We investigate MCTS and Depth-First Proof-Number (DFPN) Search, a PNS variant, in the domain of Retrosynthetic Analysis (RA). We find that DFPN's strengths, that justify its success in games, have limited value in RA, and that an enhanced MCTS variant by Segler et al. significantly outperforms DFPN. We address this disadvantage of DFPN in RA with a novel approach to combine DFPN with Heuristic Edge Initialization.

Search-based methods for hard combinatorial optimization are often guided by heuristics. Tuning heuristics in various conditions and situations is often time-consuming. In this paper, we propose NeuRewriter that learns a policy to pick heuristics and rewrite the local components of the current solution to iteratively improve it until convergence. The policy factorizes into a region-picking and a rule-picking component, each parameterized by a neural network trained with actor-critic methods in reinforcement learning. NeuRewriter captures the general structure of combinatorial problems and shows strong performance in three versatile tasks: expression simplification, online job scheduling and vehicle routing problems.

Differential privacy has become a widely accepted notion of privacy, leading to the introduction and deployment of numerous privatization mechanisms. However, ensuring the privacy guarantee is an error-prone process, both in designing mechanisms and in implementing those mechanisms. Both types of errors will be greatly reduced, if we have a data-driven approach to verify privacy guarantees, from a black-box access to a mechanism. We pose it as a property estimation problem, and study the fundamental trade-offs involved in the accuracy in estimated privacy guarantees and the number of samples required. We introduce a novel estimator that uses polynomial approximation of a carefully chosen degree to optimally trade-off bias and variance.

A deterministic approximation algorithm is presented for the maximization of non-monotone submodular functions over a ground set of size $n$ subject to cardinality constraint $k$; the algorithm is based upon the idea of interlacing two greedy procedures. The algorithm uses interlaced, thresholded greedy procedures to obtain tight ratio $1/4 - \epsilon$ in $O \left( \frac{n}{\epsilon} \log \left( \frac{k}{\epsilon} \right) \right)$ queries of the objective function, which improves upon both the ratio and the quadratic time complexity of the previously fastest deterministic algorithm for this problem. The algorithm is validated in the context of two applications of non-monotone submodular maximization, on which it outperforms the fastest deterministic and randomized algorithms in prior literature. Papers published at the Neural Information Processing Systems Conference.

In this paper, we study the effects of several Monte Carlo Tree Search (MCTS) modifications for video game testing. Although MCTS modifications are highly studied in game playing, their impacts on finding bugs are blank. We focused on bug finding in our previous study where we introduced synthetic and human-like test goals and we used these test goals in Sarsa and MCTS agents to find bugs. In this study, we extend the MCTS agent with several modifications for game testing purposes. Furthermore, we present a novel tree reuse strategy. We experiment with these modifications by testing them on three testbed games, four levels each, that contain 45 bugs in total. We use the General Video Game Artificial Intelligence (GVG-AI) framework to create the testbed games and collect 427 human tester trajectories using the GVG-AI framework. We analyze the proposed modifications in three parts: we evaluate their effects on bug finding performances of agents, we measure their success under two different computational budgets, and we assess their effects on human-likeness of the human-like agent. Our results show that MCTS modifications improve the bug finding performance of the agents.