Combinatorial optimization (CO) is the workhorse of numerous important applications in operations research, engineering and other fields and, thus, has been attracting enormous attention from the research community for over a century. Many efficient solutions to common problems involve using hand-crafted heuristics to sequentially construct a solution. Therefore, it is intriguing to see how a combinatorial optimization problem can be formulated as a sequential decision making process and whether efficient heuristics can be implicitly learned by a reinforcement learning agent to find a solution. This survey explores the synergy between CO and reinforcement learning (RL) framework, which can become a promising direction for solving combinatorial problems.

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely focused on the architecture of neural networks, where it has relied on sophisticated expert-designed layers as building blocks---or similarly restrictive search spaces. Our goal is to show that AutoML can go further: it is possible today to automatically discover complete machine learning algorithms just using basic mathematical operations as building blocks. We demonstrate this by introducing a novel framework that significantly reduces human bias through a generic search space. Despite the vastness of this space, evolutionary search can still discover two-layer neural networks trained by backpropagation. These simple neural networks can then be surpassed by evolving directly on tasks of interest, e.g. CIFAR-10 variants, where modern techniques emerge in the top algorithms, such as bilinear interactions, normalized gradients, and weight averaging. Moreover, evolution adapts algorithms to different task types: e.g., dropout-like techniques appear when little data is available. We believe these preliminary successes in discovering machine learning algorithms from scratch indicate a promising new direction for the field.

Scalable real-time assortment optimization has become essential in e-commerce operations due to the need for personalization and the availability of a large variety of items. While this can be done when there are simplistic assortment choices to be made, imposing constraints on the collection of feasible assortments gives more flexibility to incorporate insights of store-managers and historically well-performing assortments. We design fast and flexible algorithms based on variations of binary search that find the revenue of the (approximately) optimal assortment. In particular, we revisit the problem of large-scale assortment optimization under the multinomial logit choice model without any assumptions on the structure of the feasible assortments. We speed up the comparisons steps using novel vector space embeddings, based on advances in the fields of information retrieval and machine learning. For an arbitrary collection of assortments, our algorithms can find a solution in time that is sub-linear in the number of assortments and for the simpler case of cardinality constraints - linear in the number of items (existing methods are quadratic or worse). Empirical validations using the Billion Prices dataset and several retail transaction datasets show that our algorithms are competitive even when the number of items is $\sim 10^5$ ($100$x larger instances than previously studied).

We look at whether machine learning can predict the final objective function value of a difficult combinatorial optimisation problem from the input. Our context is the pattern reduction problem, one industrially important but difficult aspect of the cutting stock problem. Machine learning appears to have higher prediction accuracy than a na\"ive model, reducing mean absolute percentage error (MAPE) from 12.0% to 8.7%.

The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limited fraction of the entire reaction space. At present, emerging machine-learning technologies are overturning the process of retrosynthetic planning. The objective of this study is to discover synthetic routes backwardly from a given desired molecule to commercially available compounds. The problem is reduced to a combinatorial optimization task with the solution space subject to the combinatorial complexity of all possible pairs of purchasable reactants. We address this issue within the framework of Bayesian inference and computation. The workflow consists of two steps: a deep neural network is trained that forwardly predicts a product of the given reactants with a high level of accuracy, following which this forward model is inverted into the backward one via Bayes' law of conditional probability. Using the backward model, a diverse set of highly probable reaction sequences ending with a given synthetic target is exhaustively explored using a Monte Carlo search algorithm. The Bayesian retrosynthesis algorithm could successfully rediscover 80.3% and 50.0% of known synthetic routes of single-step and two-step reactions within top-10 accuracy, respectively, thereby outperforming state-of-the-art algorithms in terms of the overall accuracy. Remarkably, the Monte Carlo method, which was specifically designed for the presence of diverse multiple routes, often revealed a ranked list of hundreds of reaction routes to the same synthetic target. We investigated the potential applicability of such diverse candidates based on expert knowledge from synthetic organic chemistry.

We consider the problem of searching for an unknown target vertex $t$ in a (possibly edge-weighted) graph. Each \emph{vertex-query} points to a vertex $v$ and the response either admits $v$ is the target or provides any neighbor $s\not=v$ that lies on a shortest path from $v$ to $t$. This model has been introduced for trees by Onak and Parys [FOCS 2006] and for general graphs by Emamjomeh-Zadeh et al. [STOC 2016]. In the latter, the authors provide algorithms for the error-less case and for the independent noise model (where each query independently receives an erroneous answer with known probability $p<1/2$ and a correct one with probability $1-p$). We study this problem in both adversarial errors and independent noise models. First, we show an algorithm that needs $\frac{\log_2 n}{1 - H(r)}$ queries against \emph{adversarial} errors, where adversary is bounded with its rate of errors by a known constant $r<1/2$. Our algorithm is in fact a simplification of previous work, and our refinement lies in invoking amortization argument. We then show that our algorithm coupled with Chernoff bound argument leads to an algorithm for independent noise that is simpler and with a query complexity that is both simpler and asymptotically better to one of Emamjomeh-Zadeh et al. [STOC 2016]. Our approach has a wide range of applications. First, it improves and simplifies Robust Interactive Learning framework proposed by Emamjomeh-Zadeh et al. [NIPS 2017]. Secondly, performing analogous analysis for \emph{edge-queries} (where query to edge $e$ returns its endpoint that is closer to target) we actually recover (as a special case) noisy binary search algorithm that is asymptotically optimal, matching the complexity of Feige et al. [SIAM J. Comput. 1994]. Thirdly, we improve and simplify upon existing algorithm for searching of \emph{unbounded} domains due to Aslam and Dhagat [STOC 1991].

We propose the Generalized Policy Elimination (GPE) algorithm, an oracle-efficient contextual bandit (CB) algorithm inspired by the Policy Elimination algorithm of \cite{dudik2011}. We prove the first regret optimality guarantee theorem for an oracle-efficient CB algorithm competing against a nonparametric class with infinite VC-dimension. Specifically, we show that GPE is regret-optimal (up to logarithmic factors) for policy classes with integrable entropy. For classes with larger entropy, we show that the core techniques used to analyze GPE can be used to design an $\varepsilon$-greedy algorithm with regret bound matching that of the best algorithms to date. We illustrate the applicability of our algorithms and theorems with examples of large nonparametric policy classes, for which the relevant optimization oracles can be efficiently implemented.

We consider the problem faced by a recommender system which seeks to offer a user with unknown preferences an item. Before making a recommendation, the system has the opportunity to elicit the user's preferences by making queries. Each query corresponds to a pairwise comparison between items. We take the point of view of either a risk averse or regret averse recommender system which only possess set-based information on the user utility function. We investigate: a) an offline elicitation setting, where all queries are made at once, and b) an online elicitation setting, where queries are selected sequentially over time. We propose exact robust optimization formulations of these problems which integrate the elicitation and recommendation phases and study the complexity of these problems. For the offline case, where the problem takes the form of a two-stage robust optimization problem with decision-dependent information discovery, we provide an enumeration-based algorithm and also an equivalent reformulation in the form of a mixed-binary linear program which we solve via column-and-constraint generation. For the online setting, where the problem takes the form of a multi-stage robust optimization problem with decision-dependent information discovery, we propose a conservative solution approach. We evaluate the performance of our methods on both synthetic data and real data from the Homeless Management Information System. We simulate elicitation of the preferences of policy-makers in terms of characteristics of housing allocation policies to better match individuals experiencing homelessness to scarce housing resources. Our framework is shown to outperform the state-of-the-art techniques from the literature.

The emergence of specialized optimization hardware such as CMOS annealers and adiabatic quantum computers carries the promise of solving hard combinatorial optimization problems more efficiently in hardware. Recent work has focused on formulating different combinatorial optimization problems as Ising models, the core mathematical abstraction used by a large number of these hardware platforms, and evaluating the performance of these models when solved on specialized hardware. An interesting area of application is data mining, where combinatorial optimization problems underlie many core tasks. In this work, we focus on consensus clustering (clustering aggregation), an important combinatorial problem that has received much attention over the last two decades. We present two Ising models for consensus clustering and evaluate them using the Fujitsu Digital Annealer, a quantum-inspired CMOS annealer. Our empirical evaluation shows that our approach outperforms existing techniques and is a promising direction for future research.

Thompson sampling is one of the most widely used algorithms for many online decision problems, due to its simplicity in implementation and superior empirical performance over other state-of-the-art methods. Despite its popularity and empirical success, it has remained an open problem whether Thompson sampling can achieve the minimax optimal regret $O(\sqrt{KT})$ for $K$-armed bandit problems, where $T$ is the total time horizon. In this paper, we solve this long open problem by proposing a new Thompson sampling algorithm called MOTS that adaptively truncates the sampling result of the chosen arm at each time step. We prove that this simple variant of Thompson sampling achieves the minimax optimal regret bound $O(\sqrt{KT})$ for finite time horizon $T$ and also the asymptotic optimal regret bound when $T$ grows to infinity as well. This is the first time that the minimax optimality of multi-armed bandit problems has been attained by Thompson sampling type of algorithms.