Two-stage submodular maximization problem beyond nonnegative and monotone

We consider a two-stage submodular maximization problem subject to a cardinality constraint and k matroid constraints, where the objective function is the expected difference of a nonnegative monotone submodular function and a nonnegative monotone modular function. We give two bi-factor approximation algorithms for this problem. The first is a deterministic $\left( {{1 \over {k + 1}}\left( {1 - {1 \over {{e^{k + 1}}}}} \right),1} \right)$ -approximation algorithm, and the second is a randomized $\left( {{1 \over {k + 1}}\left( {1 - {1 \over {{e^{k + 1}}}}} \right) - \varepsilon ,1} \right)$ -approximation algorithm with improved time efficiency.

The Power of Subsampling in Submodular Maximization

We propose subsampling as a unified algorithmic technique for submodular maximization in centralized and online settings. The idea is simple: independently sample elements from the ground set and use simple combinatorial techniques (such as greedy or local search) on these sampled elements. We show that this approach leads to optimal/state-of-the-art results despite being much simpler than existing methods. In the usual off-line setting, we present SampleGreedy, which obtains a [Formula: see text]-approximation for maximizing a submodular function subject to a p-extendible system using [Formula: see text] evaluation and feasibility queries, where k is the size of the largest feasible set. The approximation ratio improves to p + 1 and p for monotone submodular and linear objectives, respectively. In the streaming setting, we present Sample-Streaming, which obtains a [Formula: see text]-approximation for maximizing a submodular function subject to a p-matchoid using O(k) memory and [Formula: see text] evaluation and feasibility queries per element, and m is the number of matroids defining the p-matchoid. The approximation ratio improves to 4p for monotone submodular objectives. We empirically demonstrate the effectiveness of our algorithms on video summarization, location summarization, and movie recommendation tasks.

SubMo-GNN: Property- and Structure-Aware Diverse Molecular Selection with Representation Learning and Mathematical Diverse-Selection Framework

Selecting diverse molecules from unexplored areas of chemical space is one of the most important tasks for discovering novel molecules and reactions. This paper develops a new method for selecting a diverse subset of molecules from a given molecular list by utilizing two techniques studied in machine learning and mathematical optimization: graph neural networks (GNNs) for learning vector representation of molecules and a diverse-selection framework called submodular function maximization. Our method first trains a GNN with property prediction tasks, and then the trained GNN transforms molecular graphs into molecular vectors, which capture both properties and structures of molecules. Finally, to obtain a diverse subset of molecules, we define a submodular function, which quantifies the diversity of molecular vectors, and find a subset of molecular vectors with a large submodular function value. This can be done efficiently by using the greedy algorithm, and the diversity of selected molecules measured by the submodular function value is mathematically guaranteed to be at least 63 % of that of an optimal selection. We also introduce a new evaluation criterion to measure the diversity of selected molecules based on molecular properties. Computational experiments confirm that our method successfully selects diverse molecules from the QM9 dataset regarding the property-based criterion, while performing comparably to existing methods regarding a standard structure-based criterion. The proposed method enables researchers to obtain diverse sets of molecules for discovering new molecules and novel chemical reactions, and the proposed diversity criterion is useful for discussing the diversity of molecular libraries from a new property-based perspective.

Online Risk-Averse Submodular Maximization

We present a polynomial-time online algorithm for maximizing the conditional value at risk (CVaR) of a monotone stochastic submodular function. Given T i.i.d. samples from an underlying distribution arriving online, our algorithm produces a sequence of solutions that converges to a (1−1/e)-approximate solution with a convergence rate of O(T −1/4 ) for monotone continuous DR-submodular functions. Compared with previous offline algorithms, which require Ω(T) space, our online algorithm only requires O( √ T) space. We extend our on- line algorithm to portfolio optimization for mono- tone submodular set functions under a matroid constraint. Experiments conducted on real-world datasets demonstrate that our algorithm can rapidly achieve CVaRs that are comparable to those obtained by existing offline algorithms.

Geometric Rescaling Algorithms for Submodular Function Minimization

We present a new class of polynomial-time algorithms for submodular function minimization (SFM) as well as a unified framework to obtain strongly polynomial SFM algorithms. Our algorithms are based on simple iterative methods for the minimum-norm problem, such as the conditional gradient and Fujishige–Wolfe algorithms. We exhibit two techniques to turn simple iterative methods into polynomial-time algorithms. First, we adapt the geometric rescaling technique, which has recently gained attention in linear programming, to SFM and obtain a weakly polynomial bound [Formula: see text]. Second, we exhibit a general combinatorial black box approach to turn [Formula: see text]-approximate SFM oracles into strongly polynomial exact SFM algorithms. This framework can be applied to a wide range of combinatorial and continuous algorithms, including pseudo-polynomial ones. In particular, we can obtain strongly polynomial algorithms by a repeated application of the conditional gradient or of the Fujishige–Wolfe algorithm. Combined with the geometric rescaling technique, the black box approach provides an [Formula: see text] algorithm. Finally, we show that one of the techniques we develop in the paper can also be combined with the cutting-plane method of Lee et al., yielding a simplified variant of their [Formula: see text] algorithm.