Identifying important components or factors in large amounts of noisy data is a key problem in machine learning and data mining. Motivated by a pattern decomposition problem in materials discovery, aimed at discovering new materials for renewable ene
rgy, e.g. for fuel and solar cells, we introduce CombiFD, a framework for factor based pattern decomposition that allows the incorporation of a-priori knowledge as constraints, including complex combinatorial constraints. In addition, we propose a new pattern decomposition algorithm, called AMIQO, based on solving a sequence of (mixed-integer) quadratic programs. Our approach considerably outperforms the state of the art on the materials discovery problem, scaling to larger datasets and recovering more precise and physically meaningful decompositions. We also show the effectiveness of our approach for enforcing background knowledge on other application domains.
Many probabilistic inference tasks involve summations over exponentially large sets. Recently, it has been shown that these problems can be reduced to solving a polynomial number of MAP inference queries for a model augmented with randomly generated
parity constraints. By exploiting a connection with max-likelihood decoding of binary codes, we show that these optimizations are computationally hard. Inspired by iterative message passing decoding algorithms, we propose an Integer Linear Programming (ILP) formulation for the problem, enhanced with new sparsification techniques to improve decoding performance. By solving the ILP through a sequence of LP relaxations, we get both lower and upper bounds on the partition function, which hold with high probability and are much tighter than those obtained with variational methods.
We consider the problem of sampling from solutions defined by a set of hard constraints on a combinatorial space. We propose a new sampling technique that, while enforcing a uniform exploration of the search space, leverages the reasoning power of a
systematic constraint solver in a black-box scheme. We present a series of challenging domains, such as energy barriers and highly asymmetric spaces, that reveal the difficulties introduced by hard constraints. We demonstrate that standard approaches such as Simulated Annealing and Gibbs Sampling are greatly affected, while our new technique can overcome many of these difficulties. Finally, we show that our sampling scheme naturally defines a new approximate model counting technique, which we empirically show to be very accurate on a range of benchmark problems.
In this paper we introduce a class of Markov decision processes that arise as a natural model for many renewable resource allocation problems. Upon extending results from the inventory control literature, we prove that they admit a closed form soluti
on and we show how to exploit this structure to speed up its computation. We consider the application of the proposed framework to several problems arising in very different domains, and as part of the ongoing effort in the emerging field of Computational Sustainability we discuss in detail its application to the Northern Pacific Halibut marine fishery. Our approach is applied to a model based on real world data, obtaining a policy with a guaranteed lower bound on the utility function that is structurally very different from the one currently employed.
