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11 papers · ranked by Valyu relevance
Daniel O’Malley, Velimir V. Vesselinov, Boian S. Alexandrov, Ludmil B. Alexandrov + 1 more
'Ludmil B. Alexandrov' 'Ivan Olier'] D-Wave quantum annealers represent a novel computational architecture and have attracted significant interest. Much of this interest has focused on the quantum behavior of D-Wave machines, and there have been few practical algorithms that use the D-Wave. Machine learning has been…
Osman Asif Malik, Hayato Ushijima-Mwesigwa, Arnab Roy, Avradip Mandal + 2 more
Many fundamental problems in data mining can be reduced to one or more NP-hard combinatorial optimization problems. Recent advances in novel technologies such as quantum and quantum-inspired hardware promise a substantial speedup for solving these problems compared to when using general purpose computers but often…
Yukino Terui, Yuka Inoue, Yohei Hamakawa, Kosuke Tatsumura + 1 more
'Kazue Kudo'] Collaborative filtering generates recommendations by exploiting user-item similarities based on rating data, which often contains numerous unrated items. To predict scores for unrated items, matrix factorization techniques such as nonnegative matrix factorization (NMF) are often employed.…
Elijah Pelofske, Georg Hahn, Daniel O’Malley, Hristo N. Djidjev + 1 more
'Boian S. Alexandrov'] Quantum annealers manufactured by D-Wave Systems, Inc., are computational devices capable of finding high-quality heuristic solutions of NP-hard problems. In this contribution, we explore the potential and effectiveness of such quantum annealers for computing Boolean tensor networks. Tensors…
Amra Omanović, Hilal Kazan, Polona Oblak, Tomaž Curk
Background Matrix factorization methods are linear models, with limited capability to model complex relations. In our work, we use tropical semiring to introduce non-linearity into matrix factorization models. We propose a method called Sparse Tropical Matrix Factorization (STMF) for the estimation of missing (unknown)…
Miaoyan Wang, Lexin Li
We consider the problem of decomposing a higher-order tensor with binary entries. Such data problems arise frequently in applications such as neuroimaging, recommendation system, topic modeling, and sensor network localization. We propose a multilinear Bernoulli model, develop a rank-constrained likelihood-based…
Diba Behnoudfar, Cory Simon, Joshua Schrier
Aqueous, two-phase systems (ATPSs) may form upon mixing two solutions of independently water-soluble compounds. Many separation, purification, and extraction processes rely on ATPSs. Predicting the miscibility of solutions can accelerate and reduce the cost of the discovery of new ATPSs for these applications. Whereas…
He-Ming Chu, Jin-Xing Liu, Ke Zhang, Chun-Hou Zheng + 2 more
'Xiang-Zhen Kong'] Biclustering algorithm is an effective tool for processing gene expression datasets. There are two kinds of data matrices, binary data and non-binary data, which are processed by biclustering method. A binary matrix is usually converted from pre-processed gene expression data, which can effectively…
Arni Sturluson, Ali Raza, Grant D. McConachie, Daniel Siderius + 2 more
Nanoporous materials (NPMs) selectively adsorb and concentrate gases into their pores, and thus could be used to store, capture, and sense many different gases. Modularly synthesized classes of NPMs, such as covalent organic frameworks (COFs), offer a large number of candidate structures for each adsorption task. A…
Simon Viet Johansson, Hampus Gummesson Svensson, Esben Bjerrum, Alexander Schliep + 3 more
Computer aided synthesis planning is a rapidly growing field for suggesting synthetic routes for molecules of interest. The methods used are usually dependent on access to large datasets for training, but with a finite experimental budget there are limitations on how much data can be obtained from experiments. Active…
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Real-world datasets in chemical engineering and bioengineering processes--such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials--can often be unlabelled or disorganized, rendering the training of existing supervised learning models ineffective at learning the…