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Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Ordered Binary Decision Diagrams (OBDDs) are a data structure that is used in an increasing number of fields of Computer Science (e.g., logic synthesis, program verification, data mining, bioinformatics, and data protection) for…

Data Structures and Algorithms · Computer Science 2015-02-05 Anna Bernasconi , Valentina Ciriani , Lorenzo Lago

We consider the compilation of a binary neural network's decision function into tractable representations such as Ordered Binary Decision Diagrams (OBDDs) and Sentential Decision Diagrams (SDDs). Obtaining this function as an OBDD/SDD…

Machine Learning · Computer Science 2020-07-06 Weijia Shi , Andy Shih , Adnan Darwiche , Arthur Choi

We consider Quantum OBDD model. It is restricted version of read-once Quantum Branching Programs, with respect to "width" complexity. It is known that maximal complexity gap between deterministic and quantum model is exponential. But there…

Computational Complexity · Computer Science 2024-04-02 Kamil Khadiev , Aliya Khadieva

Understanding the characteristics of neural networks is important but difficult due to their complex structures and behaviors. Some previous work proposes to transform neural networks into equivalent Boolean expressions and apply…

Machine Learning · Computer Science 2023-06-09 Yiping Tang , Kohei Hatano , Eiji Takimoto

We explore training Binary Neural Networks (BNNs) as a discrete variable inference problem over a factor graph. We study the behaviour of this conversion in an under-parameterized BNN setting and propose stochastic versions of Belief…

Machine Learning · Computer Science 2022-04-06 Amir Khoshaman , Giuseppe Castiglione , Christopher Srinivasa

For three decades binary decision diagrams, a data structure efficiently representing Boolean functions, have been widely used in many distinct contexts like model verification, machine learning, cryptography and also resolution of…

Data Structures and Algorithms · Computer Science 2023-07-06 Julien Clément , Antoine Genitrini

We propose a query learning algorithm for ordered multi-terminal binary decision diagrams (OMTBDDs) using at most n equivalence and 2n(l\lcei\log_2 m\rceil+ 3n) membership queries by extending the algorithm for ordered binary decision…

Machine Learning · Computer Science 2023-03-07 Atsuyoshi Nakamura

OBDD-based graph algorithms deal with the characteristic function of the edge set E of a graph $G = (V,E)$ which is represented by an OBDD and solve optimization problems by mainly using functional operations. We present an OBDD-based…

Data Structures and Algorithms · Computer Science 2015-04-16 Marc Bury

Hypergraphs offer a generalized framework for capturing high-order relationships between entities and have been widely applied in various domains, including healthcare, social networks, and bioinformatics. Hypergraph neural networks, which…

Machine Learning · Computer Science 2025-12-03 Akash Choudhuri , Yongjian Zhong , Bijaya Adhikari

Decision diagrams for classification have some notable advantages over decision trees, as their internal connections can be determined at training time and their width is not bound to grow exponentially with their depth. Accordingly,…

Machine Learning · Computer Science 2022-05-31 Alexandre M. Florio , Pedro Martins , Maximilian Schiffer , Thiago Serra , Thibaut Vidal

A classical question of propositional logic is one of the shortest proof of a tautology. A related fundamental problem is to determine the relative efficiency of standard proof systems, where the relative complexity is measured using the…

Logic in Computer Science · Computer Science 2017-03-21 Olga Tveretina

Complex real-world optimization problems often involve both discrete decisions and nonlinear relationships between variables. Many such problems can be modeled as polynomial-objective integer programs, encompassing cases with quadratic and…

Neural and Evolutionary Computing · Computer Science 2026-03-23 Minshuo Li , Yaoxin Wu , Pavel Troubil , Yingqian Zhang , Wim P. M. Nuijten

Deep neural networks are a family of computational models that are naturally suited to the analysis of hierarchical data such as, for instance, sequential data with the use of recurrent neural networks. In the other hand, ordinal regression…

Machine Learning · Statistics 2021-01-08 Louis Falissard , Karim Bounebache , Grégoire Rey

Dynamic graph learning (DGL) aims to learn informative and temporally-evolving node embeddings to support downstream tasks such as link prediction. A fundamental challenge in DGL lies in effectively modeling both the temporal dynamics and…

Social and Information Networks · Computer Science 2025-06-10 Ling Wang

Hypergraph neural networks (HNNs) using neural networks to encode hypergraphs provide a promising way to model higher-order relations in data and further solve relevant prediction tasks built upon such higher-order relations. However,…

Machine Learning · Computer Science 2023-02-16 Peihao Wang , Shenghao Yang , Yunyu Liu , Zhangyang Wang , Pan Li

Temporal Graph Neural Networks (TGNNs) have gained growing attention for modeling and predicting structures in temporal graphs. However, existing TGNNs primarily focus on pairwise interactions while overlooking higher-order structures that…

Machine Learning · Computer Science 2025-05-22 Jingzhe Liu , Zhigang Hua , Yan Xie , Bingheng Li , Harry Shomer , Yu Song , Kaveh Hassani , Jiliang Tang

Dynamical systems on hypergraphs can display a rich set of behaviours not observable for systems with pairwise interactions. Given a distributed dynamical system with a putative hypergraph structure, an interesting question is thus how much…

Machine Learning · Computer Science 2023-06-06 Leonie Neuhäuser , Michael Scholkemper , Francesco Tudisco , Michael T. Schaub

Intersection graphs are well-studied in the area of graph algorithms. Some intersection graph classes are known to have algorithms enumerating all unlabeled graphs by reverse search. Since these algorithms output graphs one by one and the…

Data Structures and Algorithms · Computer Science 2022-12-15 Jun Kawahara , Toshiki Saitoh , Hirokazu Takeda , Ryo Yoshinaka , Yui Yoshioka

Domain shift remains a key challenge in deploying machine learning models to the real world. Unsupervised domain adaptation (UDA) aims to address this by minimising domain discrepancy during training, but the discrepancy estimates suffer…

Machine Learning · Computer Science 2026-05-07 Andrea Napoli , Paul White
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