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We propose a hierarchical normalizing flow model for generating molecular graphs. The model produces new molecular structures from a single-node graph by recursively splitting every node into two. All operations are invertible and can be…

Chemical Physics · Physics 2021-06-11 Maksim Kuznetsov , Daniil Polykovskiy

We propose DFModel, a modeling framework for mapping dataflow computation graphs onto large-scale systems. Mapping a workload to a system requires optimizing dataflow mappings at various levels, including the inter-chip (between chips)…

Hardware Architecture · Computer Science 2024-12-24 Sho Ko , Nathan Zhang , Olivia Hsu , Ardavan Pedram , Kunle Olukotun

We present a general method to convert algorithms into faster algorithms for almost-regular input instances. Informally, an almost-regular input is an input in which the maximum degree is larger than the average degree by at most a constant…

Data Structures and Algorithms · Computer Science 2022-11-22 Or Zamir

Dataflow computing was shown to bring significant benefits to multiple niches of systems engineering and has the potential to become a general-purpose paradigm of choice for data-driven application development. One of the characteristic…

Software Engineering · Computer Science 2023-04-25 Andrei Paleyes , Neil D. Lawrence

We introduce the computational problem of graphlet transform of a sparse large graph. Graphlets are fundamental topology elements of all graphs/networks. They can be used as coding elements to encode graph-topological information at…

Social and Information Networks · Computer Science 2020-09-02 Dimitris Floros , Nikos Pitsianis , Xiaobai Sun

While deep learning excels in natural image and language processing, its application to high-dimensional data faces computational challenges due to the dimensionality curse. Current large-scale data tools focus on business-oriented…

Machine Learning · Computer Science 2025-07-01 Chen Zhang

An increasing number of researchers are finding use for nth-order gradient computations for a wide variety of applications, including graphics, meta-learning (MAML), scientific computing, and most recently, implicit neural representations…

Hardware Architecture · Computer Science 2025-10-27 Stefan Abi-Karam , Rishov Sarkar , Dejia Xu , Zhiwen Fan , Zhangyang Wang , Cong Hao

Algorithmicists are well-aware that fast dynamic programming algorithms are very often the correct choice when computing on compositional (or even recursive) graphs. Here we initiate the study of how to generalize this folklore intuition to…

Computational Complexity · Computer Science 2023-10-05 Ernst Althaus , Benjamin Merlin Bumpus , James Fairbanks , Daniel Rosiak

Binary classification problems can be naturally modeled as bipartite graphs, where we attempt to classify right nodes based on their left adjacencies. We consider the case of labeled bipartite graphs in which some labels and edges are not…

Combinatorics · Mathematics 2018-11-13 R. W. R. Darling , Mark L. Velednitsky

Graph rewriting is a popular tool for the optimisation and modification of graph expressions in domains such as compilers, machine learning and quantum computing. The underlying data structures are often port graphs - graphs with labels at…

Data Structures and Algorithms · Computer Science 2025-03-27 Luca Mondada , Pablo Andrés-Martínez

Optimizing embedded systems, where the optimization of one depends on the state of another, is a formidable computational and algorithmic challenge, that is ubiquitous in real world systems. We study flow networks, where bilevel…

Optimization and Control · Mathematics 2022-11-09 Bo Li , David Saad , Chi Ho Yeung

Recent advances in data collection and storage have allowed both researchers and industry alike to collect data in real time. Much of this data comes in the form of 'events', or timestamped interactions, such as email and social media…

Social and Information Networks · Computer Science 2019-08-29 Andrew Mellor

Owing to their versatility, graph structures admit representations of intricate relationships between the separate entities comprising the data. We formalise the notion of connection between two vertex sets in terms of edge and vertex…

Machine Learning · Computer Science 2022-08-23 Peter Belcak , Roger Wattenhofer

We introduce a framework that represents a dynamic program as a family of operators acting on a partially ordered set. We provide an optimality theory based only on order-theoretic assumptions and show how applications across almost all…

Optimization and Control · Mathematics 2025-01-07 Thomas J. Sargent , John Stachurski

Partitioning a graph into blocks of "roughly equal" weight while cutting only few edges is a fundamental problem in computer science with a wide range of applications. In particular, the problem is a building block in applications that…

Data Structures and Algorithms · Computer Science 2021-05-06 Lars Gottesbüren , Tobias Heuer , Peter Sanders , Christian Schulz , Daniel Seemaier

Graphs are common mathematical structures that are visual and intuitive. They constitute a natural and seamless way for system modelling in science, engineering and beyond, including computer science, biology, business process modelling,…

Formal Languages and Automata Theory · Computer Science 2020-12-03 Berthold Hoffmann , Mark Minas

We propose geometrical methods for constructing square 01-matrices with the same number n of units in every row and column, and such that any two rows of the matrix contain at most one unit in common. These matrices are equivalent to…

Combinatorics · Mathematics 2009-10-01 Alexander A. Davydov , Massimo Giulietti , Stefano Marcugini , Fernanda Pambianco

We propose a general multi-class visual recognition model, termed the Classifier Graph, which aims to generalize and integrate ideas from many of today's successful hierarchical recognition approaches. Our graph-based model has the…

Computer Vision and Pattern Recognition · Computer Science 2014-04-11 Marius Leordeanu , Rahul Sukthankar

Source code spends most of its time in a broken or incomplete state during software development. This presents a challenge to machine learning for code, since high-performing models typically rely on graph structured representations of…

Machine Learning · Computer Science 2021-06-01 Xuechen Li , Chris J. Maddison , Daniel Tarlow

In this paper, we study linear programming based approaches to the maximum matching problem in the semi-streaming model. The semi-streaming model has gained attention as a model for processing massive graphs as the importance of such graphs…

Data Structures and Algorithms · Computer Science 2015-03-19 Kook Jin Ahn , Sudipto Guha