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EASAL (Efficient Atlasing and Sampling of Assembly Landscapes) is a geometric method for sampling and computing integrals over the potential energy landscape of small molecular assemblies. EASAL's efficiency arises from the fact that small…

Chemical Physics · Physics 2020-07-16 Aysegul Ozkan , Jose C. Flores-Canales , Rahul Prabhu , Meera Sitharam , Maria Kurnikova

In this work we propose Lasagne, a methodology to learn locality and structure aware graph node embeddings in an unsupervised way. In particular, we show that the performance of existing random-walk based approaches depends strongly on the…

Social and Information Networks · Computer Science 2017-10-19 Evgeniy Faerman , Felix Borutta , Kimon Fountoulakis , Michael W. Mahoney

We describe an effective landscape introduced in [1] for the analysis of Constraint Satisfaction problems, such as Sphere Packing, K-SAT and Graph Coloring. This geometric construction reexpresses these problems in the more familiar terms…

Quantum Physics · Physics 2008-09-25 Florent Krzakala , Jorge Kurchan

Artificial intelligence is essential to succeed in challenging activities that involve dynamic environments, such as object manipulation tasks in indoor scenes. Most of the state-of-the-art literature explores robotic grasping methods by…

Robotics · Computer Science 2019-05-28 Paola Ardón , Èric Pairet , Ron Petrick , Subramanian Ramamoorthy , Katrin Lohan

Node-link diagrams are widely used to visualize graphs. Most graph layout algorithms only use graph topology for aesthetic goals (e.g., minimize node occlusions and edge crossings) or use node attributes for exploration goals (e.g.,…

Data Structures and Algorithms · Computer Science 2023-01-20 Leixian Shen , Zhiwei Tai , Enya Shen , Jianmin Wang

Ecosystems are among the most interesting and well-studied examples of self-organized complex systems. Community ecology, the study of how species interact with each other and the environment, has a rich tradition. Over the last few years,…

Populations and Evolution · Quantitative Biology 2024-03-11 Wenping Cui , Robert Marsland , Pankaj Mehta

Approximate Nearest Neighbor Search with arbitrary filtering predicates (AFANNS) is essential for modern data applications, yet existing methods often incur substantial storage and computational costs. In this work, we introduce the Maximal…

Databases · Computer Science 2026-04-27 Xiaowei Ye , Rong-Hua Li , Guoren Wang , Kaiwen Xue , Daiyin Wang , Xubin Li

Selecting a solution algorithm for the Facility Layout Problem (FLP), an NP-hard optimization problem with multiobjective trade-off, is a complex task that requires deep expert knowledge. The performance of a given algorithm depends on the…

Information Retrieval · Computer Science 2025-12-17 Nikhil N S , Bilal Muhammed , Soban Babu Beemaraj , Amol Dilip Joshi

This paper combines the idea of a hierarchical distributed genetic algorithm with different inter-agent partnering strategies. Cascading clusters of sub-populations are built from bottom up, with higher-level sub-populations optimising…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Uwe Aickelin , Larry Bull

Generative art is a rules-driven approach to creating artistic outputs in various mediums. For example, a fluid simulation can govern the flow of colored pixels across a digital display or a rectangle placement algorithm can yield a…

Neural and Evolutionary Computing · Computer Science 2024-07-30 Erik M. Fredericks , Denton Bobeldyk , Jared M. Moore

Personalized community detection aims to generate communities associated with user need on graphs, which benefits many downstream tasks such as node recommendation and link prediction for users, etc. It is of great importance but lack of…

Information Retrieval · Computer Science 2020-09-08 Zheng Gao , Chun Guo , Xiaozhong Liu

Graph embeddings learn the structure of networks and represent it in low-dimensional vector spaces. Community structure is one of the features that are recognized and reproduced by embeddings. We show that an iterative procedure, in which a…

Physics and Society · Physics 2024-07-30 Bianka Kovács , Sadamori Kojaku , Gergely Palla , Santo Fortunato

With the recent advances in complex networks theory, graph-based techniques for image segmentation has attracted great attention recently. In order to segment the image into meaningful connected components, this paper proposes an image…

Computer Vision and Pattern Recognition · Computer Science 2019-07-12 Youssef Mourchid , Mohammed El Hassouni , Hocine Cherifi

Graph-based representations such as Scene Graphs enable localization in structured indoor environments by matching a locally observed graph, constructed from sensor data, to a prior map. This process is particularly challenging in…

Large tree structures are ubiquitous and real-world relational datasets often have information associated with nodes (e.g., labels or other attributes) and edges (e.g., weights or distances) that need to be communicated to the viewers. Yet,…

Computational Geometry · Computer Science 2023-05-18 Kathryn Gray , Mingwei Li , Reyan Ahmed , Md. Khaledur Rahman , Ariful Azad , Stephen Kobourov , Katy Börner

Real-world Knowledge Graphs (KGs) often suffer from incompleteness, which limits their potential performance. Knowledge Graph Completion (KGC) techniques aim to address this issue. However, traditional KGC methods are computationally…

Computation and Language · Computer Science 2023-11-03 Alla Chepurova , Aydar Bulatov , Yuri Kuratov , Mikhail Burtsev

Within the optimization community, the question of how to generate new optimization problems has been gaining traction in recent years. Within topics such as instance space analysis (ISA), the generation of new problems can provide new…

Neural and Evolutionary Computing · Computer Science 2023-05-25 Fu Xing Long , Diederick Vermetten , Anna V. Kononova , Roman Kalkreuth , Kaifeng Yang , Thomas Bäck , Niki van Stein

In complex networks it is common for each node to belong to several communities, implying a highly overlapping community structure. Recent advances in benchmarking indicate that existing community assignment algorithms that are capable of…

Data Analysis, Statistics and Probability · Physics 2015-03-13 Conrad Lee , Fergal Reid , Aaron McDaid , Neil Hurley

Graph-structured data is central to many scientific and industrial domains, where the goal is often to optimize objectives defined over graph structures. Given the combinatorial complexity of graph spaces, such optimization problems are…

Optimization and Control · Mathematics 2025-09-25 Shiqiang Zhang , Ruth Misener

Reasoning about object affordances allows an autonomous agent to perform generalised manipulation tasks among object instances. While current approaches to grasp affordance estimation are effective, they are limited to a single hypothesis.…