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We introduce an atomistic classifier based on a combination of spectral graph theory and a Voronoi tessellation method. This classifier allows for the discrimination between structures from different minima of a potential energy surface,…

Chemical Physics · Physics 2024-07-19 Andreas Møller Slavensky , Bjørk Hammer

Large language models (LLMs) have recently advanced automatic heuristic design (AHD) for combinatorial optimization (CO), where candidate heuristics are iteratively proposed, evaluated, and refined. Most existing approaches search over…

Artificial Intelligence · Computer Science 2026-05-08 Nguyen Viet Tuan Kiet , Bui Dinh Pham , Dao Van Tung , Tran Cong Dao , Huynh Thi Thanh Binh

Learning abstractions directly from data is a core challenge in robotics. Humans naturally operate at an abstract level, reasoning over high-level subgoals while delegating execution to low-level motor skills -- an ability that enables…

Robotics · Computer Science 2026-03-23 Abhiroop Ajith , Constantinos Chamzas

Generalized planning is about finding plans that solve collections of planning instances, often infinite collections, rather than single instances. Recently it has been shown how to reduce the planning problem for generalized planning to…

Artificial Intelligence · Computer Science 2019-06-03 Blai Bonet , Raquel Fuentetaja , Yolanda E-Martin , Daniel Borrajo

In neural architecture search (NAS), the space of neural network architectures is automatically explored to maximize predictive accuracy for a given task. Despite the success of recent approaches, most existing methods cannot be directly…

Machine Learning · Statistics 2019-02-15 Francesco Paolo Casale , Jonathan Gordon , Nicolo Fusi

Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level…

Machine Learning · Computer Science 2021-08-25 Lanning Wei , Huan Zhao , Quanming Yao , Zhiqiang He

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of…

Machine Learning · Computer Science 2020-12-21 Chris Zhang , Mengye Ren , Raquel Urtasun

Recently, differentiable search methods have made major progress in reducing the computational costs of neural architecture search. However, these approaches often report lower accuracy in evaluating the searched architecture or…

Computer Vision and Pattern Recognition · Computer Science 2019-04-30 Xin Chen , Lingxi Xie , Jun Wu , Qi Tian

We study a group of new methods to solve an open problem that is the shortest paths problem on a given fix-weighted instance. It is the real significance at a considerable altitude to reach our aim to meet these qualities of generic,…

Discrete Mathematics · Computer Science 2016-11-30 Yong Tan

Mappings to structured output spaces (strings, trees, partitions, etc.) are typically learned using extensions of classification algorithms to simple graphical structures (eg., linear chains) in which search and parameter estimation can be…

Machine Learning · Computer Science 2009-07-07 Hal Daumé , Daniel Marcu

In this paper, we propose a stochastic search algorithm for solving general optimization problems with little structure. The algorithm iteratively finds high quality solutions by randomly sampling candidate solutions from a parameterized…

Optimization and Control · Mathematics 2013-01-08 Enlu Zhou , Jiaqiao Hu

Hierarchical abstractions are a methodology for solving large-scale graph problems in various disciplines. Coarsening is one such approach: it generates a pyramid of graphs whereby the one in the next level is a structural summary of the…

Machine Learning · Computer Science 2020-12-08 Tengfei Ma , Jie Chen

There has been a lot of recent interest in mining patterns from graphs. Often, the exact structure of the patterns of interest is not known. This happens, for example, when molecular structures are mined to discover fragments useful as…

Data Structures and Algorithms · Computer Science 2007-05-23 Pavel Dmitriev , Carl Lagoze

Visual information plays an indispensable role in our daily interactions with environment. Such information is manipulated for a wide range of purposes spanning from basic object and material perception to complex gesture interpretations.…

Computer Vision and Pattern Recognition · Computer Science 2017-09-04 Vahid Jalili

The dramatic success of deep neural networks across multiple application areas often relies on experts painstakingly designing a network architecture specific to each task. To simplify this process and make it more accessible, an emerging…

Machine Learning · Computer Science 2018-01-17 Kamil Bennani-Smires , Claudiu Musat , Andreea Hossmann , Michael Baeriswyl

Path-planning algorithms are an important part of a wide variety of robotic applications, such as mobile robot navigation and robot arm manipulation. However, in large search spaces in which local traps may exist, it remains challenging to…

Machine Learning · Computer Science 2019-08-12 Yuka Ariki , Takuya Narihira

Generalization is a key challenge in machine learning, specifically in reasoning tasks, where models are expected to solve problems more complex than those encountered during training. Existing approaches typically train reasoning models in…

Machine Learning · Computer Science 2025-10-24 Alexandru Oarga , Yilun Du

We propose a new architecture for difficult image processing operations, such as natural edge detection or thin object segmentation. The architecture is based on a simple combination of convolutional neural networks with the nearest…

Computer Vision and Pattern Recognition · Computer Science 2014-07-04 Yaroslav Ganin , Victor Lempitsky

Designing good heuristic functions for graph search requires adequate domain knowledge. It is often easy to design heuristics that perform well and correlate with the underlying true cost-to-go values in certain parts of the search space…

Artificial Intelligence · Computer Science 2025-09-01 Ramkumar Natarajan , Muhammad Suhail Saleem , William Xiao , Sandip Aine , Howie Choset , Maxim Likhachev

The rise of Artificial Intelligence (AI) recently empowered researchers to investigate hard mathematical problems which eluded traditional approaches for decades. Yet, the use of AI in Universal Algebra (UA) -- one of the fields laying the…

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