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Shape analysis methods have in the past few years become very popular, both for theoretical exploration as well as from an application point of view. Originally developed for planar curves, these methods have been expanded to higher…

Differential Geometry · Mathematics 2016-09-27 Elena Celledoni , Markus Eslitzbichler , Alexander Schmeding

Procedural textures are normally generated from mathematical models with parameters carefully selected by experienced users. However, for naive users, the intuitive way to obtain a desired texture is to provide semantic descriptions such as…

Computer Vision and Pattern Recognition · Computer Science 2017-04-14 Junyu Dong , Lina Wang , Jun Liu , Xin Sun

We introduce the notion of property signatures, a representation for programs and program specifications meant for consumption by machine learning algorithms. Given a function with input type $\tau_{in}$ and output type $\tau_{out}$, a…

Programming Languages · Computer Science 2020-02-24 Augustus Odena , Charles Sutton

Virtually all verification and synthesis techniques assume that the formal specifications are readily available, functionally correct, and fully match the engineer's understanding of the given system. However, this assumption is often…

Formal Languages and Automata Theory · Computer Science 2022-06-15 Simon Lutz , Daniel Neider , Rajarshi Roy

Accurate and up-to-date models describing the be- havior of software systems are seldom available in practice. To address this issue, software engineers may use specification mining techniques, which can automatically derive models that…

Software Engineering · Computer Science 2017-05-24 Fabrizio Pastore , Daniela Micucci , Leonardo Mariani

Kernel methods are widely used in machine learning and statistics for their flexibility and expressive power, yet their black-box nature limits adoption in high-stakes applications. Shapley value-based attribution methods such as SHAP, and…

Machine Learning · Computer Science 2026-05-08 Majid Mohammadi , Siu Lun Chau , Krikamol Muandet

The parameterization of simulation-based models is a central yet laborious task in computational chemistry and physics, often driven by human intuition and manual iteration. Automating this task necessitates the definition of suitable…

Dynamic simulators model systems evolving over time. Often, it operates iteratively over fixed number of time-steps. The output of such simulator can be considered as time series or discrete functional outputs. Metamodeling is an e ective…

Applications · Statistics 2013-04-04 Ekaterina Sergienko , Fabrice Gamboa , Daniel Busby

A new graph-based order parameter is introduced for the characterization of atomistic structures. The order parameter is universal to any material/chemical system, and is transferable to all structural geometries. Three sets of data are…

Materials Science · Physics 2022-03-22 James Chapman , Nir Goldman , Brandon Wood

We present Shape-Haptics, an approach for designers to rapidly design and fabricate passive force feedback mechanisms for physical interfaces. Such mechanisms are used in everyday interfaces and tools, and they are challenging to design.…

Human-Computer Interaction · Computer Science 2022-02-23 Clement Zheng , Zhen Zhou Yong , Hongnan Lin , HyunJoo Oh , Ching Chiuan Yen

Fragment-based shape signature techniques have proven to be powerful tools for computer-aided drug design. They allow scientists to search for target molecules with some similarity to a known active compound. They do not require reference…

Artificial Intelligence · Computer Science 2022-01-05 Thierry Petit , Randy J. Zauhar

Many universities have courses and projects revolving around compiler or interpreter implementation as part of their degree programmes in computer science. In such teaching activities, tool support can be highly beneficial. While there are…

Programming Languages · Computer Science 2022-09-21 Georgian-Vlad Saioc , Hans Hüttel

Structural monitoring for complex built environments often suffers from mismatch between design, laboratory testing, and actual built parameters. Additionally, real-world structural identification problems encounter many challenges. For…

Machine Learning · Computer Science 2022-08-29 Xuyang Li , Hamed Bolandi , Talal Salem , Nizar Lajnef , Vishnu Naresh Boddeti

We introduce ShapeWords, an approach for synthesizing images based on 3D shape guidance and text prompts. ShapeWords incorporates target 3D shape information within specialized tokens embedded together with the input text, effectively…

Computer Vision and Pattern Recognition · Computer Science 2025-12-12 Dmitry Petrov , Pradyumn Goyal , Divyansh Shivashok , Yuanming Tao , Melinos Averkiou , Evangelos Kalogerakis

Structure-informed materials informatics is a rapidly evolving discipline of materials science relying on the featurization of atomic structures or configurations to construct vector, voxel, graph, graphlet, and other representations useful…

Materials Science · Physics 2024-12-17 Adam M. Krajewski , Jonathan W. Siegel , Zi-Kui Liu

Large scale dynamical systems (e.g. many nonlinear coupled differential equations) can often be summarized in terms of only a few state variables (a few equations), a trait that reduces complexity and facilitates exploration of behavioral…

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

Graph transformation approaches have been successfully used to analyse and design chemical and biological systems. Here we build on top of a DPO framework, in which molecules are modelled as typed attributed graphs and chemical reactions…

Logic in Computer Science · Computer Science 2019-11-04 Jakob Lykke Andersen , Marc Hellmuth , Daniel Merkle , Nikolai Nøjgaard , Marco Peressotti

We present ShapeNet: a richly-annotated, large-scale repository of shapes represented by 3D CAD models of objects. ShapeNet contains 3D models from a multitude of semantic categories and organizes them under the WordNet taxonomy. It is a…

This paper presents NEUROSPF, a tool for the symbolic analysis of neural networks. Given a trained neural network model, the tool extracts the architecture and model parameters and translates them into a Java representation that is amenable…

Machine Learning · Computer Science 2021-03-02 Muhammad Usman , Yannic Noller , Corina Pasareanu , Youcheng Sun , Divya Gopinath