相关论文: Generating Periodic Grain Boundary Structures: Alg…

We present PyTorch Geometric Temporal a deep learning framework combining state-of-the-art machine learning algorithms for neural spatiotemporal signal processing. The main goal of the library is to make temporal geometric deep learning…

Linear temporal logic (LTL) is a specification language for finite sequences (called traces) widely used in program verification, motion planning in robotics, process mining, and many other areas. We consider the problem of learning LTL…

Component-based synthesis (CBS) generates loop-free programs from library components to satisfy logical queries. While expressive specifications and precise queries simplify the solution space, they make finding feasible execution paths…

A generic rectangulation is a partition of a rectangle into finitely many interior-disjoint rectangles, such that no four rectangles meet in a point. In this work we present a versatile algorithmic framework for exhaustively generating a…

We first show that the tilings of a general domain form a lattice which we then undertake to decompose and generate without any redundance. To this end, we study extensively the relatively simple case of hexagons and their deformations. We…

In program verification, constraint-based random testing is a powerful technique which aims at generating random test cases that satisfy functional properties of a program. However, on recursive constrained data-structures (e.g., sorted…

The combination of convolutional and recurrent neural networks is a promising framework that allows the extraction of high-quality spatio-temporal features together with its temporal dependencies, which is key for time series prediction…

The problem of accurately measuring the similarity between graphs is at the core of many applications in a variety of disciplines. Graph kernels have recently emerged as a promising approach to this problem. There are now many kernels, each…

Tensor algebra finds applications in various domains, and these applications, especially when accelerated on spatial hardware accelerators, can deliver high performance and low power. Spatial hardware accelerator exhibits complex design…

Cross-lingual in-context learning (XICL) has emerged as a transformative paradigm for leveraging large language models (LLMs) to tackle multilingual tasks, especially for low-resource languages. However, existing approaches often rely on…

A crucial step in constructing a Lattice Boltzmann model is the definition of a suitable set of lattice velocities, and the correct assignment of the associated weights. For high-order models, the solution of this problem requires a…

A software tool, computing observed and expected upper limits on Poissonian process rates using a hybrid frequentist-Bayesian CLs method, is presented. This tool can be used for simple counting experiments where only signal, background and…

We propose a method to guide Large Language Models (LLMs) in generating structured content adhering to specific conventions without fine-tuning. By utilizing coroutine-based content generation constraints through a pre-agreed context-free…

We present the Open MatSci ML Toolkit: a flexible, self-contained, and scalable Python-based framework to apply deep learning models and methods on scientific data with a specific focus on materials science and the OpenCatalyst Dataset. Our…

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here we use a…

We consider the problem of solving a family of parametric mixed-integer linear optimization problems where some entries in the input data change. We introduce the concept of cutting-plane layer (CPL), i.e., a differentiable cutting-plane…

Crystal generative models have shown rapid progress for accelerating the discovery of bulk, periodic materials. However, many material systems such as 2D superconductors, thin film semiconductors, and catalytic surfaces are diperiodic,…

One of the major challenges towards understanding and further utilizing the properties and functional behaviors of grain boundaries (GB) is the complexity of general GBs with mixed tilt and twist characters. Here, we report the correlations…

This paper introduces PyGAD, an open-source easy-to-use Python library for building the genetic algorithm. PyGAD supports a wide range of parameters to give the user control over everything in its life cycle. This includes, but is not…

SPM (Sand Pile Model) is a simple discrete dynamical system used in physics to represent granular objects. It is deeply related to integer partitions, and many other combinatorics problems, such as tilings or rewriting systems. The…