Related papers: PyTIE: A Python Program for the Evaluation of Degr…
Automatically extracting key information from scientific documents has the potential to help scientists work more efficiently and accelerate the pace of scientific progress. Prior work has considered extracting document-level entity…
Dealing with uncertainty in applications of machine learning to real-life data critically depends on the knowledge of intrinsic dimensionality (ID). A number of methods have been suggested for the purpose of estimating ID, but no standard…
mmid (Multi-Modal Integration and Downstream analyses for healthcare analytics) is a Python package that offers multi-modal fusion and imputation, classification, time-to-event prediction and clustering functionalities under a single…
We describe PyRaTE, a new, non-local thermodynamic equilibrium (non-LTE) line radiative transfer code developed specifically for post-processing astrochemical simulations. Population densities are estimated using the escape probability…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
Spectral line observations encode a wealth of information. A key challenge, therefore, lies in the interpretation of these observations in terms of models to derive the physical and chemical properties of the astronomical environments from…
We introduce GraSPy, a Python library devoted to statistical inference, machine learning, and visualization of random graphs and graph populations. This package provides flexible and easy-to-use algorithms for analyzing and understanding…
Topological entanglement entropy (TEE) is an efficient way to detect topological order in the ground state of gapped Hamiltonians. The seminal work of Kitaev and Preskill~\cite{preskill-kitaev-tee} and simultaneously by Levin and…
Despite the explosion of interest in healthcare AI research, the reproducibility and benchmarking of those research works are often limited due to the lack of standard benchmark datasets and diverse evaluation metrics. To address this…
Latte (for LATent Tensor Evaluation) is a Python library for evaluation of latent-based generative models in the fields of disentanglement learning and controllable generation. Latte is compatible with both PyTorch and TensorFlow/Keras, and…
PyEOC is an open-source Python code for determining electro-optic (EO) coefficients of thin-film materials from the static and dynamic reflectivity measurements. It uses the experimental results, the transfer-matrix method and implements a…
Knowledge graph (KG) embedding methods which map entities and relations to unique embeddings in the KG have shown promising results on many reasoning tasks. However, the same embedding dimension for both dense entities and sparse entities…
Seismology has witnessed significant advancements in recent years with the application of deep learning methods to address a broad range of problems. These techniques have demonstrated their remarkable ability to effectively extract…
QuaPy is an open-source framework for performing quantification (a.k.a. supervised prevalence estimation), written in Python. Quantification is the task of training quantifiers via supervised learning, where a quantifier is a predictor that…
We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…
We present efficient combinatorial parameterized algorithms for several classical graph-based counting problems in computational chemistry, including (i) Kekule structures, (ii) the Hosoya index, (iii) the Merrifield-Simmons index, and (iv)…
Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in…
This paper presents a Python software package, Ph3pyWF, providing a more convenient platform to realize high-throughput analysis of lattice thermal conductivity for ceramic materials. The interface of Ph3pyWF is friendly for users with…
We introduce a systematic method for constructing polytope approximations to the quantum set in a variety of device-independent quantum random number generation (DI-QRNG) protocols. Our approach relies on two general-purpose algorithms that…
PetroFit is an open-source Python package, based on Astropy and Photutils, that can calculate Petrosian profiles and fit galaxy images. It offers end-to-end tools for making accurate photometric measurements, estimating morphological…