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TEMPO (Time-dependent Evolution of Multiple Pulse Operations) offers accessible and efficient simulations of pulse sequences in Python, using the suite of master equation solvers available in the Quantum Toolbox in Python (QuTiP). It…

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

In this paper, we propose a probabilistic physics-guided framework, termed Physics-guided Deep Markov Model (PgDMM). The framework targets the inference of the characteristics and latent structure of nonlinear dynamical systems from…

Time-Series Mining (TSM) is an important research area since it shows great potential in practical applications. Deep learning models that rely on massive labeled data have been utilized for TSM successfully. However, constructing a…

MATLAB(R) releases over the last 3 years have witnessed a continuing growth in the dynamic modeling capabilities offered by the System Identification Toolbox(TM). The emphasis has been on integrating deep learning architectures and training…

In many scientific fields like e.g. neuroscience, climatology or physics, complex relationships can be described most parsimoniously by nonlinear mechanics. Despite their relevance, many scientists still apply linear estimates in order to…

Time series analysis is a field of data science which is interested in analyzing sequences of numerical values ordered in time. Time series are particularly interesting because they allow us to visualize and understand the evolution of a…

Deep learning has contributed remarkably to the advancement of time series analysis. Still, deep models can encounter performance bottlenecks in real-world data-scarce scenarios, which can be concealed due to the performance saturation with…

Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

In recent years, deep learning techniques have outperformed traditional models in many machine learning tasks. Deep neural networks have successfully been applied to address time series forecasting problems, which is a very important topic…

We introduce an interpretable deep learning model for multivariate time series forecasting that prioritizes both predictive performance and interpretability - key requirements for understanding complex physical phenomena. Our model not only…

\texttt{ml\_edm} is a Python 3 library, designed for early decision making of any learning tasks involving temporal/sequential data. The package is also modular, providing researchers an easy way to implement their own triggering strategy…

We present the Python Tree Tensor Network package (pyTTN) for the evaluation of dynamical properties of closed and open quantum systems that makes use of Tree Tensor Network (TTN), or equivalently the multi-layer multiconfiguration…

Despite the popularisation of machine learning models, more often than not, they still operate as black boxes with no insight into what is happening inside the model. There exist a few methods that allow to visualise and explain why a model…

We propose a method for the data-driven inference of temporal evolutions of physical functions with deep learning. More specifically, we target fluid flows, i.e. Navier-Stokes problems, and we propose a novel LSTM-based approach to predict…

Differentiable programming is the combination of classical neural networks modules with algorithmic ones in an end-to-end differentiable model. These new models, that use automatic differentiation to calculate gradients, have new learning…

Survival analysis, a foundational tool for modeling time-to-event data, has seen growing integration with machine learning (ML) approaches to handle the complexities of censored data and time-varying risks. Despite these advances,…

This study challenges strictly guaranteeing ``dissipativity'' of a dynamical system represented by neural networks learned from given time-series data. Dissipativity is a crucial indicator for dynamical systems that generalizes stability…

Diffusion models have been widely used in time series and spatio-temporal data, enhancing generative, inferential, and downstream capabilities. These models are applied across diverse fields such as healthcare, recommendation, climate,…

Extracting temporal relationships over a range of scales is a hallmark of human perception and cognition -- and thus it is a critical feature of machine learning applied to real-world problems. Neural networks are either plagued by the…