相关论文: Generative deep-learning reveals collective variab…

Complex spatial and temporal structures are inherent characteristics of turbulent fluid flows and comprehending them poses a major challenge. This comprehesion necessitates an understanding of the space of turbulent fluid flow…

Planning with generative models has emerged as an effective decision-making paradigm across a wide range of domains, including reinforcement learning and autonomous navigation. While continuous replanning at each timestep might seem…

Based on deep neural networks (DNNs), deep learning has been successfully applied to many problems, but its mechanism is still not well understood -- especially the reason why over-parametrized DNNs can generalize. A recent statistical…

Depending on the energy regime, the dynamics of heavy-ion collisions reveals a variety of different mechanisms which are attributed to the combination of collective and dissipative effects. Semi-classical approaches have been successful in…

In the last few years, quantum computing and machine learning fostered rapid developments in their respective areas of application, introducing new perspectives on how information processing systems can be realized and programmed. The…

Modeling joint probability distributions is an important task in a wide variety of fields. One popular technique for this employs a family of multivariate distributions with uniform marginals called copulas. While the theory of modeling…

Probabilistic theory and differential equation are powerful tools for the interpretability and guidance of the design of machine learning models, especially for illuminating the mathematical motivation of learning latent variable from…

Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

We propose a deep generative Markov State Model (DeepGenMSM) learning framework for inference of metastable dynamical systems and prediction of trajectories. After unsupervised training on time series data, the model contains (i) a…

We introduce a new method, called CNNAS (convolutional neural networks for atomistic systems), for calculating the total energy of atomic systems which rivals the computational cost of empirical potentials while maintaining the accuracy of…

Recent deep generative models are able to provide photo-realistic images as well as visual or textual content embeddings useful to address various tasks of computer vision and natural language processing. Their usefulness is nevertheless…

Quantum circuit Born machines are generative models which represent the probability distribution of classical dataset as quantum pure states. Computational complexity considerations of the quantum sampling problem suggest that the quantum…

We investigate the quantum reaction-diffusion dynamics of fermionic particles which coherently hop in a one-dimensional lattice and undergo annihilation reactions. The latter are modelled as dissipative processes which involve losses of…

A protein's function depends critically on its conformational ensemble, a collection of energy weighted structures whose balance depends on temperature and environment. Though recent deep learning (DL) methods have substantially advanced…

High-dimensional metastable molecular system can often be characterised by a few features of the system, i.e. collective variables (CVs). Thanks to the rapid advance in the area of machine learning and deep learning, various deep…

Deep learning is a hierarchical inference method formed by subsequent multiple layers of learning able to more efficiently describe complex relationships. In this work, Deep Gaussian Mixture Models are introduced and discussed. A Deep…

Realistic free-space optical communications systems suffer from turbulent propagation of light through the atmosphere and detector noise at the receiver, which can significantly degrade the optical mode quality of the received state,…

We present a data-efficient, multiscale framework for predicting the density profiles of confined fluids at the nanoscale. While accurate density estimates require prohibitively long timescales that are inaccessible by ab initio molecular…

Deep generative models like VAEs and diffusion models have advanced various generation tasks by leveraging latent variables to learn data distributions and generate high-quality samples. Despite the field of explainable AI making strides in…