相关论文: Teaching Molecular Dynamics to a Non-Autoregressiv…

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li$_3$TiCl$_6$ cathode at six different temperatures, ranging from…

Multi-Object Tracking (MOT) aims to associate multiple objects across video frames and is a challenging vision task due to inherent complexities in the tracking environment. Most existing approaches train and track within a single domain,…

Car-following behavior modeling is critical for understanding traffic flow dynamics and developing high-fidelity microscopic simulation models. Most existing impulse-response car-following models prioritize computational efficiency and…

In this paper, we address the problem of reference tracking for uncertain nonlinear systems. Since collecting data from the target system (i.e., the system of interest) is often challenging, our objective is to design optimal controllers…

Future frame prediction has been approached through two primary methods: autoregressive and non-autoregressive. Autoregressive methods rely on the Markov assumption and can achieve high accuracy in the early stages of prediction when errors…

Decomposing knowledge into interchangeable pieces promises a generalization advantage when there are changes in distribution. A learning agent interacting with its environment is likely to be faced with situations requiring novel…

We study in this paper the problem of adaptive trajectory tracking control for a class of nonlinear systems with parametric uncertainties. We propose to use a modular approach, where we first design a robust nonlinear state feedback which…

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Machine learning (ML) has become a versatile tool for analyzing anomalous diffusion trajectories, yet most existing pipelines are trained on large collections of simulated data. In contrast, experimental trajectories, such as those from…

We develop a data-driven framework for learning and correcting non-autonomous vehicle dynamics. Physics-based vehicle models are often simplified for tractability and therefore exhibit inherent model-form uncertainty, motivating the need…

Informed machine learning methods allow the integration of prior knowledge into learning systems. This can increase accuracy and robustness or reduce data needs. However, existing methods often assume hard constraining knowledge, that does…

It is known that adaptive optimization algorithms represent the key pillar behind the rise of the Machine Learning field. In the Optimization literature numerous studies have been devoted to accelerated gradient methods but only recently…

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Recursive Neural Networks are non-linear adaptive models that are able to learn deep structured information. However, these models have not yet been broadly accepted. This fact is mainly due to its inherent complexity. In particular, not…

Simultaneously optimizing multiple, frequently conflicting, molecular properties is a key bottleneck in the development of novel therapeutics. Although a promising approach, the efficacy of multi-task learning is often compromised by…

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering…

Data-driven modeling in mechanics is evolving rapidly based on recent machine learning advances, especially on artificial neural networks. As the field matures, new data and models created by different groups become available, opening…

We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…

Structure-preserving approaches to dynamics discovery have demonstrated great potential for modeling physical systems due to their use of strong inductive biases, which enforce key features such as conservation laws and dissipative…

With the support of Internet of Things (IoT) devices, it is possible to acquire data from degradation phenomena and design data-driven models to perform anomaly detection in industrial equipment. This approach not only identifies potential…