Lifei Chen

Kunpeng Xu, Lifei Chen, Shengrui Wang

Identifying and understanding dynamic concepts in co-evolving sequences is crucial for analyzing complex systems such as IoT applications, financial markets, and online activity logs. These concepts provide valuable insights into the underlying structures and behaviors of sequential data, enabling better decision-making and forecasting. This paper introduces Wormhole, a novel deep representation learning framework that is concept-aware and designed for co-evolving time sequences. Our model presents a self-representation layer and a temporal smoothness constraint to ensure robust identification of dynamic concepts and their transitions. Additionally, concept transitions are detected by identifying abrupt changes in the latent space, signifying a shift to new behavior - akin to passing through a wormhole. This novel mechanism accurately discerns concepts within co-evolving sequences and pinpoints the exact locations of these wormholes, enhancing the interpretability of the learned representations. Experiments demonstrate that this method can effectively segment time series data into meaningful concepts, providing a valuable tool for analyzing complex temporal patterns and advancing the detection of concept drifts.

Kunpeng Xu, Lifei Chen, Shengrui Wang

Machine learning techniques have outperformed numerous rule-based methods for decision-making in autonomous vehicles. Despite recent efforts, lane changing remains a major challenge, due to the complex driving scenarios and changeable social behaviors of surrounding vehicles. To help improve the state of the art, we propose to leveraging the emerging \underline{D}eep \underline{R}einforcement learning (DRL) approach for la\underline{NE} changing at the \underline{T}actical level. To this end, we present "DRNet", a novel and highly efficient DRL-based framework that enables a DRL agent to learn to drive by executing reasonable lane changing on simulated highways with an arbitrary number of lanes, and considering driving style of surrounding vehicles to make better decisions. Furthermore, to achieve a safe policy for decision-making, DRNet incorporates ideas from safety verification, the most important component of autonomous driving, to ensure that only safe actions are chosen at any time. The setting of our state representation and reward function enables the trained agent to take appropriate actions in a real-world-like simulator. Our DRL agent has the ability to learn the desired task without causing collisions and outperforms DDQN and other baseline models.

Sheng Gong, Yumin Zhang, Zhenliang Mu et al.

Despite the widespread applications of machine learning force fields (MLFF) in solids and small molecules, there is a notable gap in applying MLFF to simulate liquid electrolyte, a critical component of the current commercial lithium-ion battery. In this work, we introduce BAMBOO (\textbf{B}yteDance \textbf{A}I \textbf{M}olecular Simulation \textbf{Boo}ster), a predictive framework for molecular dynamics (MD) simulations, with a demonstration of its capability in the context of liquid electrolyte for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we introduce an ensemble knowledge distillation approach and apply it to MLFFs to reduce the fluctuation of observations from MD simulations. Finally, we propose a density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. The current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm$^3$ on various compositions compared with experiment.