Abstract:Dynamic concepts in time series are crucial for understanding complex systems such as financial markets, healthcare, and online activity logs. These concepts help reveal structures and behaviors in sequential data for better decision-making and forecasting. Existing models struggle with detecting and tracking concept drift due to limitations in interpretability and adaptability. This paper introduces Kolmogorov-Arnold Networks (KAN) into time series and proposes WormKAN, a KAN-based auto-encoder to address concept drift in co-evolving time series. WormKAN integrates the KAN-SR module, in which the encoder, decoder, and self-representation layer are built on KAN, along with a temporal constraint to capture concept transitions. These transitions, akin to passing through a "wormhole", are identified by abrupt changes in the latent space. Experiments show that KAN and KAN-based models (WormKAN) effectively segment time series into meaningful concepts, enhancing the identification and tracking of concept drifts.
Abstract: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.
Abstract:In the contemporary of deep learning, where models often grapple with the challenge of simultaneously achieving robustness against adversarial attacks and strong generalization capabilities, this study introduces an innovative Local Feature Masking (LFM) strategy aimed at fortifying the performance of Convolutional Neural Networks (CNNs) on both fronts. During the training phase, we strategically incorporate random feature masking in the shallow layers of CNNs, effectively alleviating overfitting issues, thereby enhancing the model's generalization ability and bolstering its resilience to adversarial attacks. LFM compels the network to adapt by leveraging remaining features to compensate for the absence of certain semantic features, nurturing a more elastic feature learning mechanism. The efficacy of LFM is substantiated through a series of quantitative and qualitative assessments, collectively showcasing a consistent and significant improvement in CNN's generalization ability and resistance against adversarial attacks--a phenomenon not observed in current and prior methodologies. The seamless integration of LFM into established CNN frameworks underscores its potential to advance both generalization and adversarial robustness within the deep learning paradigm. Through comprehensive experiments, including robust person re-identification baseline generalization experiments and adversarial attack experiments, we demonstrate the substantial enhancements offered by LFM in addressing the aforementioned challenges. This contribution represents a noteworthy stride in advancing robust neural network architectures.
Abstract:Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes 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 pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the 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. Our 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 experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.
Abstract:In the field of computer vision, the persistent presence of color bias, resulting from fluctuations in real-world lighting and camera conditions, presents a substantial challenge to the robustness of models. This issue is particularly pronounced in complex wide-area surveillance scenarios, such as person re-identification and industrial dust segmentation, where models often experience a decline in performance due to overfitting on color information during training, given the presence of environmental variations. Consequently, there is a need to effectively adapt models to cope with the complexities of camera conditions. To address this challenge, this study introduces a learning strategy named Random Color Erasing, which draws inspiration from ensemble learning. This strategy selectively erases partial or complete color information in the training data without disrupting the original image structure, thereby achieving a balanced weighting of color features and other features within the neural network. This approach mitigates the risk of overfitting and enhances the model's ability to handle color variation, thereby improving its overall robustness. The approach we propose serves as an ensemble learning strategy, characterized by robust interpretability. A comprehensive analysis of this methodology is presented in this paper. Across various tasks such as person re-identification and semantic segmentation, our approach consistently improves strong baseline methods. Notably, in comparison to existing methods that prioritize color robustness, our strategy significantly enhances performance in cross-domain scenarios. The code available at \url{https://github.com/layumi/Person\_reID\_baseline\_pytorch/blob/master/random\_erasing.py} or \url{https://github.com/finger-monkey/Data-Augmentation}.
Abstract: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.
Abstract:The Person Re-identification (ReID) system based on metric learning has been proved to inherit the vulnerability of deep neural networks (DNNs), which are easy to be fooled by adversarail metric attacks. Existing work mainly relies on adversarial training for metric defense, and more methods have not been fully studied. By exploring the impact of attacks on the underlying features, we propose targeted methods for metric attacks and defence methods. In terms of metric attack, we use the local color deviation to construct the intra-class variation of the input to attack color features. In terms of metric defenses, we propose a joint defense method which includes two parts of proactive defense and passive defense. Proactive defense helps to enhance the robustness of the model to color variations and the learning of structure relations across multiple modalities by constructing different inputs from multimodal images, and passive defense exploits the invariance of structural features in a changing pixel space by circuitous scaling to preserve structural features while eliminating some of the adversarial noise. Extensive experiments demonstrate that the proposed joint defense compared with the existing adversarial metric defense methods which not only against multiple attacks at the same time but also has not significantly reduced the generalization capacity of the model. The code is available at https://github.com/finger-monkey/multi-modal_joint_defence.