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Keyu Chen

Publications and source records attributed to Keyu Chen.

At least 73 records · Page 4Linked to original sources
arXiv2025

Simultaneous imaging of vibrational, rotational, and electronic wave packet dynamics in a triatomic molecule

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our ability to monitor and understand these dynamics is crucial for molecular physics, physical chemistry, and photobiology. However, characterizing this complex motion represents a significant challenge when different degrees of freedom are strongly coupled. In this Letter, we demonstrate how the interplay between vibrational, rotational, and electronic degrees of freedom governs the evolution of molecular wave packets in the low-lying states of strong-field-ionized sulfur dioxide. Using time-resolved Coulomb explosion imaging (CEI) and quantum mechanical wave packet simulations, we directly map the bending vibrations of the molecule, show how the vibrational wave packet is influenced by molecular alignment, and elucidate the consequences of nuclear motion for the coupling between the two lowest electronic states of the cation. Our results demonstrate that multi-coincident CEI can be an efficient experimental tool for characterizing coupled electronic and nuclear motion in polyatomic molecules.

physics.chem-ph↗
arXiv2025

DriveCamSim: Generalizable Camera Simulation via Explicit Camera Modeling for Autonomous Driving

Camera sensor simulation serves as a critical role for autonomous driving (AD), e.g. evaluating vision-based AD algorithms. While existing approaches have leveraged generative models for controllable image/video generation, they remain constrained to generating multi-view video sequences with fixed camera viewpoints and video frequency, significantly limiting their downstream applications. To address this, we present a generalizable camera simulation framework DriveCamSim, whose core innovation lies in the proposed Explicit Camera Modeling (ECM) mechanism. Instead of implicit interaction through vanilla attention, ECM establishes explicit pixel-wise correspondences across multi-view and multi-frame dimensions, decoupling the model from overfitting to the specific camera configurations (intrinsic/extrinsic parameters, number of views) and temporal sampling rates presented in the training data. For controllable generation, we identify the issue of information loss inherent in existing conditional encoding and injection pipelines, proposing an information-preserving control mechanism. This control mechanism not only improves conditional controllability, but also can be extended to be identity-aware to enhance temporal consistency in foreground object rendering. With above designs, our model demonstrates superior performance in both visual quality and controllability, as well as generalization capability across spatial-level (camera parameters variations) and temporal-level (video frame rate variations), enabling flexible user-customizable camera simulation tailored to diverse application scenarios. Code will be avaliable at https://github.com/swc-17/DriveCamSim for facilitating future research.

cs.CV↗
arXiv2025

Improved Algorithms for Differentially Private Language Model Alignment

Language model alignment is crucial for ensuring that large language models (LLMs) align with human preferences, yet it often involves sensitive user data, raising significant privacy concerns. While prior work has integrated differential privacy (DP) with alignment techniques, their performance remains limited. In this paper, we propose novel algorithms for privacy-preserving alignment and rigorously analyze their effectiveness across varying privacy budgets and models. Our framework can be deployed on two celebrated alignment techniques, namely direct preference optimization (DPO) and reinforcement learning from human feedback (RLHF). Through systematic experiments on large-scale language models, we demonstrate that our approach achieves state-of-the-art performance. Notably, one of our algorithms, DP-AdamW, combined with DPO, surpasses existing methods, improving alignment quality by up to 15% under moderate privacy budgets (ε=2-5). We further investigate the interplay between privacy guarantees, alignment efficacy, and computational demands, providing practical guidelines for optimizing these trade-offs.

cs.CR↗
arXiv2025

Optimal Transport and Wasserstein Barycenter for Radially Contoured Distributions

The optimal transport and Wasserstein barycenter of Gaussian distributions have been solved. In literature, the closed form formulas of the Monge map, the Wasserstein distance and the Wasserstein barycenter have been given. Moreover, when Gaussian distributions extend more generally to elliptically contoured distributions, similar results also hold true. In this case, Gaussian distributions are regarded as elliptically contoured distribution with generator function $e^{-x/2}$. However, there are few results about optimal transport for elliptically contoured distributions with different generator functions. In this paper, we degenerate elliptically contoured distributions to radially contoured distributions and study their optimal transport and prove their Wasserstein barycenter is still radially contoured. For general elliptically contoured distributions, we give two numerical counterexamples to show that the Wasserstein barycenter of elliptically contoured distributions does not have to be elliptically contoured.

math.OC↗
arXiv2025

Feature Alignment and Representation Transfer in Knowledge Distillation for Large Language Models

Knowledge distillation (KD) is a technique for transferring knowledge from complex teacher models to simpler student models, significantly enhancing model efficiency and accuracy. It has demonstrated substantial advancements in various applications including image classification, object detection, language modeling, text classification, and sentiment analysis. Recent innovations in KD methods, such as attention-based approaches, block-wise logit distillation, and decoupling distillation, have notably improved student model performance. These techniques focus on stimulus complexity, attention mechanisms, and global information capture to optimize knowledge transfer. In addition, KD has proven effective in compressing large language models while preserving accuracy, reducing computational overhead, and improving inference speed. This survey synthesizes the latest literature, highlighting key findings, contributions, and future directions in knowledge distillation to provide insights for researchers and practitioners on its evolving role in artificial intelligence and machine learning.

cs.CL↗
arXiv2025

Advanced Deep Learning Methods for Protein Structure Prediction and Design

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining recent innovations in prediction architectures, with detailed discussions on improvements such as diffusion based frameworks and novel pairwise attention modules. The text analyses key components including structure generation, evaluation metrics, multiple sequence alignment processing, and network architecture, thereby illustrating the current state of the art in computational protein modelling. Subsequent chapters focus on practical applications, presenting case studies that range from individual protein predictions to complex biomolecular interactions. Strategies for enhancing prediction accuracy and integrating deep learning techniques with experimental validation are thoroughly explored. The later sections review the industry landscape of protein design, highlighting the transformative role of artificial intelligence in biotechnology and discussing emerging market trends and future challenges. Supplementary appendices provide essential resources such as databases and open source tools, making this volume a valuable reference for researchers and students.

q-bio.BM↗
arXiv2025

A Relaxed Wasserstein Distance Formulation for Mixtures of Radially Contoured Distributions

Recently, a Wasserstein-type distance for Gaussian mixture models has been proposed. However, that framework can only be generalized to identifiable mixtures of general elliptically contoured distributions whose components come from the same family and satisfy marginal consistency. In this paper, we propose a simple relaxed Wasserstein distance for identifiable mixtures of radially contoured distributions whose components can come from different families. We show some properties of this distance and that its definition does not require marginal consistency. We apply this distance in color transfer tasks and compare its performance with the Wasserstein-type distance for Gaussian mixture models in an experiment. The error of our method is more stable and the color distribution of our output image is more desirable.

math.OC↗
arXiv2025

AniGaussian: Animatable Gaussian Avatar with Pose-guided Deformation

Recent advancements in Gaussian-based human body reconstruction have achieved notable success in creating animatable avatars. However, there are ongoing challenges to fully exploit the SMPL model's prior knowledge and enhance the visual fidelity of these models to achieve more refined avatar reconstructions. In this paper, we introduce AniGaussian which addresses the above issues with two insights. First, we propose an innovative pose guided deformation strategy that effectively constrains the dynamic Gaussian avatar with SMPL pose guidance, ensuring that the reconstructed model not only captures the detailed surface nuances but also maintains anatomical correctness across a wide range of motions. Second, we tackle the expressiveness limitations of Gaussian models in representing dynamic human bodies. We incorporate rigid-based priors from previous works to enhance the dynamic transform capabilities of the Gaussian model. Furthermore, we introduce a split-with-scale strategy that significantly improves geometry quality. The ablative study experiment demonstrates the effectiveness of our innovative model design. Through extensive comparisons with existing methods, AniGaussian demonstrates superior performance in both qualitative result and quantitative metrics.

cs.GR↗
arXiv2025

Generative Adversarial Networks Bridging Art and Machine Intelligence

Generative Adversarial Networks (GAN) have greatly influenced the development of computer vision and artificial intelligence in the past decade and also connected art and machine intelligence together. This book begins with a detailed introduction to the fundamental principles and historical development of GANs, contrasting them with traditional generative models and elucidating the core adversarial mechanisms through illustrative Python examples. The text systematically addresses the mathematical and theoretical underpinnings including probability theory, statistics, and game theory providing a solid framework for understanding the objectives, loss functions, and optimisation challenges inherent to GAN training. Subsequent chapters review classic variants such as Conditional GANs, DCGANs, InfoGAN, and LAPGAN before progressing to advanced training methodologies like Wasserstein GANs, GANs with gradient penalty, least squares GANs, and spectral normalisation techniques. The book further examines architectural enhancements and task-specific adaptations in generators and discriminators, showcasing practical implementations in high resolution image generation, artistic style transfer, video synthesis, text to image generation and other multimedia applications. The concluding sections offer insights into emerging research trends, including self-attention mechanisms, transformer-based generative models, and a comparative analysis with diffusion models, thus charting promising directions for future developments in both academic and applied settings.

cs.LG↗
arXiv2025

Measurement of surface tension coefficients of liquids based on equal thickness interference

The surface tension coefficient is a key parameter in fluid mechanics. The conventional method to measure it is to determine the critical surface tension that causes the rupture of a liquid film. However, this method has a large error because the surface tension coefficient is very sensitive to environmental factors. In this paper, we propose a new method based on equal thickness interference to study the mathematical model of the stationary liquid surface shape and measure it by the interference technique. This method enables the accurate measurement of the liquid surface tension coefficient. The experimental results demonstrate that this method has the advantages of high accuracy, low cost, and simple instrumentation. The maximum measurement error is less than 3.1\%. Moreover, this method can be applied to measure the liquid-liquid interfacial tension, which has a good application prospect.

physics.flu-dyn↗
arXiv2025

From Aleatoric to Epistemic: Exploring Uncertainty Quantification Techniques in Artificial Intelligence

Uncertainty quantification (UQ) is a critical aspect of artificial intelligence (AI) systems, particularly in high-risk domains such as healthcare, autonomous systems, and financial technology, where decision-making processes must account for uncertainty. This review explores the evolution of uncertainty quantification techniques in AI, distinguishing between aleatoric and epistemic uncertainties, and discusses the mathematical foundations and methods used to quantify these uncertainties. We provide an overview of advanced techniques, including probabilistic methods, ensemble learning, sampling-based approaches, and generative models, while also highlighting hybrid approaches that integrate domain-specific knowledge. Furthermore, we examine the diverse applications of UQ across various fields, emphasizing its impact on decision-making, predictive accuracy, and system robustness. The review also addresses key challenges such as scalability, efficiency, and integration with explainable AI, and outlines future directions for research in this rapidly developing area. Through this comprehensive survey, we aim to provide a deeper understanding of UQ's role in enhancing the reliability, safety, and trustworthiness of AI systems.

cs.AI↗
arXiv2024

Deep Learning Model Security: Threats and Defenses

Deep learning has transformed AI applications but faces critical security challenges, including adversarial attacks, data poisoning, model theft, and privacy leakage. This survey examines these vulnerabilities, detailing their mechanisms and impact on model integrity and confidentiality. Practical implementations, including adversarial examples, label flipping, and backdoor attacks, are explored alongside defenses such as adversarial training, differential privacy, and federated learning, highlighting their strengths and limitations. Advanced methods like contrastive and self-supervised learning are presented for enhancing robustness. The survey concludes with future directions, emphasizing automated defenses, zero-trust architectures, and the security challenges of large AI models. A balanced approach to performance and security is essential for developing reliable deep learning systems.

cs.CR↗
arXiv2024

From Noise to Nuance: Advances in Deep Generative Image Models

Deep learning-based image generation has undergone a paradigm shift since 2021, marked by fundamental architectural breakthroughs and computational innovations. Through reviewing architectural innovations and empirical results, this paper analyzes the transition from traditional generative methods to advanced architectures, with focus on compute-efficient diffusion models and vision transformer architectures. We examine how recent developments in Stable Diffusion, DALL-E, and consistency models have redefined the capabilities and performance boundaries of image synthesis, while addressing persistent challenges in efficiency and quality. Our analysis focuses on the evolution of latent space representations, cross-attention mechanisms, and parameter-efficient training methodologies that enable accelerated inference under resource constraints. While more efficient training methods enable faster inference, advanced control mechanisms like ControlNet and regional attention systems have simultaneously improved generation precision and content customization. We investigate how enhanced multi-modal understanding and zero-shot generation capabilities are reshaping practical applications across industries. Our analysis demonstrates that despite remarkable advances in generation quality and computational efficiency, critical challenges remain in developing resource-conscious architectures and interpretable generation systems for industrial applications. The paper concludes by mapping promising research directions, including neural architecture optimization and explainable generation frameworks.

cs.CV↗
arXiv2024

A Comprehensive Guide to Explainable AI: From Classical Models to LLMs

Explainable Artificial Intelligence (XAI) addresses the growing need for transparency and interpretability in AI systems, enabling trust and accountability in decision-making processes. This book offers a comprehensive guide to XAI, bridging foundational concepts with advanced methodologies. It explores interpretability in traditional models such as Decision Trees, Linear Regression, and Support Vector Machines, alongside the challenges of explaining deep learning architectures like CNNs, RNNs, and Large Language Models (LLMs), including BERT, GPT, and T5. The book presents practical techniques such as SHAP, LIME, Grad-CAM, counterfactual explanations, and causal inference, supported by Python code examples for real-world applications. Case studies illustrate XAI's role in healthcare, finance, and policymaking, demonstrating its impact on fairness and decision support. The book also covers evaluation metrics for explanation quality, an overview of cutting-edge XAI tools and frameworks, and emerging research directions, such as interpretability in federated learning and ethical AI considerations. Designed for a broad audience, this resource equips readers with the theoretical insights and practical skills needed to master XAI. Hands-on examples and additional resources are available at the companion GitHub repository: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.

cs.LG↗
arXiv2024

Deep Learning, Machine Learning, Advancing Big Data Analytics and Management

Advancements in artificial intelligence, machine learning, and deep learning have catalyzed the transformation of big data analytics and management into pivotal domains for research and application. This work explores the theoretical foundations, methodological advancements, and practical implementations of these technologies, emphasizing their role in uncovering actionable insights from massive, high-dimensional datasets. The study presents a systematic overview of data preprocessing techniques, including data cleaning, normalization, integration, and dimensionality reduction, to prepare raw data for analysis. Core analytics methodologies such as classification, clustering, regression, and anomaly detection are examined, with a focus on algorithmic innovation and scalability. Furthermore, the text delves into state-of-the-art frameworks for data mining and predictive modeling, highlighting the role of neural networks, support vector machines, and ensemble methods in tackling complex analytical challenges. Special emphasis is placed on the convergence of big data with distributed computing paradigms, including cloud and edge computing, to address challenges in storage, computation, and real-time analytics. The integration of ethical considerations, including data privacy and compliance with global standards, ensures a holistic perspective on data management. Practical applications across healthcare, finance, marketing, and policy-making illustrate the real-world impact of these technologies. Through comprehensive case studies and Python-based implementations, this work equips researchers, practitioners, and data enthusiasts with the tools to navigate the complexities of modern data analytics. It bridges the gap between theory and practice, fostering the development of innovative solutions for managing and leveraging data in the era of artificial intelligence.

cs.LG↗
arXiv2024

FREA: Feasibility-Guided Generation of Safety-Critical Scenarios with Reasonable Adversariality

Generating safety-critical scenarios, which are essential yet difficult to collect at scale, offers an effective method to evaluate the robustness of autonomous vehicles (AVs). Existing methods focus on optimizing adversariality while preserving the naturalness of scenarios, aiming to achieve a balance through data-driven approaches. However, without an appropriate upper bound for adversariality, the scenarios might exhibit excessive adversariality, potentially leading to unavoidable collisions. In this paper, we introduce FREA, a novel safety-critical scenarios generation method that incorporates the Largest Feasible Region (LFR) of AV as guidance to ensure the reasonableness of the adversarial scenarios. Concretely, FREA initially pre-calculates the LFR of AV from offline datasets. Subsequently, it learns a reasonable adversarial policy that controls the scene's critical background vehicles (CBVs) to generate adversarial yet AV-feasible scenarios by maximizing a novel feasibility-dependent adversarial objective function. Extensive experiments illustrate that FREA can effectively generate safety-critical scenarios, yielding considerable near-miss events while ensuring AV's feasibility. Generalization analysis also confirms the robustness of FREA in AV testing across various surrogate AV methods and traffic environments.

cs.RO↗
arXiv2024

F-Eval: Assessing Fundamental Abilities with Refined Evaluation Methods

Large language models (LLMs) garner significant attention for their unprecedented performance, leading to an increasing number of researches evaluating LLMs. However, these evaluation benchmarks are limited to assessing the instruction-following capabilities, overlooking the fundamental abilities that emerge during the pre-training stage. Previous subjective evaluation methods mainly reply on scoring by API models. However, in the absence of references, large models have shown limited ability to discern subtle differences. To bridge the gap, we propose F-Eval, a bilingual evaluation benchmark to evaluate the fundamental abilities, including expression, commonsense and logic. The tasks in F-Eval include multi-choice objective tasks, open-ended objective tasks, reference-based subjective tasks and reference-free subjective tasks. For reference-free subjective tasks, we devise new evaluation methods, serving as alternatives to scoring by API models. We conduct evaluations on 13 advanced LLMs. Results show that our evaluation methods show higher correlation coefficients and larger distinction than other evaluators. Additionally, we discuss the influence of different model sizes, dimensions, and normalization methods. We anticipate that F-Eval will facilitate the study of LLMs' fundamental abilities.

cs.CL↗