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Yuanyuan Liu

Publications and source records attributed to Yuanyuan Liu.

At least 19 recordsLinked to original sources

Identifying parameter couplings and uncertainties of mixed-noise stochastic systems via full-covariance Gaussian mixture network

Parameter identification of stochastic dynamical systems driven by mixed noises is challenging due to intractable likelihood functions. We propose PENN-GMD, a parameter estimation neural network that maps partially observed trajectories to a Gaussian mixture distribution (GMD) over the system parameters. Unlike conventional uncertainty estimates, the GMD employs full covariance matrices to explicitly reveal parameter couplings and multi-modal likelihood structures. The network is trained by minimizing the negative log-likelihood via a surjective parameterization that hard-encodes all GMD constraints, thereby approximating the true likelihood. We validate the method on five numerical examples with increasing complexity, including systems driven by fractional Gaussian and L\'evy noises, oscillators with colored noise, coupled neurons under different observability, and an aeroelastic airfoil with unidentifiable stochastic disturbances. Results demonstrate that PENN-GMD accurately recovers likelihood distributions, captures parameter couplings, and naturally diagnoses non-identifiability through variance broadening or mode splitting. These capabilities establish PENN-GMD as a practical tool for uncertainty-aware parameter identification in complex stochastic systems where conventional likelihood-based methods are infeasible.

stat.ML

ReactBench: A Benchmark for Topological Reasoning in MLLMs on Chemical Reaction Diagrams

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and cyclic dependencies, their reasoning capabilities degrade sharply, even on tasks as basic as counting endpoints. Existing benchmarks fail to probe this gap, focusing on semantic comprehension rather than structural reasoning. We introduce ReactBench, a benchmark that reveals fundamental limitations in structural reasoning through chemical reaction diagrams. These real-world scientific diagrams offer an ideal testbed because they naturally span diverse structures from linear chains to cyclic graphs, while requiring both precise local recognition and coherent global reasoning. Our benchmark comprises 1,618 expert-annotated QA pairs across four hierarchical task dimensions. Extensive evaluation across 24 MLLMs reveals a significant performance gap exceeding 30% between anchor-based tasks and holistic structural reasoning tasks. Controlled ablations confirm this bottleneck lies in reasoning, not perception. These findings expose a fundamental deficit in structural understanding and establish directions for advancing visual reasoning.

cs.AI

A deep learning framework for jointly solving transient Fokker-Planck equations with arbitrary parameters and initial distributions

Efficiently solving the Fokker-Planck equation (FPE) is central to analyzing complex parameterized stochastic systems. However, current numerical methods lack parallel computation capabilities across varying conditions, severely limiting comprehensive parameter exploration and transient analysis. This paper introduces a deep learning-based pseudo-analytical probability solution (PAPS) that, via a single training process, simultaneously resolves transient FPE solutions for arbitrary multi-modal initial distributions, system parameters, and time points. The core idea is to unify initial, transient, and stationary distributions via Gaussian mixture distributions (GMDs) and develop a constraint-preserving autoencoder that bijectively maps constrained GMD parameters to unconstrained, low-dimensional latent representations. In this representation space, the panoramic transient dynamics across varying initial conditions and system parameters can be modeled by a single evolution network. Extensive experiments on paradigmatic systems demonstrate that the proposed PAPS maintains high accuracy while achieving inference speeds four orders of magnitude faster than GPU-accelerated Monte Carlo simulations. This efficiency leap enables previously intractable real-time parameter sweeps and systematic investigations of stochastic bifurcations. By decoupling representation learning from physics-informed transient dynamics, our work establishes a scalable paradigm for probabilistic modeling of multi-dimensional, parameterized stochastic systems.

physics.comp-ph

FedBCD:Communication-Efficient Accelerated Block Coordinate Gradient Descent for Federated Learning

Although Federated Learning has been widely studied in recent years, there are still high overhead expenses in each communication round for large-scale models such as Vision Transformer. To lower the communication complexity, we propose a novel Federated Block Coordinate Gradient Descent (FedBCGD) method for communication efficiency. The proposed method splits model parameters into several blocks, including a shared block and enables uploading a specific parameter block by each client, which can significantly reduce communication overhead. Moreover, we also develop an accelerated FedBCGD algorithm (called FedBCGD+) with client drift control and stochastic variance reduction. To the best of our knowledge, this paper is the first work on parameter block communication for training large-scale deep models. We also provide the convergence analysis for the proposed algorithms. Our theoretical results show that the communication complexities of our algorithms are a factor $1/N$ lower than those of existing methods, where $N$ is the number of parameter blocks, and they enjoy much faster convergence than their counterparts. Empirical results indicate the superiority of the proposed algorithms compared to state-of-the-art algorithms. The code is available at https://github.com/junkangLiu0/FedBCGD.

cs.LG

FedNSAM:Consistency of Local and Global Flatness for Federated Learning

In federated learning (FL), multi-step local updates and data heterogeneity usually lead to sharper global minima, which degrades the performance of the global model. Popular FL algorithms integrate sharpness-aware minimization (SAM) into local training to address this issue. However, in the high data heterogeneity setting, the flatness in local training does not imply the flatness of the global model. Therefore, minimizing the sharpness of the local loss surfaces on the client data does not enable the effectiveness of SAM in FL to improve the generalization ability of the global model. We define the \textbf{flatness distance} to explain this phenomenon. By rethinking the SAM in FL and theoretically analyzing the \textbf{flatness distance}, we propose a novel \textbf{FedNSAM} algorithm that accelerates the SAM algorithm by introducing global Nesterov momentum into the local update to harmonize the consistency of global and local flatness. \textbf{FedNSAM} uses the global Nesterov momentum as the direction of local estimation of client global perturbations and extrapolation. Theoretically, we prove a tighter convergence bound than FedSAM by Nesterov extrapolation. Empirically, we conduct comprehensive experiments on CNN and Transformer models to verify the superior performance and efficiency of \textbf{FedNSAM}. The code is available at https://github.com/junkangLiu0/FedNSAM.

cs.LG

Taming Preconditioner Drift: Unlocking the Potential of Second-Order Optimizers for Federated Learning on Non-IID Data

Second-order optimizers can significantly accelerate large-scale training, yet their naive federated variants are often unstable or even diverge on non-IID data. We show that a key culprit is \emph{preconditioner drift}: client-side second-order training induces heterogeneous \emph{curvature-defined geometries} (i.e., preconditioner coordinate systems), and server-side model averaging updates computed under incompatible metrics, corrupting the global descent direction. To address this geometric mismatch, we propose \texttt{FedPAC}, a \emph{preconditioner alignment and correction} framework for reliable federated second-order optimization. \texttt{FedPAC} explicitly decouples parameter aggregation from geometry synchronization by: (i) \textbf{Alignment} (i.e.,aggregating local preconditioners into a global reference and warm-starting clients via global preconditioner); and (ii) \textbf{Correction} (i.e., steering local preconditioned updates using a global preconditioned direction to suppress long-term drift). We provide drift-coupled non-convex convergence guarantees with linear speedup under partial participation. Empirically, \texttt{FedPAC} consistently improves stability and accuracy across vision and language tasks, achieving up to $5.8\%$ absolute accuracy gain on CIFAR-100 with ViTs. Code is available at https://anonymous.4open.science/r/FedPAC-8B24.

cs.LG

FedAdamW: A Communication-Efficient Optimizer with Convergence and Generalization Guarantees for Federated Large Models

AdamW has become one of the most effective optimizers for training large-scale models. We have also observed its effectiveness in the context of federated learning (FL). However, directly applying AdamW in federated learning settings poses significant challenges: (1) due to data heterogeneity, AdamW often yields high variance in the second-moment estimate $\boldsymbol{v}$; (2) the local overfitting of AdamW may cause client drift; and (3) Reinitializing moment estimates ($\boldsymbol{v}$, $\boldsymbol{m}$) at each round slows down convergence. To address these challenges, we propose the first \underline{Fed}erated \underline{AdamW} algorithm, called \texttt{FedAdamW}, for training and fine-tuning various large models. \texttt{FedAdamW} aligns local updates with the global update using both a \textbf{local correction mechanism} and decoupled weight decay to mitigate local overfitting. \texttt{FedAdamW} efficiently aggregates the \texttt{mean} of the second-moment estimates to reduce their variance and reinitialize them. Theoretically, we prove that \texttt{FedAdamW} achieves a linear speedup convergence rate of $\mathcal{O}(\sqrt{(L Δσ_l^2)/(S K R ε^2)}+(L Δ)/R)$ without \textbf{heterogeneity assumption}, where $S$ is the number of participating clients per round, $K$ is the number of local iterations, and $R$ is the total number of communication rounds. We also employ PAC-Bayesian generalization analysis to explain the effectiveness of decoupled weight decay in local training. Empirically, we validate the effectiveness of \texttt{FedAdamW} on language and vision Transformer models. Compared to several baselines, \texttt{FedAdamW} significantly reduces communication rounds and improves test accuracy. The code is available in https://github.com/junkangLiu0/FedAdamW.

cs.LG

ClothHMR: 3D Mesh Recovery of Humans in Diverse Clothing from Single Image

With 3D data rapidly emerging as an important form of multimedia information, 3D human mesh recovery technology has also advanced accordingly. However, current methods mainly focus on handling humans wearing tight clothing and perform poorly when estimating body shapes and poses under diverse clothing, especially loose garments. To this end, we make two key insights: (1) tailoring clothing to fit the human body can mitigate the adverse impact of clothing on 3D human mesh recovery, and (2) utilizing human visual information from large foundational models can enhance the generalization ability of the estimation. Based on these insights, we propose ClothHMR, to accurately recover 3D meshes of humans in diverse clothing. ClothHMR primarily consists of two modules: clothing tailoring (CT) and FHVM-based mesh recovering (MR). The CT module employs body semantic estimation and body edge prediction to tailor the clothing, ensuring it fits the body silhouette. The MR module optimizes the initial parameters of the 3D human mesh by continuously aligning the intermediate representations of the 3D mesh with those inferred from the foundational human visual model (FHVM). ClothHMR can accurately recover 3D meshes of humans wearing diverse clothing, precisely estimating their body shapes and poses. Experimental results demonstrate that ClothHMR significantly outperforms existing state-of-the-art methods across benchmark datasets and in-the-wild images. Additionally, a web application for online fashion and shopping powered by ClothHMR is developed, illustrating that ClothHMR can effectively serve real-world usage scenarios. The code and model for ClothHMR are available at: \url{https://github.com/starVisionTeam/ClothHMR}.

cs.CV

Smile on the Face, Sadness in the Eyes: Bridging the Emotion Gap with a Multimodal Dataset of Eye and Facial Behaviors

Emotion Recognition (ER) is the process of analyzing and identifying human emotions from sensing data. Currently, the field heavily relies on facial expression recognition (FER) because visual channel conveys rich emotional cues. However, facial expressions are often used as social tools rather than manifestations of genuine inner emotions. To understand and bridge this gap between FER and ER, we introduce eye behaviors as an important emotional cue and construct an Eye-behavior-aided Multimodal Emotion Recognition (EMER) dataset. To collect data with genuine emotions, spontaneous emotion induction paradigm is exploited with stimulus material, during which non-invasive eye behavior data, like eye movement sequences and eye fixation maps, is captured together with facial expression videos. To better illustrate the gap between ER and FER, multi-view emotion labels for mutimodal ER and FER are separately annotated. Furthermore, based on the new dataset, we design a simple yet effective Eye-behavior-aided MER Transformer (EMERT) that enhances ER by bridging the emotion gap. EMERT leverages modality-adversarial feature decoupling and a multitask Transformer to model eye behaviors as a strong complement to facial expressions. In the experiment, we introduce seven multimodal benchmark protocols for a variety of comprehensive evaluations of the EMER dataset. The results show that the EMERT outperforms other state-of-the-art multimodal methods by a great margin, revealing the importance of modeling eye behaviors for robust ER. To sum up, we provide a comprehensive analysis of the importance of eye behaviors in ER, advancing the study on addressing the gap between FER and ER for more robust ER performance. Our EMER dataset and the trained EMERT models will be publicly available at https://github.com/kejun1/EMER.

cs.CV

View-on-Graph: Zero-shot 3D Visual Grounding via Vision-Language Reasoning on Scene Graphs

3D visual grounding (3DVG) identifies objects in 3D scenes from language descriptions. Existing zero-shot approaches leverage 2D vision-language models (VLMs) by converting 3D spatial information (SI) into forms amenable to VLM processing, typically as composite inputs such as specified view renderings or video sequences with overlaid object markers. However, this VLM + SI paradigm yields entangled visual representations that compel the VLM to process entire cluttered cues, making it hard to exploit spatial semantic relationships effectively. In this work, we propose a new VLM x SI paradigm that externalizes the 3D SI into a form enabling the VLM to incrementally retrieve only what it needs during reasoning. We instantiate this paradigm with a novel View-on-Graph (VoG) method, which organizes the scene into a multi-modal, multi-layer scene graph and allows the VLM to operate as an active agent that selectively accesses necessary cues as it traverses the scene. This design offers two intrinsic advantages: (i) by structuring 3D context into a spatially and semantically coherent scene graph rather than confounding the VLM with densely entangled visual inputs, it lowers the VLM's reasoning difficulty; and (ii) by actively exploring and reasoning over the scene graph, it naturally produces transparent, step-by-step traces for interpretable 3DVG. Extensive experiments show that VoG achieves state-of-the-art zero-shot performance, establishing structured scene exploration as a promising strategy for advancing zero-shot 3DVG.

cs.CV

Flow-Guided Implicit Neural Representation for Motion-Aware Dynamic MRI Reconstruction

Dynamic magnetic resonance imaging (dMRI) captures temporally-resolved anatomy but is often challenged by limited sampling and motion-induced artifacts. Conventional motion-compensated reconstructions typically rely on pre-estimated optical flow, which is inaccurate under undersampling and degrades reconstruction quality. In this work, we propose a novel implicit neural representation (INR) framework that jointly models both the dynamic image sequence and its underlying motion field. Specifically, one INR is employed to parameterize the spatiotemporal image content, while another INR represents the optical flow. The two are coupled via the optical flow equation, which serves as a physics-inspired regularization, in addition to a data consistency loss that enforces agreement with k-space measurements. This joint optimization enables simultaneous recovery of temporally coherent images and motion fields without requiring prior flow estimation. Experiments on dynamic cardiac MRI datasets demonstrate that the proposed method outperforms state-of-the-art motion-compensated and deep learning approaches, achieving superior reconstruction quality, accurate motion estimation, and improved temporal fidelity. These results highlight the potential of implicit joint modeling with flow-regularized constraints for advancing dMRI reconstruction.

cs.CV

Unsupervised patch-based dynamic MRI reconstruction using learnable tensor function with implicit neural representation

Dynamic MRI suffers from limited spatiotemporal resolution due to long acquisition times. Undersampling k-space accelerates imaging but makes accurate reconstruction challenging. Supervised deep learning methods achieve impressive results but rely on large fully sampled datasets, which are difficult to obtain. Recently, implicit neural representations (INR) have emerged as a powerful unsupervised paradigm that reconstructs images from a single undersampled dataset without external training data. However, existing INR-based methods still face challenges when applied to highly undersampled dynamic MRI, mainly due to their inefficient representation capacity and high computational cost. To address these issues, we propose TenF-INR, a novel unsupervised framework that integrates low-rank tensor modeling with INR, where each factor matrix in the tensor decomposition is modeled as a learnable factor function. Specifically,we employ INR to model learnable tensor functions within a low-rank decomposition, reducing the parameter space and computational burden. A patch-based nonlocal tensor modeling strategy further exploits temporal correlations and inter-patch similarities, enhancing the recovery of fine spatiotemporal details. Experiments on dynamic cardiac and abdominal datasets demonstrate that TenF-INR achieves up to 21-fold acceleration, outperforming both supervised and unsupervised state-of-the-art methods in image quality, temporal fidelity, and quantitative accuracy.

eess.IV

When Genes Speak: A Semantic-Guided Framework for Spatially Resolved Transcriptomics Data Clustering

Spatial transcriptomics enables gene expression profiling with spatial context, offering unprecedented insights into the tissue microenvironment. However, most computational models treat genes as isolated numerical features, ignoring the rich biological semantics encoded in their symbols. This prevents a truly deep understanding of critical biological characteristics. To overcome this limitation, we present SemST, a semantic-guided deep learning framework for spatial transcriptomics data clustering. SemST leverages Large Language Models (LLMs) to enable genes to "speak" through their symbolic meanings, transforming gene sets within each tissue spot into biologically informed embeddings. These embeddings are then fused with the spatial neighborhood relationships captured by Graph Neural Networks (GNNs), achieving a coherent integration of biological function and spatial structure. We further introduce the Fine-grained Semantic Modulation (FSM) module to optimally exploit these biological priors. The FSM module learns spot-specific affine transformations that empower the semantic embeddings to perform an element-wise calibration of the spatial features, thus dynamically injecting high-order biological knowledge into the spatial context. Extensive experiments on public spatial transcriptomics datasets show that SemST achieves state-of-the-art clustering performance. Crucially, the FSM module exhibits plug-and-play versatility, consistently improving the performance when integrated into other baseline methods.

cs.LG

Self-supervised Deep Unrolled Model with Implicit Neural Representation Regularization for Accelerating MRI Reconstruction

Magnetic resonance imaging (MRI) is a vital clinical diagnostic tool, yet its application is limited by prolonged scan times. Accelerating MRI reconstruction addresses this issue by reconstructing high-fidelity MR images from undersampled k-space measurements. In recent years, deep learning-based methods have demonstrated remarkable progress. However, most methods rely on supervised learning, which requires large amounts of fully-sampled training data that are difficult to obtain. This paper proposes a novel zero-shot self-supervised reconstruction method named UnrollINR, which enables scan-specific MRI reconstruction without external training data. UnrollINR adopts a physics-guided unrolled reconstruction architecture and introduces implicit neural representation (INR) as a regularization prior to effectively constrain the solution space. This method overcomes the local bias limitation of CNNs in traditional deep unrolled methods and avoids the instability associated with relying solely on INR's implicit regularization in highly ill-posed scenarios. Consequently, UnrollINR significantly improves MRI reconstruction performance under high acceleration rates. Experimental results show that even at a high acceleration rate of 10, UnrollINR achieves superior reconstruction performance compared to supervised and self-supervised learning methods, validating its effectiveness and superiority.

cs.CV

FedMuon: Accelerating Federated Learning with Matrix Orthogonalization

The core bottleneck of Federated Learning (FL) lies in the communication rounds. That is, how to achieve more effective local updates is crucial for reducing communication rounds. Existing FL methods still primarily use element-wise local optimizers (Adam/SGD), neglecting the geometric structure of the weight matrices. This often leads to the amplification of pathological directions in the weights during local updates, leading deterioration in the condition number and slow convergence. Therefore, we introduce the Muon optimizer in local, which has matrix orthogonalization to optimize matrix-structured parameters. Experimental results show that, in IID setting, Local Muon significantly accelerates the convergence of FL and reduces communication rounds compared to Local SGD and Local AdamW. However, in non-IID setting, independent matrix orthogonalization based on the local distributions of each client induces strong client drift. Applying Muon in non-IID FL poses significant challenges: (1) client preconditioner leading to client drift; (2) moment reinitialization. To address these challenges, we propose a novel Federated Muon optimizer (FedMuon), which incorporates two key techniques: (1) momentum aggregation, where clients use the aggregated momentum for local initialization; (2) local-global alignment, where the local gradients are aligned with the global update direction to significantly reduce client drift. Theoretically, we prove that \texttt{FedMuon} achieves a linear speedup convergence rate without the heterogeneity assumption, where $S$ is the number of participating clients per round, $K$ is the number of local iterations, and $R$ is the total number of communication rounds. Empirically, we validate the effectiveness of FedMuon on language and vision models. Compared to several baselines, FedMuon significantly reduces communication rounds and improves test accuracy.

cs.LG

DP-FedPGN: Finding Global Flat Minima for Differentially Private Federated Learning via Penalizing Gradient Norm

To prevent inference attacks in Federated Learning (FL) and reduce the leakage of sensitive information, Client-level Differentially Private Federated Learning (CL-DPFL) is widely used. However, current CL-DPFL methods usually result in sharper loss landscapes, which leads to a decrease in model generalization after differential privacy protection. By using Sharpness Aware Minimization (SAM), the current popular federated learning methods are to find a local flat minimum value to alleviate this problem. However, the local flatness may not reflect the global flatness in CL-DPFL. Therefore, to address this issue and seek global flat minima of models, we propose a new CL-DPFL algorithm, DP-FedPGN, in which we introduce a global gradient norm penalty to the local loss to find the global flat minimum. Moreover, by using our global gradient norm penalty, we not only find a flatter global minimum but also reduce the locally updated norm, which means that we further reduce the error of gradient clipping. From a theoretical perspective, we analyze how DP-FedPGN mitigates the performance degradation caused by DP. Meanwhile, the proposed DP-FedPGN algorithm eliminates the impact of data heterogeneity and achieves fast convergence. We also use Rényi DP to provide strict privacy guarantees and provide sensitivity analysis for local updates. Finally, we conduct effectiveness tests on both ResNet and Transformer models, and achieve significant improvements in six visual and natural language processing tasks compared to existing state-of-the-art algorithms. The code is available at https://github.com/junkangLiu0/DP-FedPGN

cs.LG

A Technical Report on the Second Place Solution for the CIKM 2025 AnalytiCup Competition

In this work, we address the challenge of multilingual category relevance judgment in e-commerce search, where traditional ensemble-based systems improve accuracy but at the cost of heavy training, inference, and maintenance complexity. To overcome this limitation, we propose a simplified yet effective framework that leverages prompt engineering with Chain-of-Thought task decomposition to guide reasoning within a single large language model. Specifically, our approach decomposes the relevance judgment process into four interpretable subtasks: translation, intent understanding, category matching, and relevance judgment -- and fine-tunes a base model (Qwen2.5-14B) using Low-Rank Adaptation (LoRA) for efficient adaptation. This design not only reduces computational and storage overhead but also enhances interpretability by explicitly structuring the model's reasoning path. Experimental results show that our single-model framework achieves competitive accuracy and high inference efficiency, processing 20 samples per second on a single A100 GPU. In the CIKM 2025 AnalytiCup Competition Proposals, our method achieved 0.8902 on the public leaderboard and 0.8889 on the private leaderboard, validating the effectiveness and robustness of the proposed approach. These results highlight that structured prompting combined with lightweight fine-tuning can outperform complex ensemble systems, offering a new paradigm for scalable industrial AI applications.

cs.IR

Accurate myocardial T1 mapping at 5T using an improved MOLLI method: A validation study

Background: Accurate myocardial T1 mapping at 5T remains a technical challenge due to field inhomogeneity and prolonged T1 values. The aim of this study is to develop an accurate and clinically applicable myocardial T1 mapping technique for 5T magnetic resonance imaging (MRI) systems and validate its performance in a multicenter study. Methods: The proposed method is based on a 5-(3)-3 MOLLI sequence, dubbed combined-correction MOLLI (coMOLLI), which corrects for both inversion efficiency and readout-induced signal disturbances. Specifically, coMOLLI employs a gradient recalled echo (GRE) readout rather than the commonly used bSSFP readout. Its signal evolution is modeled to estimate T1 values, which incorporates both inversion efficiency and readout disturbances to improve fitting accuracy. To further enhance accuracy, the inversion pulse was redesigned under hardware constraints and the observed B0 and B1 variations over the heart at 5T, using adiabatic hyperbolic secant (HSn) and tangent/hyperbolic tangent (Tan/Tanh) pulses. The method was validated in phantom experiments, as well as in 21 healthy volunteers and 9 patients. Results: The optimized inversion pulse at 5T is the Tan/Tanh pulse with A = 10 kHz, K_s = 4, k = 22, and T_p = 8 ms. In phantom studies, coMOLLI showed high accuracy versus reference IR-FSE, yielding relative errors within 5% for all nine vials. In vivo studies, the average native myocardial T1 values across 21 healthy volunteers were 1468 +/- 48 ms, 1514 +/- 39 ms, and 1545 +/- 50 ms, and blood T1 values were 2182 +/- 132 ms, 2124 +/- 153 ms, and 2131 +/- 158 ms for apical, middle, and base slices, respectively. Conclusion: The coMOLLI method demonstrated high accuracy in phantom studies and feasibility in vivo studies. By adopting the widely used 5-(3)-3 MOLLI acquisition scheme, it shows potential for clinical cardiac imaging at 5T.

physics.med-ph