arXiv subjects

Ye Su

Publications and source records attributed to Ye Su.

16 recordsLinked to original sources

arXiv2026

Hierarchical Flow Matching for 3D Point Cloud Generation

Generating high-quality 3D point clouds requires capturing both global shape topology and local geometric details. Existing flow-based methods rely on continuous normalizing flows (CNFs) that demand expensive ODE solving and trace estimation during training, while diffusion models require hundreds of iterative denoising steps. Moreover, most approaches adopt single-level generation directly in point space, disregarding the hierarchical structure natural to 3D shapes. We propose Hierarchical Flow Matching (HFM) that extends flow matching to bilevel structure for unconditional 3D point cloud generation. HFM decomposes the task into two levels via optimal-transport flow matching: a \textit{Latent Flow Matching} models the global shape manifold in a compact latent space, and a \textit{Conditional Point Flow Matching} reconstructs detailed point clouds conditioned on the latent code. Both flows are trained with simple MSE regression losses. The resulting straight OT paths enable efficient sampling with as few as 15 Euler steps per flow, while the structured latent space supports downstream tasks including classification. Extensive experiments on ShapeNet and ModelNet benchmarks demonstrate that HFM achieves competitive or even best performance compared with prior state-of-the-art methods.

cs.CV↗

arXiv2026

Reducing Learner Redundancy in Boosting via Residual Orthogonalization

While sequential residual fitting is the bedrock of standard boosting frameworks, it inherently breeds learner redundancy by repeatedly revisiting correlated error components. To address this bottleneck, we propose a shift from residual fitting to \textit{residual orthogonalization} and introduce SCBoost. Our framework tackles redundancy through two complementary mechanisms: Spectral Residual Projection (SRP) and Covariance-Regularized Weighting (CRW). During training, SRP projects each residual target onto the orthogonal complement of the historical prediction subspace, forcing successive learners to capture only novel empirical innovations. During aggregation, CRW optimizes ensemble weights on a validation set with an explicit covariance penalty to mitigate remaining correlations. Theoretically, we provide a finite-sample geometric characterization proving that SRP yields an exact additive residual-energy decomposition. Furthermore, under an isotropic-noise assumption, we rigorously establish the conditions under which this projection improves the effective Signal-to-Noise Ratio. Extensive experiments across ten benchmark datasets demonstrate that SCBoost delivers strong out-of-the-box performance, particularly in accuracy and F1 score. This work reinterprets boosting through a geometric lens, suggesting that explicit redundancy control is a principled and necessary step toward more efficient ensemble architectures.

cs.LG↗

arXiv2026

When Does $\ell_2$-Boosting Overfit Benignly? High-Dimensional Risk Asymptotics and the $\ell_1$ Implicit Bias

Benign overfitting is well-characterized in $\ell_2$ geometries, but its behavior under the $\ell_1$ implicit bias of greedy ensembles remains challenging. The analytical barrier stems from the non-linear coupling of coordinate selection thresholds, which invalidates standard spectral resolvent tools. To isolate this algorithmic bias, we characterize the high-dimensional risk of continuous-time $\ell_2$-Boosting over $p$ features and $n$ samples. By coupling the Convex Gaussian Minimax Theorem with delicate asymptotic expansions of double-sided truncated Gaussian moments, we analytically resolve the non-smooth $\ell_1$ interpolant. Under an isotropic pure-noise model, we prove that benign overfitting fails at the linear rate: greedy selection localizes noise into sparse active sets, and the excess variance decays at a logarithmic rate $\Theta(\sigma^2/\log(p/n))$ for noise variance $\sigma^2$. We remark that while this localization mechanism should persist in the presence of signals, the exact signal-noise decomposition remains an open problem. For spiked-isotropic designs with $k^*$ head eigenvalues and $r_2 = p - k^*$ tail dimensions, the risk converges to zero when $r_{2} \gg n$, but only at a logarithmic rate $\Theta(\sigma^2/\log(r_2/n))$, which is slower than the linear decay observed in $\ell_2$ geometries. To avoid this slow convergence, we analyze the non-smooth subdifferential dynamics of the boosting flow. This yields a tuning-free early stopping rule that, under a bounded $\ell_1$-path condition, recovers the Lasso basic inequality and attains the minimax-optimal empirical prediction rate for $\ell_1$-bounded signals.

cs.LG↗

arXiv2026

ITBoost: Information-Theoretic Trust for Robust Boosting

Gradient boosting remains a strong and widely used method for tabular data learning, but its performance often degrades when training labels are noisy. This behavior is largely related to the way boosting algorithms emphasize samples with large gradients, without explicitly accounting for whether such errors originate from informative hard cases or from unreliable labels. We address this issue by reconsidering how sample reliability is evaluated during boosting. Instead of relying on instantaneous error, we examine the evolution of each sample's residuals across iterations. Based on this insight, we propose Information-Theoretic Trust Boosting (ITBoost), which uses the Minimum Description Length principle to measure the complexity of residual trajectories. Samples whose residual patterns fluctuate in an irregular manner are treated as less trustworthy and are down-weighted during learning. Theoretically, we derive a tighter generalization bound for ITBoost under label noise. Empirical results on various tabular benchmarks indicate that ITBoost provides improved robustness in noisy environments over leading boosting and deep tabular models, while retaining best average performance on clean data.

cs.LG↗

arXiv2026

Geometric Capacity of Transformers: A Tropical Geometry Perspective

To quantify the geometric capacity of transformers, we develop a tropical-geometric framework for analyzing the spatial partitions induced by conditioned self-attention. In the zero-temperature limit, we show that fixed-key top-$1$ routing is exactly represented by a power diagram in query space, while an auxiliary log-lifted value parameterization yields a vector-valued tropical rational representation. For Multi-Head Self-Attention (MHSA) with sequence length $N$ and $H$ attention heads, the joint routing geometry is encoded by Minkowski sums of headwise Newton polytopes, giving an $\mathcal{O}(N^H)$ universal bound that sharpens to $\mathcal{O}((HN)^{d_{\mathrm{model}}-1})$ once the number of heads reaches the intrinsic dimension $d_{\mathrm{model}}$. Extending this analysis across depth $L$, we derive the first tight asymptotic bounds on the number of linear regions in transformers ($\Theta\!\left(N^{\min\{H,d_{\mathrm{model}}-1\}L}\right)$). We further show that finite-temperature softmax preserves the top-$1$ routing structure and admits exponentially decaying local approximation and differential bounds away from routing boundaries.

cs.LG↗

arXiv2026

Exact Finite-Sample Variance Decomposition of Subagging: A Spectral Filtering Perspective

Standard resampling ratios (e.g., $\alpha \approx 0.632$) are widely used as default baselines in ensemble learning for three decades. However, how these ratios interact with a base learner's intrinsic functional complexity in finite samples lacks a exact mathematical characterization. We leverage the Hoeffding-ANOVA decomposition to derive the first exact, finite-sample variance decomposition for subagging, applicable to any symmetric base learner without requiring asymptotic limits or smoothness assumptions. We establish that subagging operates as a deterministic low-pass spectral filter: it preserves low-order structural signals while attenuating $c$-th order interaction variance by a geometric factor approaching $\alpha^c$. This decoupling reveals why default baselines often under-regularize high-capacity interpolators, which instead require smaller $\alpha$ to exponentially suppress spurious high-order noise. To operationalize these insights, we propose a complexity-guided adaptive subsampling algorithm, empirically demonstrating that dynamically calibrating $\alpha$ to the learner's complexity spectrum consistently improves generalization over static baselines.

cs.LG↗

arXiv2026

Sparsity is Combinatorial Depth: Quantifying MoE Expressivity via Tropical Geometry

While Mixture-of-Experts (MoE) architectures define the state-of-the-art, their theoretical success is often attributed to heuristic efficiency rather than geometric expressivity. In this work, we present the first analysis of MoE through the lens of tropical geometry, establishing that the Top-$k$ routing mechanism is algebraically isomorphic to the $k$-th elementary symmetric tropical polynomial. This isomorphism partitions the input space into the Normal Fan of a Hypersimplex, revealing that \textbf{sparsity is combinatorial depth} which scales geometric capacity by the binomial coefficient $\binom{N}{k}$. Moving beyond ambient bounds, we introduce the concept of \textit{Effective Capacity} under the Manifold Hypothesis. We prove that while dense networks suffer from capacity collapse on low-dimensional data, MoE architectures exhibit \textit{Combinatorial Resilience}, maintaining high expressivity via the transversality of routing cones. Translating these theoretical bounds into architectural principles, we derive asymptotic capacity limits for optimal expert granularity and prove that shared experts are geometrically necessary to prevent routing collapse.

cs.LG↗

arXiv2026

Effective Frontiers: A Unification of Neural Scaling Laws

Neural scaling laws govern the prediction power-law improvement of test loss with respect to model capacity ($N$), datasize ($D$), and compute ($C$). However, existing theoretical explanations often rely on specific architectures or complex kernel methods, lacking intuitive universality. In this paper, we propose a unified framework that abstracts general learning tasks as the progressive coverage of patterns from a long-tail (Zipfian) distribution. We introduce the Effective Frontier ($k_\star$), a threshold in the pattern rank space that separates learned knowledge from the unlearned tail. We prove that reducible loss is asymptotically determined by the probability mass of the tail a resource-dependent frontier truncation. Based on our framework, we derive the precise scaling laws for $N$, $D$, and $C$, attributing them to capacity, coverage, and optimization bottlenecks, respectively. Furthermore, we unify these mechanisms via a Max-Bottleneck principle, demonstrating that the Kaplan and Chinchilla scaling laws are not contradictory, but equilibrium solutions to the same constrained optimization problem under different active bottlenecks.

cs.LG↗

arXiv2026

Variational Inference, Entropy, and Orthogonality: A Unified Theory of Mixture-of-Experts

Mixture-of-Experts models enable large language models to scale efficiently, as they only activate a subset of experts for each input. Their core mechanisms, Top-k routing and auxiliary load balancing, remain heuristic, however, lacking a cohesive theoretical underpinning to support them. To this end, we build the first unified theoretical framework that rigorously derives these practices as optimal sparse posterior approximation and prior regularization from a Bayesian perspective, while simultaneously framing them as mechanisms to minimize routing ambiguity and maximize channel capacity from an information-theoretic perspective. We also pinpoint the inherent combinatorial hardness of routing, defining it as the NP-hard sparse subset selection problem. We rigorously prove the existence of a "Coherence Barrier"; when expert representations exhibit high mutual coherence, greedy routing strategies theoretically fail to recover the optimal expert subset. Importantly, we formally verify that imposing geometric orthogonality in the expert feature space is sufficient to narrow the divide between the NP-hard global optimum and polynomial-time greedy approximation. Our comparative analyses confirm orthogonality regularization as the optimal engineering relaxation for large-scale models. Our work offers essential theoretical support and technical assurance for a deeper understanding and novel designs of MoE.

cs.LG↗

arXiv2025

Cell-cell Communication Inference and Analysis: Biological Mechanisms, Computational Approaches, and Future Opportunities

In multicellular organisms, cells coordinate their activities through cell-cell communication (CCC), which is crucial for development, tissue homeostasis, and disease progression. Recent advances in single-cell and spatial omics technologies provide unprecedented opportunities to systematically infer and analyze CCC from these omics data, either by integrating prior knowledge of ligand-receptor interactions (LRIs) or through de novo approaches. A variety of computational methods have been developed, focusing on methodological innovations, accurate modeling of complex signaling mechanisms, and investigation of broader biological questions. These advances have greatly enhanced our ability to analyze CCC and generate biological hypotheses. Here, we introduce the biological mechanisms and modeling strategies of CCC, and provide a focused overview of more than 140 computational methods for inferring CCC from single-cell and spatial transcriptomic data, emphasizing the diversity in methodological frameworks and biological questions. Finally, we discuss the current challenges and future opportunities in this rapidly evolving field, and summarize available methods in an interactive online resource (https://cellchat.whu.edu.cn) to facilitate more efficient method comparison and selection.

q-bio.QM↗

arXiv2025

Toward Robust Semi-supervised Regression via Dual-stream Knowledge Distillation

Semi-supervised regression (SSR), which aims to predict continuous scores for samples while reducing the reliance on large-scale labeled data, has recently attracted considerable attention across various applications, including computer vision, natural language processing, audio analysis, and medical analysis. Existing SSR methods typically train models with scarce labeled data by introducing constraint-based regularization or ordinal ranking to mitigate overfitting. However, these approaches often fail to fully exploit the abundance of unlabeled samples. Although consistency-driven pseudo-labeling methods attempt to incorporate unlabeled data, their performance is highly sensitive to pseudo-label quality and noisy predictions. To address these challenges, we propose a Dual-stream Knowledge Distillation framework (DKD), which is specifically designed for SSR to distill both continuous-valued knowledge and distributional information. This design better preserves regression magnitude information and improves sample efficiency. Specifically, in DKD, the teacher is optimized solely with ground-truth labels for label distribution estimation, while the student learns from a mixture of real labels and teacher-generated pseudo targets on unlabeled data. The distillation process enables effective supervision transfer, allowing the student to leverage pseudo labels more robustly. Furthermore, we introduce a Decoupled Distribution Alignment (DDA) module, which separately aligns the target and non-target distributions between the teacher and student. To improve the reliability of non-target knowledge transfer, DDA incorporates a variance-guided non-target distribution alignment strategy that adaptively downweights uncertain teacher predictions, thereby enhancing the student's ability to mitigate noise in pseudo-label supervision and learn a better-calibrated regression predictor.

cs.LG↗

arXiv2025

Lattice thermal conductivity of 16 elemental metals from molecular dynamics simulations with a unified neuroevolution potential

Metals play a crucial role in heat management in electronic devices, such as integrated circuits, making it vital to understand heat transport in elementary metals and alloys. In this work, we systematically study phonon thermal transport in 16 metals using the efficient homogeneous nonequilibrium molecular dynamics (HNEMD) method and the recently developed unified neuroevolution potential version 1 (UNEP-v1) for 16 metals and their alloys. We compare our results with existing ones based on the Boltzmann transport equation (BTE) approach and find that our HNEMD results align well with BTE results obtained by considering phonon-phonon scattering only. By contrast, HNEMD results based on the conventional embedded-atom method potential show less satisfactory agreement with BTE ones. Given the high accuracy of the UNEP-v1 model demonstrated in various metal alloys, we anticipate that the HNEMD method combined with the UNEP-v1 model will be a promising tool for exploring phonon thermal transport properties in complex systems such as high-entropy alloys.

cond-mat.mtrl-sci↗

arXiv2025

Temporal Gaussian Copula For Clinical Multivariate Time Series Data Imputation

The imputation of the Multivariate time series (MTS) is particularly challenging since the MTS typically contains irregular patterns of missing values due to various factors such as instrument failures, interference from irrelevant data, and privacy regulations. Existing statistical methods and deep learning methods have shown promising results in time series imputation. In this paper, we propose a Temporal Gaussian Copula Model (TGC) for three-order MTS imputation. The key idea is to leverage the Gaussian Copula to explore the cross-variable and temporal relationships based on the latent Gaussian representation. Subsequently, we employ an Expectation-Maximization (EM) algorithm to improve robustness in managing data with varying missing rates. Comprehensive experiments were conducted on three real-world MTS datasets. The results demonstrate that our TGC substantially outperforms the state-of-the-art imputation methods. Additionally, the TGC model exhibits stronger robustness to the varying missing ratios in the test dataset. Our code is available at https://github.com/MVL-Lab/TGC-MTS.

cs.LG↗

arXiv2025

Structural and transport properties of LiTFSI/G3 electrolyte with machine-learned molecular dynamics

The lithium bis(trifluoromethylsulfonyl)azanide-triglyme electrolyte plays a critical role in the performance of lithium-ion batteries. However, its solvation structure and transport properties at the atomic scale remain incompletely understood. In this study, we develop an efficient and accurate neuroevolution potential (NEP) model by integrating bootstrap and active learning strategies. Using machine-learned NEP-driven molecular dynamics simulations, we explore the structural and diffusion properties of LiTFSI/G3 across a wide range of the solute-to-solvent ratios, systematically analyzing electrolyte density, ion coordination, viscosity, and lithium self-diffusion. The computed densities show excellent agreement with experimental data, and pair correlation analysis reveals significant interactions between lithium ions and surrounding oxygen atoms, which strongly impacts Li$^+$ mobility. Viscosity and diffusion calculations further demonstrate that increasing LiTFSI concentration enhances Li-O interactions, resulting in higher viscosity and reduced lithium diffusion. Additionally, machine learning-based path integral molecular dynamics (PIMD) simulations confirm the negligible impact of quantum effects on Li$^+$ transport. The electrolyte-specific protocol developed in this work provides a systematic framework for constructing high-fidelity machine learning potentials for complex systems.

cond-mat.mtrl-sci↗

arXiv2025

EAGLE: Contextual Point Cloud Generation via Adaptive Continuous Normalizing Flow with Self-Attention

As 3D point clouds become the prevailing shape representation in computer vision, generating high-quality point clouds remains a challenging problem. Flow-based models have shown strong potential due to exact likelihood estimation and invertible mappings. However, existing flow-based methods for point clouds typically rely on point-wise feature extractors, which limits their ability to model long-range dependencies and global structural relationships among points. Inspired by the wide adoption of Transformers, we explored the complementary roles of self-attention mechanisms, CNN, and flow-based model. To this end, we propose EAGLE, a probabilistic generative model that integrates self-attention mechanisms with adaptive continuous normalizing flows. The self-attention module explicitly models pairwise dependencies among points, enabling effective capture of global contextual information. In addition, we introduce an adaptive bias correction mechanism within flow-based models, which dynamically adjusts to different input contexts and alleviates bias-drift issues. Extensive experiments on ShapeNet and ModelNet datasets demonstrate the effectiveness of our proposed method.

eess.SP↗

arXiv2021

Signal Acquisition of Luojia-1A Low Earth Orbit Navigation Augmentation System with Software Defined Receiver

Low earth orbit (LEO) satellite navigation signal can be used as an opportunity signal in case of a Global navigation satellite system (GNSS) outage, or as an enhancement means of traditional GNSS positioning algorithms. No matter which service mode is used, signal acquisition is the prerequisite of providing enhanced LEO navigation service. Compared with the medium orbit satellite, the transit time of the LEO satellite is shorter. Thus, it is of great significance to expand the successful acquisition time range of the LEO signal. Previous studies on LEO signal acquisition are based on simulation data. However, signal acquisition research based on real data is very important. In this work, the signal characteristics of LEO satellite: power space density in free space and the Doppler shift of LEO satellite are individually studied. The unified symbol definitions of several integration algorithms based on the parallel search signal acquisition algorithm are given. To verify these algorithms for LEO signal acquisition, a software-defined receiver (SDR) is developed. The performance of those integration algorithms on expanding the successful acquisition time range is verified by the real data collected from the Luojia-1A satellite. The experimental results show that the integration strategy can expand the successful acquisition time range, and it will not expand indefinitely with the integration duration.

eess.SP↗