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Yanli Li

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Published work

4 published item(s)

preprint2026arXiv

Optimal Look-back Horizon for Time Series Forecasting in Federated Learning

Selecting an appropriate look-back horizon remains a fundamental challenge in time series forecasting (TSF), particularly in the federated learning scenarios where data is decentralized, heterogeneous, and often non-independent. While recent work has explored horizon selection by preserving forecasting-relevant information in an intrinsic space, these approaches are primarily restricted to centralized and independently distributed settings. This paper presents a principled framework for adaptive horizon selection in federated time series forecasting through an intrinsic space formulation. We introduce a synthetic data generator (SDG) that captures essential temporal structures in client data, including autoregressive dependencies, seasonality, and trend, while incorporating client-specific heterogeneity. Building on this model, we define a transformation that maps time series windows into an intrinsic representation space with well-defined geometric and statistical properties. We then derive a decomposition of the forecasting loss into a Bayesian term, which reflects irreducible uncertainty, and an approximation term, which accounts for finite-sample effects and limited model capacity. Our analysis shows that while increasing the look-back horizon improves the identifiability of deterministic patterns, it also increases approximation error due to higher model complexity and reduced sample efficiency. We prove that the total forecasting loss is minimized at the smallest horizon where the irreducible loss starts to saturate, while the approximation loss continues to rise. This work provides a rigorous theoretical foundation for adaptive horizon selection for time series forecasting in federated learning.

preprint2026arXiv

PoseCompass: Intelligent Synthetic Pose Selection for Visual Localization

In visual localization, Absolute Pose Regression (APR) enables real-time 6-DoF camera pose inference from single images, yet critically depends on fine-tuning data quality and coverage. While recent methods leverage 3D Gaussian Splatting (3DGS) for novel view synthesis-based data augmentation, random sampling generates redundant views and noisy samples from poorly reconstructed regions. To mitigate this research gap, we propose PoseCompass, an intelligent pose selection pipeline for 3DGS-based APR. PoseCompass formulates synthetic pose selection and derives a value-based pose ranking mechanism to identify informative poses. The ranking integrates three dimensions: Localization Difficulty, favoring challenging regions; Coverage Novelty, exploring under-sampled areas; and Rendering Observability, filtering artifacts and noise. PoseCompass then generates trajectory-constrained candidates, selects the top-K ranked poses, and synthesizes views using 3DGS with lightweight diffusion-based alignment. Finally, the pose regressor is fine-tuned on mixed real and synthetic data. We evaluate PoseCompass on 7-Scenes, where it reduces adaptation time from 15.2 to 5.1 minutes, a 3x speedup, while cutting median pose errors by 53.8 percent and significantly outperforming random baselines.

preprint2011arXiv

Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations

Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-interaction density-functional corrections, are severely affected by computational inaccuracies in evaluating electron interactions in the plane-wave representation. These errors arise from divergence singularities in the plane-wave summation of electrostatic and exchange interaction contributions. Auxiliary-function corrections are reciprocal-space countercharge corrections that cancel plane-wave singularities through the addition of an auxiliary function to the point-charge electrostatic kernel that enters into the expression of interaction terms. At variance with real-space countercharge corrections that are employed in the context of density-functional theory (DFT), reciprocal-space corrections are computationally inexpensive, making them suited to more demanding OD-DFT calculations. Nevertheless, there exists much freedom in the choice of auxiliary functions and various definitions result in different levels of performance in eliminating plane-wave inaccuracies. In this work, we derive exact point-charge auxiliary functions for the description of molecular structures of arbitrary translational symmetry, including the yet unaddressed one-dimensional case. In addition, we provide a critical assessment of different reciprocal-space countercharge corrections and demonstrate the improved accuracy of point-charge auxiliary functions in predicting the electronic levels and electrical response of conjugated polymers from plane-wave OD-DFT calculations.

preprint2010arXiv

Koopmans' condition for density-functional theory

In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors that pervade many fundamental aspects of density-functional predictions. Here, we first examine self-interaction in terms of the discrepancy between total and partial electron removal energies, and then highlight the importance of imposing the generalized Koopmans' condition -- that identifies orbital energies as opposite total electron removal energies -- to resolve this discrepancy. In the process, we derive a correction to approximate functionals that, in the frozen-orbital approximation, eliminates the unphysical occupation dependence of orbital energies up to the third order in the single-particle densities. This non-Koopmans correction brings physical meaning to single-particle energies; when applied to common local or semilocal density functionals it provides results that are in excellent agreement with experimental data -- with an accuracy comparable to that of GW many-body perturbation theory -- while providing an explicit total energy functional that preserves or improves on the description of established structural properties.