arXiv subjects

Weifeng Huang

Publications and source records attributed to Weifeng Huang.

7 recordsLinked to original sources

arXiv2026

Multi-dimensional training-priority weighting based on physical information propagation paths: a unified residual-weighting framework for physics-informed neural networks

Physics-informed neural networks (PINNs) have shown promise for solving partial differential equations (PDEs); however, their synchronous optimization treats residuals of different regions and constraints equally, which is inconsistent with the progressive "from source to response" physical information propagation path, degrading training stability and accuracy. Existing causal training methods focus mainly on the temporal dimension, lacking a unified characterization of spatial and boundary dimensions. To address this, we define a unified class of training priorities according to the physical information propagation path: premise regions should be learned before dependent regions; temporal, spatial, and boundary priorities are instances of this principle. Using neural tangent kernel (NTK) dynamics, we theoretically analyze why standard PINNs do not obey this priority: their residual convergence order is governed by the NTK spectrum and is independent of the propagation path. Accordingly, we propose a unified multi-dimensional priority-constraint framework that partitions the domain along the propagation path and constructs negative-exponential residual weights, converting the physical propagation order into a training priority. For cases with coexisting priorities, we introduce a directional compatibility coefficient to clarify that "orthogonal directions can be coupled multiplicatively in synergy, whereas coaxial opposite directions cannot." Benchmark cases show that this method consistently improves the convergence behavior and prediction accuracy of PINNs on problems with clear propagation paths or constraint-dominated structures, without modifying the network architecture and with controllable additional computational cost.

cs.LG↗

arXiv2026

NatureBench: Can Coding Agents Match the Published SOTA of Nature-Family Papers?

We introduce NatureBench, a cross-discipline benchmark of 90 tasks distilled from peer-reviewed Nature-family publications, designed to evaluate whether AI coding agents can move beyond reproduction toward discovery on real scientific problems. NatureBench is built on NatureGym, an automated pipeline that constructs a standardized, per-task containerized environment from a source paper, addressing the environment-fragmentation problem that has limited the credibility of prior agent-on-research benchmarks. Evaluating ten frontier agent configurations under a strict web-search-disabled protocol, we find that the strongest model surpasses SOTA on only 17.8% of tasks under the g>0.1 criterion. Analysis of method pathways reveals that agents succeed primarily through methodological translation, converting scientific tasks into familiar supervised prediction problems, rather than through genuine scientific invention. Failures are dominated by wrong method choice and insufficient compute budget, not by task misunderstanding. We release the benchmark, the NatureGym pipeline, and a public leaderboard with maintainer-side reproduction. Code: https://github.com/FrontisAI/NatureBench

cs.CL↗

arXiv2025

ViPSN 2.0: A Reconfigurable Battery-free IoT Platform for Vibration Energy Harvesting

Vibration energy harvesting is a promising solution for powering battery-free IoT systems; however, the instability of ambient vibrations presents significant challenges, such as limited harvested energy, intermittent power supply, and poor adaptability to various applications. To address these challenges, this paper proposes ViPSN2.0, a modular and reconfigurable IoT platform that supports multiple vibration energy harvesters (piezoelectric, electromagnetic, and triboelectric) and accommodates sensing tasks with varying application requirements through standardized hot-swappable interfaces. ViPSN~2.0 incorporates an energy-indication power management framework tailored to various application demands, including light-duty discrete sampling, heavy-duty high-power sensing, and complex-duty streaming tasks, thereby effectively managing fluctuating energy availability. The platform's versatility and robustness are validated through three representative applications: ViPSN-Beacon, enabling ultra-low-power wireless beacon transmission from a single transient fingertip press; ViPSN-LoRa, supporting high-power, long-range wireless communication powered by wave vibrations in actual marine environments; and ViPSN-Cam, enabling intermittent image capture and wireless transfer. Experimental results demonstrate that ViPSN~2.0 can reliably meet a wide range of requirements in practical battery-free IoT deployments under energy-constrained conditions.

cs.AR↗

arXiv2025

Over-PINNs: Enhancing Physics-Informed Neural Networks via Higher-Order Partial Derivative Overdetermination of PDEs

Partial differential equations (PDEs) serve as the cornerstone of mathematical physics. In recent years, Physics-Informed Neural Networks (PINNs) have significantly reduced the dependence on large datasets by embedding physical laws directly into the training of neural networks. However, when dealing with complex problems, the accuracy of PINNs still has room for improvement. To address this issue, we introduce the Over-PINNs framework, which leverages automatic differentiation (AD) to generate higher-order auxiliary equations that impose additional physical constraints. These equations are incorporated as extra loss terms in the training process, effectively enhancing the model's ability to capture physical information through an "overdetermined" approach. Numerical results illustrate that this method exhibits strong versatility in solving various types of PDEs. It achieves a significant improvement in solution accuracy without incurring substantial additional computational costs.

cs.LG↗

arXiv2025

A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization

Generating molecules that bind to specific protein targets via diffusion models has shown good promise for structure-based drug design and molecule optimization. Especially, the diffusion models with binding interaction guidance enables molecule generation with high affinity through forming favorable interaction within protein pocket. However, the generated molecules may not form interactions with the highly conserved residues, which are important for protein functions and bioactivities of the ligands. Herein, we developed a new 3D target-aware diffusion model DiffDecip, which explicitly incorporates the protein-ligand binding interactions and evolutionary conservation information of protein residues into both diffusion and sampling process, for molecule optimization through scaffold decoration. The model performance revealed that DiffDecip outperforms baseline model DiffDec on molecule optimization towards higher affinity through forming more non-covalent interactions with highly conserved residues in the protein pocket.

cs.LG↗

arXiv2025

A 3D pocket-aware and affinity-guided diffusion model for lead optimization

Molecular optimization, aimed at improving binding affinity or other molecular properties, is a crucial task in drug discovery that often relies on the expertise of medicinal chemists. Recently, deep learning-based 3D generative models showed promise in enhancing the efficiency of molecular optimization. However, these models often struggle to adequately consider binding affinities with protein targets during lead optimization. Herein, we propose a 3D pocket-aware and affinity-guided diffusion model, named Diffleop, to optimize molecules with enhanced binding affinity. The model explicitly incorporates the knowledge of protein-ligand binding affinity to guide the denoising sampling for molecule generation with high affinity. The comprehensive evaluations indicated that Diffleop outperforms baseline models across multiple metrics, especially in terms of binding affinity.

cs.LG↗

arXiv2022

HL-nets: Physics-informed neural networks for hydrodynamic lubrication with cavitation

Recently, physics-informed neural networks (PINNs) have emerged as a promising method for solving partial differential equations (PDEs). In this study, we establish a deep learning computational framework, HL-nets, for computing the flow field of hydrodynamic lubrication involving cavitation effects. Two classical cavitation conditions, i.e., the Swift-Stieber (SS) condition and the Jakobsson-Floberg-Olsson (JFO) condition, are implemented in the PINNs to solve the Reynolds equation. For the non-negativity constraint of the SS cavitation condition, a penalizing scheme with a residual of the non-negativity and an imposing scheme with a continuous differentiable non-negative function are proposed. For the complementarity constraint of the JFO cavitation condition, the pressure and cavitation fraction are taken as the neural network outputs, and the residual of the Fischer-Burmeister (FB) equation constrains their complementary relationships. Multi-task learning (MTL) methods are applied to balance the newly introduced loss terms described above. To estimate the accuracy of HL-nets, we present a numerical solution of the Reynolds equation for oil-lubricated bearings involving cavitation. The results indicate that the proposed HL-nets can highly accurately simulate hydrodynamic lubrication involving cavitation phenomena. The imposing scheme can effectively improve the accuracy of the training results of PINNs, and it is expected to have great potential to be applied to different fields where the non-negativity constraint is needed.

physics.flu-dyn↗