arXiv subjects

Yongjia Xu

Publications and source records attributed to Yongjia Xu.

6 recordsLinked to original sources

arXiv2026

Hawk: Harnessing Hardware-Aware Knowledge for High-Performance NPU Kernel Generation

Developing high-performance kernels for Neural Processing Units (NPUs) is a critical industry bottleneck, requiring developers to manually navigate implicit hardware constraints and strict memory hierarchies. While large language models offer immense automation potential, they fail catastrophically on NPUs due to a fundamental lack of hardware-specific priors. Naively transplanting code snippets from similar NPU kernels may pass the compiler, but it consistently triggers runtime crashes and performance degradation by blindly violating underlying hardware constraints. To overcome this, we introduce Hawk, a training-free framework that harnesses hardware-aware knowledge through three core modules: (1) Run-Time Knowledge Synthesis Module, which employs a Triple-Part Executable Knowledge Representation to inherently couple the error context with executable semantics; (2) Bottleneck-Aware Knowledge Retrieval Module, which implements a 2D-Retrieval paradigm to project queries into orthogonal syntactic and hardware-aligned semantic spaces; and (3) Effect-Driven Knowledge Distillation Module, which leverages LLM-driven semantic arbitration to continuously distill the knowledge by pruning errors and consolidating redundancies based on the empirical execution feedback. Extensive evaluations on real-world NPU workloads demonstrate that Hawk elevates generation accuracy from 49.4% to 80.0%, while achieving up to a 2.2x execution speedup over state-of-the-art baselines.

cs.AI↗

arXiv2024

Temporal and Spacial Studies of Infectious Diseases: Mathematical Models and Numerical Solvers

The SIR model is a classical model characterizing the spreading of infectious diseases. This model describes the time-dependent quantity changes among Susceptible, Infectious, and Recovered groups. By introducing space-depend effects such as diffusion and creation in addition to the SIR model, the Fisher's model is in fact a more advanced and comprehensive model. However, the Fisher's model is much less popular than the SIR model in simulating infectious disease numerically due to the difficulties from the parameter selection, the involvement of 2-d/3-d spacial effects, the configuration of the boundary conditions, etc. This paper aim to address these issues by providing numerical algorithms involving space and time finite difference schemes and iterative methods, and its open-source Python code for solving the Fisher's model. This 2-D Fisher's solver is second order in space and up to the second order in time, which is rigorously verified using test cases with analytical solutions. Numerical algorithms such as SOR, implicit Euler, Staggered Crank-Nicolson, and ADI are combined to improve the efficiency and accuracy of the solver. It can handle various boundary conditions subject to different physical descriptions. In addition, real-world data of Covid-19 are used by the model to demonstrate its practical usage in providing prediction and inferences.

q-bio.QM↗

arXiv2023

Poisson-Boltzmann based machine learning (PBML) model for electrostatic analysis

Electrostatics is of paramount importance to chemistry, physics, biology, and medicine. The Poisson-Boltzmann (PB) theory is a primary model for electrostatic analysis. However, it is highly challenging to compute accurate PB electrostatic solvation free energies for macromolecules due to the nonlinearity, dielectric jumps, charge singularity , and geometric complexity associated with the PB equation. The present work introduces a PB based machine learning (PBML) model for biomolecular electrostatic analysis. Trained with the second-order accurate MIBPB solver, the proposed PBML model is found to be more accurate and faster than several eminent PB solvers in electrostatic analysis. The proposed PBML model can provide highly accurate PB electrostatic solvation free energy of new biomolecules or new conformations generated by molecular dynamics with much reduced computational cost.

physics.chem-ph↗

arXiv2023

Structure maps for MAX phases formability revisited

The extraordinary chemical diversity of MAX phases raises the question of how many and which novel ones are yet to be discovered. The conventional schemes rely either on executions of well designed experiments or elaborately crafted calculations; both of which have been key tactics within the past several decades that have yielded many of important new materials we are studying and using today. However, these approaches are expensive despite the emergence of high throughput automations or evolution of high speed computers. In this work, we have revisited the in prior proposed light duty strategy, i.e. structure mapping, for describing the genomic conditions under which one MAX phase could form; that allow us to make successful formability and non formability separation of MAX phases with a fidelity of 95.5%. Our results suggest that the proposed coordinates, and further the developed structure maps, are able to offer a useful initial guiding principles for systematic screenings of potential MAX phases and provide untapped opportunities for their structure prediction and materials design.

cond-mat.mtrl-sci↗

arXiv2023

Hysteretic Behavior Simulation Based on Pyramid Neural Network:Principle, Network Architecture, Case Study and Explanation

An accurate and efficient simulation of the hysteretic behavior of materials and components is essential for structural analysis. The surrogate model based on neural networks shows significant potential in balancing efficiency and accuracy. However, its serial information flow and prediction based on single-level features adversely affect the network performance. Therefore, a weighted stacked pyramid neural network architecture is proposed herein. This network establishes a pyramid architecture by introducing multi-level shortcuts to integrate features directly in the output module. In addition, a weighted stacked strategy is proposed to enhance the conventional feature fusion method. Subsequently, the redesigned architectures are compared with other commonly used network architectures. Results show that the redesigned architectures outperform the alternatives in 87.5% of cases. Meanwhile, the long and short-term memory abilities of different basic network architectures are analyzed through a specially designed experiment, which could provide valuable suggestions for network selection.

cs.LG↗

arXiv2023

Iterative self-transfer learning: A general methodology for response time-history prediction based on small dataset

There are numerous advantages of deep neural network surrogate modeling for response time-history prediction. However, due to the high cost of refined numerical simulations and actual experiments, the lack of data has become an unavoidable bottleneck in practical applications. An iterative self-transfer learningmethod for training neural networks based on small datasets is proposed in this study. A new mapping-based transfer learning network, named as deep adaptation network with three branches for regression (DAN-TR), is proposed. A general iterative network training strategy is developed by coupling DAN-TR and the pseudo-label strategy, and the establishment of corresponding datasets is also discussed. Finally, a complex component is selected as a case study. The results show that the proposed method can improve the model performance by near an order of magnitude on small datasets without the need of external labeled samples,well behaved pre-trainedmodels, additional artificial labeling, and complex physical/mathematical analysis.

cs.LG↗