arXiv subjects

Yuchong Tang

Publications and source records attributed to Yuchong Tang.

2 recordsLinked to original sources

arXiv2026

A Jin--Xin Relaxation Gradual Convergence Method for Conservation-Law PINNs

The Jin--Xin relaxation of a nonlinear hyperbolic conservation law introduces a relaxation parameter that controls the width of the internal layer resolving a shock; the discontinuity of the limiting conservation law emerges only in the singular limit as this width vanishes. Physics-informed neural networks (PINNs) use smooth network approximations and are therefore not well suited to this limit, while relaxation PINNs with a fixed parameter resolve only a single scale and cannot follow the multiscale transition toward the limiting solution. We propose the Jin--Xin relaxation gradual convergence method (JXRGCM), which treats the relaxation parameter as a continuation variable, annealing it to zero along a schedule and warm-starting each stage from the previous one, so that the approximation follows the relaxation profile through progressively sharper scales. Under the sub-characteristic condition we establish a stability estimate whose constant is independent of the relaxation parameter; combined with the relaxation limit, it yields for scalar conservation laws an $L^2$ convergence rate of $\mathcal{O}(\varepsilon^{1/4})$ toward the entropy solution. Numerical experiments on the Burgers equation, the shallow-water dam-break problem, and the Sod shock tube show that JXRGCM improves shock and rarefaction resolution compared with fixed-parameter relaxation PINNs and other physics-informed approaches.

math.NA↗

arXiv2026

OLEDLM: A Unified Language Model for OLED Molecular Design

The development of organic light-emitting diode (OLED) materials faces the compounded challenges of an astronomically large chemical space, stringent quantum-chemical constraints, and a scarcity of labeled data. Although the question of OLED generation is important, few models have been trained effectively for this specific domain. We propose an inverse molecular design framework based on causal language models: given target optoelectronic properties (e.g., excitation energy, oscillator strength), our model directly generates OLED SMILES sequences satisfying the specified constraints. We employ a multi-stage strategy: first, we establish a foundational chemical language model using a LLaMA-style transformer architecture. To the best of our knowledge, this represents the first successful adaptation of LLMs specifically for the OLED domain, bridging the gap between generic molecular generation and the stringent structural requirements of optoelectronic materials. Second, we fine-tune property predictors based on a BERT model pre-trained on our large-scale OLED dataset. Then, we perform Reinforcement Learning on our fine-tuned model, leveraging our property predictor, for better SMILES generation. Finally, through DFT verification, we demonstrate that our framework can efficiently navigate the OLED chemical space, generating novel candidates with high structural validity and optimized optoelectronic properties.

cs.LG↗