Dingding Cao
Publications
Intelligent Materials Modelling: Large Language Models Versus Partial Least Squares Regression for Predicting Polysulfone Membrane Mechanical Performance
Predicting the mechanical properties of polysulfone (PSF) membranes from structural descriptors remains challenging due to extreme data scarcity typical of experimental studies. To investigate this issue, this study benchmarked knowledge-driven inference using four large language models (LLMs) (DeepSeek-V3, DeepSeek-R1, ChatGPT-4o, and GPT-5) against partial least squares (PLS) regression for predicting Young's modulus (E), tensile strength (TS), and elongation at break (EL) based on pore diameter (PD), contact angle (CA), thickness (T), and porosity (P) measurements. These knowledge-driven approaches demonstrated property-specific advantages over the chemometric baseline. For EL, LLMs achieved statistically significant improvements, with DeepSeek-R1 and GPT-5 delivering 40.5% and 40.3% of Root Mean Square Error reductions, respectively, reducing mean absolute errors from $11.63\pm5.34$% to $5.18\pm0.17$%. Run-to-run variability was markedly compressed for LLMs ($\leq$3%) compared to PLS (up to 47%). E and TS predictions showed statistical parity between approaches ($q\geq0.05$), indicating sufficient performance of linear methods for properties with strong structure-property correlations. Error topology analysis revealed systematic regression-to-the-mean behavior dominated by data-regime effects rather than model-family limitations. These findings establish that LLMs excel for non-linear, constraint-sensitive properties under bootstrap instability, while PLS remains competitive for linear relationships requiring interpretable latent-variable decompositions. The demonstrated complementarity suggests hybrid architectures leveraging LLM-encoded knowledge within interpretable frameworks may optimise small-data materials discovery.
Early Rug Pull Warning for BSC Meme Tokens via Multi-Granularity Wash-Trading Pattern Profiling
The high-frequency issuance and short-cycle speculation of meme tokens in decentralized finance (DeFi) have significantly amplified rug-pull risk. Existing approaches still struggle to provide stable early warning under scarce anomalies, incomplete labels, and limited interpretability. To address this issue, an end-to-end warning framework is proposed for BSC meme tokens, consisting of four stages: dataset construction and labeling, wash-trading pattern feature modeling, risk prediction, and error analysis. Methodologically, 12 token-level behavioral features are constructed based on three wash-trading patterns (Self, Matched, and Circular), unifying transaction-, address-, and flow-level signals into risk vectors. Supervised models are then employed to output warning scores and alert decisions. Under the current setting (7 tokens, 33,242 records), Random Forest outperforms Logistic Regression on core metrics, achieving AUC=0.9098, PR-AUC=0.9185, and F1=0.7429. Ablation results show that trade-level features are the primary performance driver (Delta PR-AUC=-0.1843 when removed), while address-level features provide stable complementary gain (Delta PR-AUC=-0.0573). The model also demonstrates actionable early-warning potential for a subset of samples, with a mean Lead Time (v1) of 3.8133 hours. The error profile (FP=1, FN=8) indicates that the current system is better positioned as a high-precision screener rather than a high-recall automatic alarm engine. The main contributions are threefold: an executable and reproducible rug-pull warning pipeline, empirical validation of multi-granularity wash-trading features under weak supervision, and deployment-oriented evidence through lead-time and error-bound analysis.