Yuchu Liu

Yuchu Liu, Rui Zhu, Jingwei Xiong et al.

Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit drastically different behaviors depending on their synthesis route, processing history, morphology, and testing conditions. Yet, state-of-the-art polymer property models typically rely on structure-only representations -- such as SMILES or molecular graphs -- which strip away this vital experimental context. In this work, we introduce \textbf{PolyLM}, a natural-language-only, process- and condition-aware framework that predicts materials performance directly from full-text literature. By circumventing structural inputs entirely, PolyLM preserves the nuanced, unstructured descriptions of synthesis and processing reported by domain scientists. To train this framework, we curated an unprecedented, literature-scale dataset encompassing 185,000 scientific papers and over 276,400 unique polymer samples across 22 physical, mechanical, and thermal properties. We fine-tuned a massive 9-billion-parameter language model (Qwen3.5-9B) using Low-Rank Adaptation (LoRA) and task-level uncertainty weighting. Evaluated on 68,283 held-out observations, the model achieves remarkably high predictive accuracy, establishing new state-of-the-art benchmarks for complex properties. Across the 22 diverse targets, the model achieves a median $R^2$ of 0.74, with predictions for key thermal, mechanical, and physicochemical properties frequently surpassing an $R^2$ of 0.80. These results unequivocally demonstrate that natural language is a powerful, highly scalable interface for realistic materials performance prediction.

Yuchu Liu, David Issa Mattos, Jan Bosch et al.

Randomised field experiments, such as A/B testing, have long been the gold standard for evaluating the value that new software brings to customers. However, running randomised field experiments is not always desired, possible or even ethical in the development of automotive embedded software. In the face of such restrictions, we propose the use of the Bayesian propensity score matching technique for causal inference of observational studies in the automotive domain. In this paper, we present a method based on the Bayesian propensity score matching framework, applied in the unique setting of automotive software engineering. This method is used to generate balanced control and treatment groups from an observational online evaluation and estimate causal treatment effects from the software changes, even with limited samples in the treatment group. We exemplify the method with a proof-of-concept in the automotive domain. In the example, we have a larger control ($N_c=1100$) fleet of cars using the current software and a small treatment fleet ($N_t=38$), in which we introduce a new software variant. We demonstrate a scenario that shipping of a new software to all users is restricted, as a result, a fully randomised experiment could not be conducted. Therefore, we utilised the Bayesian propensity score matching method with 14 observed covariates as inputs. The results show more balanced groups, suitable for estimating causal treatment effects from the collected observational data. We describe the method in detail and share our configuration. Furthermore, we discuss how can such a method be used for online evaluation of new software utilising small groups of samples.