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Rui Xin

Rui Xin contributes to research discovery and scholarly infrastructure.

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Published work

4 published item(s)

preprint2026arXiv

EvoLM: Self-Evolving Language Models through Co-Evolved Discriminative Rubrics

Language models encode substantial evaluative knowledge from pretraining, yet current post-training methods rely on external supervision (human annotations, proprietary models, or scalar reward models) to produce reward signals. Each imposes a ceiling. Human judgment cannot supervise capabilities beyond its own, proprietary APIs create dependencies, and verifiable rewards cover only domains with ground-truth answers. Self-improvement from a model's own evaluative capacity is a reward source that scales with the model itself, yet remains largely untapped by current methods. We introduce EVOLM, a post-training method that structures this capacity into explicit discriminative rubrics and uses them as training signal. EVOLM trains two capabilities within a single language model in alternation: (1) a rubric generator producing instance-specific evaluation criteria optimized for discriminative utility, which maximizes a small frozen judge's ability to distinguish preferred from dispreferred responses; and (2) a policy trained using those rubric-conditioned scores as reward. All preference signals are constructed from the policy's own outputs via temporal contrast with earlier checkpoints, requiring no human annotation or external supervision. EVOLM trains a Qwen3-8B model to generate rubrics that outperform GPT-4.1 on RewardBench-2 by 25.7%. The co-trained policy achieves 69.3% average on the OLMo3-Adapt suite, outperforming policies trained with GPT-4.1 prompted rubrics by 3.9% and with the state-of-the-art 8B reward model SkyWork-RM by 16%. Overall, EVOLM demonstrates that structuring a model's evaluative capacity into co-evolving discriminative rubrics enables self-improvement without external supervision.

preprint2022arXiv

Materials Transformers Language Models for Generative Materials Design: a benchmark study

Pre-trained transformer language models on large unlabeled corpus have produced state-of-the-art results in natural language processing, organic molecule design, and protein sequence generation. However, no such models have been applied to learn the composition patterns of inorganic materials. Here we train a series of seven modern transformer language models (GPT, GPT-2, GPT-Neo, GPT-J, BLMM, BART, and RoBERTa) using the expanded formulas from material deposited in the ICSD, OQMD, and Materials Projects databases. Six different datasets with/out non-charge-neutral or balanced electronegativity samples are used to benchmark the performances and uncover the generation biases of modern transformer models for the generative design of materials compositions. Our extensive experiments showed that the causal language models based materials transformers can generate chemically valid materials compositions with as high as 97.54\% to be charge neutral and 91.40\% to be electronegativity balanced, which has more than 6 times higher enrichment compared to a baseline pseudo-random sampling algorithm. These models also demonstrate high novelty and their potential in new materials discovery has been proved by their capability to recover the leave-out materials. We also find that the properties of the generated samples can be tailored by training the models with selected training sets such as high-bandgap materials. Our experiments also showed that different models each have their own preference in terms of the properties of the generated samples and their running time complexity varies a lot. We have applied our materials transformer models to discover a set of new materials as validated using DFT calculations.

preprint2021arXiv

Active learning based generative design for the discovery of wide bandgap materials

Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and Materials Project is extremely limited and consists of just a tiny portion of the vast chemical design space. Herein we present an active generative inverse design method that combines active learning with a deep variational autoencoder neural network and a generative adversarial deep neural network model to discover new materials with a target property in the whole chemical design space. The application of this method has allowed us to discover new thermodynamically stable materials with high band gap (SrYF$_5$) and semiconductors with specified band gap ranges (SrClF$_3$, CaClF$_5$, YCl$_3$, SrC$_2$F$_3$, AlSCl, As$_2$O$_3$), all of which are verified by the first principle DFT calculations. Our experiments show that while active learning itself may sample chemically infeasible candidates, these samples help to train effective screening models for filtering out materials with desired properties from the hypothetical materials created by the generative model. The experiments show the effectiveness of our active generative inverse design approach.

preprint2021arXiv

Multitask Learning for Citation Purpose Classification

We present our entry into the 2021 3C Shared Task Citation Context Classification based on Purpose competition. The goal of the competition is to classify a citation in a scientific article based on its purpose. This task is important because it could potentially lead to more comprehensive ways of summarizing the purpose and uses of scientific articles, but it is also difficult, mainly due to the limited amount of available training data in which the purposes of each citation have been hand-labeled, along with the subjectivity of these labels. Our entry in the competition is a multi-task model that combines multiple modules designed to handle the problem from different perspectives, including hand-generated linguistic features, TF-IDF features, and an LSTM-with-attention model. We also provide an ablation study and feature analysis whose insights could lead to future work.