Fanglin Chen

Lai Wei, Qinyang Li, Yuqi Song et al.

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at \url{www.materialsatlas.org/blmtinker}.

Fengjun Li, Xin Feng, Fanglin Chen et al.

Typical methods for blind image super-resolution (SR) focus on dealing with unknown degradations by directly estimating them or learning the degradation representations in a latent space. A potential limitation of these methods is that they assume the unknown degradations can be simulated by the integration of various handcrafted degradations (e.g., bicubic downsampling), which is not necessarily true. The real-world degradations can be beyond the simulation scope by the handcrafted degradations, which are referred to as novel degradations. In this work, we propose to learn a latent representation space for degradations, which can be generalized from handcrafted (base) degradations to novel degradations. The obtained representations for a novel degradation in this latent space are then leveraged to generate degraded images consistent with the novel degradation to compose paired training data for SR model. Furthermore, we perform variational inference to match the posterior of degradations in latent representation space with a prior distribution (e.g., Gaussian distribution). Consequently, we are able to sample more high-quality representations for a novel degradation to augment the training data for SR model. We conduct extensive experiments on both synthetic and real-world datasets to validate the effectiveness and advantages of our method for blind super-resolution with novel degradations.

Fanglin Chen, Xiao Liu, Bo Tang et al.

We utilize an offline reinforcement learning (RL) model for sequential targeted promotion in the presence of budget constraints in a real-world business environment. In our application, the mobile app aims to boost customer retention by sending cash bonuses to customers and control the costs of such cash bonuses during each time period. To achieve the multi-task goal, we propose the Budget Constrained Reinforcement Learning for Sequential Promotion (BCRLSP) framework to determine the value of cash bonuses to be sent to users. We first find out the target policy and the associated Q-values that maximizes the user retention rate using an RL model. A linear programming (LP) model is then added to satisfy the constraints of promotion costs. We solve the LP problem by maximizing the Q-values of actions learned from the RL model given the budget constraints. During deployment, we combine the offline RL model with the LP model to generate a robust policy under the budget constraints. Using both online and offline experiments, we demonstrate the efficacy of our approach by showing that BCRLSP achieves a higher long-term customer retention rate and a lower cost than various baselines. Taking advantage of the near real-time cost control method, the proposed framework can easily adapt to data with a noisy behavioral policy and/or meet flexible budget constraints.