Jun Wang

Alexander I. Cowen-Rivers, Philip John Gorinski, Aivar Sootla et al.

Optimizing combinatorial structures is core to many real-world problems, such as those encountered in life sciences. For example, one of the crucial steps involved in antibody design is to find an arrangement of amino acids in a protein sequence that improves its binding with a pathogen. Combinatorial optimization of antibodies is difficult due to extremely large search spaces and non-linear objectives. Even for modest antibody design problems, where proteins have a sequence length of eleven, we are faced with searching over 2.05 x 10^14 structures. Applying traditional Reinforcement Learning algorithms such as Q-learning to combinatorial optimization results in poor performance. We propose Structured Q-learning (SQL), an extension of Q-learning that incorporates structural priors for combinatorial optimization. Using a molecular docking simulator, we demonstrate that SQL finds high binding energy sequences and performs favourably against baselines on eight challenging antibody design tasks, including designing antibodies for SARS-COV.

Jun Wang, Yu Mao, Yufei Cui et al.

Immunohistochemistry (IHC) plays a crucial role in pathology as it detects the over-expression of protein in tissue samples. However, there are still fewer machine learning model studies on IHC's impact on accurate cancer grading. We discovered that IHC and H\&E possess distinct advantages and disadvantages while possessing certain complementary qualities. Building on this observation, we developed a two-stage multi-modal bilinear model with a feature pooling module. This model aims to maximize the potential of both IHC and HE's feature representation, resulting in improved performance compared to their individual use. Our experiments demonstrate that incorporating IHC data into machine learning models, alongside H\&E stained images, leads to superior predictive results for cancer grading. The proposed framework achieves an impressive ACC higher of 0.953 on the public dataset BCI.