Haoran Wei

Runze Su, Fei Tao, Xudong Liu et al.

The applications of short-term user-generated video (UGV), such as Snapchat, and Youtube short-term videos, booms recently, raising lots of multimodal machine learning tasks. Among them, learning the correspondence between audio and visual information from videos is a challenging one. Most previous work of the audio-visual correspondence(AVC) learning only investigated constrained videos or simple settings, which may not fit the application of UGV. In this paper, we proposed new principles for AVC and introduced a new framework to set sight of videos' themes to facilitate AVC learning. We also released the KWAI-AD-AudVis corpus which contained 85432 short advertisement videos (around 913 hours) made by users. We evaluated our proposed approach on this corpus, and it was able to outperform the baseline by 23.15% absolute difference.

Sai Krishna Gottipati, Boris Sattarov, Sufeng Niu et al.

Over the last decade, there has been significant progress in the field of machine learning for de novo drug design, particularly in deep generative models. However, current generative approaches exhibit a significant challenge as they do not ensure that the proposed molecular structures can be feasibly synthesized nor do they provide the synthesis routes of the proposed small molecules, thereby seriously limiting their practical applicability. In this work, we propose a novel forward synthesis framework powered by reinforcement learning (RL) for de novo drug design, Policy Gradient for Forward Synthesis (PGFS), that addresses this challenge by embedding the concept of synthetic accessibility directly into the de novo drug design system. In this setup, the agent learns to navigate through the immense synthetically accessible chemical space by subjecting commercially available small molecule building blocks to valid chemical reactions at every time step of the iterative virtual multi-step synthesis process. The proposed environment for drug discovery provides a highly challenging test-bed for RL algorithms owing to the large state space and high-dimensional continuous action space with hierarchical actions. PGFS achieves state-of-the-art performance in generating structures with high QED and penalized clogP. Moreover, we validate PGFS in an in-silico proof-of-concept associated with three HIV targets. Finally, we describe how the end-to-end training conceptualized in this study represents an important paradigm in radically expanding the synthesizable chemical space and automating the drug discovery process.

Haoran Wei, Yuanbo Wang, Lidia Mangu et al.

We build a profitable electronic trading agent with Reinforcement Learning that places buy and sell orders in the stock market. An environment model is built only with historical observational data, and the RL agent learns the trading policy by interacting with the environment model instead of with the real-market to minimize the risk and potential monetary loss. Trained in unsupervised and self-supervised fashion, our environment model learned a temporal and causal representation of the market in latent space through deep neural networks. We demonstrate that the trading policy trained entirely within the environment model can be transferred back into the real market and maintain its profitability. We believe that this environment model can serve as a robust simulator that predicts market movement as well as trade impact for further studies.

Haoran Wei, Mariefel Olarte, Garrett B. Goh

The aim of the inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design and have achieved early success in generating molecular structures with desired properties in the pharmaceutical and material chemistry fields. However, satisfying a large number (larger than 10 objectives) of molecular objectives is a limitation of current generative models. To improve the model's ability to handle a large number of molecule design objectives, we developed a Reinforcement Learning (RL) based generative framework to optimize chemical molecule generation. Our use of Curriculum Learning (CL) to fine-tune the pre-trained generative network allowed the model to satisfy up to 21 objectives and increase the generative network's robustness. The experiments show that the proposed multiple-objective RL-based generative model can correctly identify unknown molecules with an 83 to 100 percent success rate, compared to the baseline approach of 0 percent. Additionally, this proposed generative model is not limited to just chemistry research challenges; we anticipate that problems that utilize RL with multiple-objectives will benefit from this framework.