2 code implementations • 19 May 2022 • Lixue Cheng, ZiYi Yang, ChangYu Hsieh, Benben Liao, Shengyu Zhang
Directed evolution is a versatile technique in protein engineering that mimics the process of natural selection by iteratively alternating between mutagenesis and screening in order to search for sequences that optimize a given property of interest, such as catalytic activity and binding affinity to a specified target.
1 code implementation • 29 Jan 2022 • Yue Wan, Benben Liao, Chang-Yu Hsieh, Shengyu Zhang
In this paper, we propose Retroformer, a novel Transformer-based architecture for retrosynthesis prediction without relying on any cheminformatics tools for molecule editing.
1 code implementation • Chemical Engineering Journal 2021 • Xiaorui Wang, Yuquan Li, Jiezhong Qiu, Guangyong Chen, Huanxiang Liu, Benben Liao, Chang-Yu Hsieh, Xiaojun Yaoa
RetroPrime achieves the Top-1 accuracy of 64. 8% and 51. 4%, when the reaction type is known and unknown, respectively, in the USPTO-50 K dataset.
Ranked #13 on Single-step retrosynthesis on USPTO-50k
no code implementations • 25 Sep 2019 • Yujun Shi, Benben Liao, Guangyong Chen, Yun Liu, Ming-Ming Cheng, Jiashi Feng
Then, we show by experiments that DNNs under standard training rely heavily on optimizing the non-robust component in achieving decent performance.
no code implementations • 10 Sep 2019 • Yitong Meng, Xinyan Dai, Xiao Yan, James Cheng, Weiwen Liu, Benben Liao, Jun Guo, Guangyong Chen
Collaborative filtering, a widely-used recommendation technique, predicts a user's preference by aggregating the ratings from similar users.
no code implementations • 10 Sep 2019 • Yitong Meng, Guangyong Chen, Benben Liao, Jun Guo, Weiwen Liu
We further adopt the idea of CF and propose Wasserstein CF (WCF) to improve the recommendation performance on cold-start items.
1 code implementation • 22 Jun 2019 • Guangyong Chen, Pengfei Chen, Chang-Yu Hsieh, Chee-Kong Lee, Benben Liao, Renjie Liao, Weiwen Liu, Jiezhong Qiu, Qiming Sun, Jie Tang, Richard Zemel, Shengyu Zhang
We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science.
no code implementations • 13 Jun 2019 • Pengfei Chen, Benben Liao, Guangyong Chen, Shengyu Zhang
Most recent efforts have been devoted to defending noisy labels by discarding noisy samples from the training set or assigning weights to training samples, where the weight associated with a noisy sample is expected to be small.
no code implementations • 6 Jun 2019 • Yujun Shi, Benben Liao, Guangyong Chen, Yun Liu, Ming-Ming Cheng, Jiashi Feng
Despite many previous works studying the reason behind such adversarial behavior, the relationship between the generalization performance and adversarial behavior of DNNs is still little understood.
1 code implementation • 15 May 2019 • Guangyong Chen, Pengfei Chen, Yujun Shi, Chang-Yu Hsieh, Benben Liao, Shengyu Zhang
Our work is based on an excellent idea that whitening the inputs of neural networks can achieve a fast convergence speed.
3 code implementations • 13 May 2019 • Pengfei Chen, Benben Liao, Guangyong Chen, Shengyu Zhang
Noisy labels are ubiquitous in real-world datasets, which poses a challenge for robustly training deep neural networks (DNNs) as DNNs usually have the high capacity to memorize the noisy labels.
Ranked #37 on Image Classification on mini WebVision 1.0