Yan Zhang

Yan Zhang, Hao Hao, Xiao He et al.

Molecular retrosynthesis is a significant and complex problem in the field of chemistry, however, traditional manual synthesis methods not only need well-trained experts but also are time-consuming. With the development of big data and machine learning, artificial intelligence (AI) based retrosynthesis is attracting more attention and has become a valuable tool for molecular retrosynthesis. At present, Monte Carlo tree search is a mainstream search framework employed to address this problem. Nevertheless, its search efficiency is compromised by its large search space. Therefore, this paper proposes a novel approach for retrosynthetic route planning based on evolutionary optimization, marking the first use of Evolutionary Algorithm (EA) in the field of multi-step retrosynthesis. The proposed method involves modeling the retrosynthetic problem into an optimization problem, defining the search space and operators. Additionally, to improve the search efficiency, a parallel strategy is implemented. The new approach is applied to four case products and compared with Monte Carlo tree search. The experimental results show that, in comparison to the Monte Carlo tree search algorithm, EA significantly reduces the number of calling single-step model by an average of 53.9%. The time required to search three solutions decreases by an average of 83.9%, and the number of feasible search routes increases by 1.38 times. The source code is available at https://github.com/ilog-ecnu/EvoRRP.

Wei Zeng, Xiaozhe Ren, Teng Su et al.

Large-scale Pretrained Language Models (PLMs) have become the new paradigm for Natural Language Processing (NLP). PLMs with hundreds of billions parameters such as GPT-3 have demonstrated strong performances on natural language understanding and generation with \textit{few-shot in-context} learning. In this work, we present our practice on training large-scale autoregressive language models named PanGu-$α$, with up to 200 billion parameters. PanGu-$α$ is developed under the MindSpore and trained on a cluster of 2048 Ascend 910 AI processors. The training parallelism strategy is implemented based on MindSpore Auto-parallel, which composes five parallelism dimensions to scale the training task to 2048 processors efficiently, including data parallelism, op-level model parallelism, pipeline model parallelism, optimizer model parallelism and rematerialization. To enhance the generalization ability of PanGu-$α$, we collect 1.1TB high-quality Chinese data from a wide range of domains to pretrain the model. We empirically test the generation ability of PanGu-$α$ in various scenarios including text summarization, question answering, dialogue generation, etc. Moreover, we investigate the effect of model scales on the few-shot performances across a broad range of Chinese NLP tasks. The experimental results demonstrate the superior capabilities of PanGu-$α$ in performing various tasks under few-shot or zero-shot settings.

Yan Zhang, Zhijiang Guo, Zhiyang Teng et al.

AMR-to-text generation is used to transduce Abstract Meaning Representation structures (AMR) into text. A key challenge in this task is to efficiently learn effective graph representations. Previously, Graph Convolution Networks (GCNs) were used to encode input AMRs, however, vanilla GCNs are not able to capture non-local information and additionally, they follow a local (first-order) information aggregation scheme. To account for these issues, larger and deeper GCN models are required to capture more complex interactions. In this paper, we introduce a dynamic fusion mechanism, proposing Lightweight Dynamic Graph Convolutional Networks (LDGCNs) that capture richer non-local interactions by synthesizing higher order information from the input graphs. We further develop two novel parameter saving strategies based on the group graph convolutions and weight tied convolutions to reduce memory usage and model complexity. With the help of these strategies, we are able to train a model with fewer parameters while maintaining the model capacity. Experiments demonstrate that LDGCNs outperform state-of-the-art models on two benchmark datasets for AMR-to-text generation with significantly fewer parameters.

Abhishek Singh Dahiya, Jerome Thireau, Jamila Boudaden et al.

Energy Autonomous Wearable Sensors (EAWS) have attracted a large interest due to their potential to provide reliable measurements and continuous bioelectric signals, which help to reduce health risk factors early on, ongoing assessment for disease prevention, and maintaining optimum, lifelong health quality. This review paper presents recent developments and state-of-the-art research related to three critical elements that enable an EAWS. The first element is wearable sensors, which monitor human body physiological signals and activities. Emphasis is given on explaining different types of transduction mechanisms presented, and emerging materials and fabrication techniques. The second element is the flexible and wearable energy storage device to drive low-power electronics and the software needed for automatic detection of unstable physiological parameters. The third is the flexible and stretchable energy harvesting module to recharge batteries for continuous operation of wearable sensors. We conclude by discussing some of the technical challenges in realizing energy-autonomous wearable sensing technologies and possible solutions for overcoming them.

Yan Zhang, Mete Ozay, Zhun Sun et al.

In this paper, we suggest a framework to make use of mutual information as a regularization criterion to train Auto-Encoders (AEs). In the proposed framework, AEs are regularized by minimization of the mutual information between input and encoding variables of AEs during the training phase. In order to estimate the entropy of the encoding variables and the mutual information, we propose a non-parametric method. We also give an information theoretic view of Variational AEs (VAEs), which suggests that VAEs can be considered as parametric methods that estimate entropy. Experimental results show that the proposed non-parametric models have more degree of freedom in terms of representation learning of features drawn from complex distributions such as Mixture of Gaussians, compared to methods which estimate entropy using parametric approaches, such as Variational AEs.

Heng Zhang, Yan Zhang

The stable model semantics had been recently generalized to non-Herbrand structures by several works, which provides a unified framework and solid logical foundations for answer set programming. This paper focuses on the expressiveness of normal and disjunctive programs under the general stable model semantics. A translation from disjunctive programs to normal programs is proposed for infinite structures. Over finite structures, some disjunctive programs are proved to be intranslatable to normal programs if the arities of auxiliary predicates and functions are bounded in a certain way. The equivalence of the expressiveness of normal programs and disjunctive programs over arbitrary structures is also shown to coincide with that over finite structures, and coincide with whether NP is closed under complement. Moreover, to capture the exact expressiveness, some intertranslatability results between logic program classes and fragments of second-order logic are obtained.