Author name cluster

Shuwen Yang

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5 papers

2 author rows

NeurIPS Conference 2022 Conference Paper

Versatile Multi-stage Graph Neural Network for Circuit Representation

Shuwen Yang
Zhihao Yang
Dong Li
Yingxueff Zhang
Zhanguang Zhang
Guojie Song
Jianye Hao

Due to the rapid growth in the scale of circuits and the desire for knowledge transfer from old designs to new ones, deep learning technologies have been widely exploited in Electronic Design Automation (EDA) to assist circuit design. In chip design cycles, we might encounter heterogeneous and diverse information sources, including the two most informative ones: the netlist and the design layout. However, handling each information source independently is sub-optimal. In this paper, we propose a novel way to integrate the multiple information sources under a unified heterogeneous graph named Circuit Graph, where topological and geometrical information is well integrated. Then, we propose Circuit GNN to fully utilize the features of vertices, edges as well as heterogeneous information during the message passing process. It is the first attempt to design a versatile circuit representation that is compatible across multiple EDA tasks and stages. Experiments on the two most representative prediction tasks in EDA show that our solution reaches state-of-the-art performance in both logic synthesis and global placement chip design stages. Besides, it achieves a 10x speed-up on congestion prediction compared to the state-of-the-art model.

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ICLR Conference 2021 Conference Paper

Conformation-Guided Molecular Representation with Hamiltonian Neural Networks

Ziyao Li
Shuwen Yang
Guojie Song
Lingsheng Cai

Well-designed molecular representations (fingerprints) are vital to combine medical chemistry and deep learning. Whereas incorporating 3D geometry of molecules (i.e. conformations) in their representations seems beneficial, current 3D algorithms are still in infancy. In this paper, we propose a novel molecular representation algorithm which preserves 3D conformations of molecules with a Molecular Hamiltonian Network (HamNet). In HamNet, implicit positions and momentums of atoms in a molecule interact in the Hamiltonian Engine following the discretized Hamiltonian equations. These implicit coordinations are supervised with real conformations with translation- & rotation-invariant losses, and further used as inputs to the Fingerprint Generator, a message-passing neural network. Experiments show that the Hamiltonian Engine can well preserve molecular conformations, and that the fingerprints generated by HamNet achieve state-of-the-art performances on MoleculeNet, a standard molecular machine learning benchmark.

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NeurIPS Conference 2021 Conference Paper

Deep Molecular Representation Learning via Fusing Physical and Chemical Information

Shuwen Yang
Ziyao Li
Guojie Song
Lingsheng Cai

Molecular representation learning is the first yet vital step in combining deep learning and molecular science. To push the boundaries of molecular representation learning, we present PhysChem, a novel neural architecture that learns molecular representations via fusing physical and chemical information of molecules. PhysChem is composed of a physicist network (PhysNet) and a chemist network (ChemNet). PhysNet is a neural physical engine that learns molecular conformations through simulating molecular dynamics with parameterized forces; ChemNet implements geometry-aware deep message-passing to learn chemical / biomedical properties of molecules. Two networks specialize in their own tasks and cooperate by providing expertise to each other. By fusing physical and chemical information, PhysChem achieved state-of-the-art performances on MoleculeNet, a standard molecular machine learning benchmark. The effectiveness of PhysChem was further corroborated on cutting-edge datasets of SARS-CoV-2.

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IJCAI Conference 2020 Conference Paper

Domain Adaptive Classification on Heterogeneous Information Networks

Shuwen Yang
Guojie Song
Yilun Jin
Lun Du

Heterogeneous Information Networks (HINs) are ubiquitous structures in that they can depict complex relational data. Due to their complexity, it is hard to obtain sufficient labeled data on HINs, hampering classification on HINs. While domain adaptation (DA) techniques have been widely utilized in images and texts, the heterogeneity and complex semantics pose specific challenges towards domain adaptive classification on HINs. On one hand, HINs involve multiple levels of semantics, making it demanding to do domain alignment among them. On the other hand, the trade-off between domain similarity and distinguishability must be elaborately chosen, in that domain invariant features have been shown to be homogeneous and uninformative for classification. In this paper, we propose Multi-space Domain Adaptive Classification (MuSDAC) to handle the problem of DA on HINs. Specifically, we utilize multi-channel shared weight GCNs, projecting nodes in HINs to multiple spaces where pairwise alignment is carried out. In addition, we propose a heuristic sampling algorithm that efficiently chooses the combination of channels featuring distinguishability, and moving-averaged weighted voting scheme to fuse the selected channels, minimizing both transfer and classification loss. Extensive experiments on pairwise datasets endorse not only our model's performance on domain adaptive classification on HINs and contributions by individual components.

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IJCAI Conference 2019 Conference Paper

DANE: Domain Adaptive Network Embedding

Yizhou Zhang
Guojie Song
Lun Du
Shuwen Yang
Yilun Jin

Recent works reveal that network embedding techniques enable many machine learning models to handle diverse downstream tasks on graph structured data. However, as previous methods usually focus on learning embeddings for a single network, they can not learn representations transferable on multiple networks. Hence, it is important to design a network embedding algorithm that supports downstream model transferring on different networks, known as domain adaptation. In this paper, we propose a novel Domain Adaptive Network Embedding framework, which applies graph convolutional network to learn transferable embeddings. In DANE, nodes from multiple networks are encoded to vectors via a shared set of learnable parameters so that the vectors share an aligned embedding space. The distribution of embeddings on different networks are further aligned by adversarial learning regularization. In addition, DANE's advantage in learning transferable network embedding can be guaranteed theoretically. Extensive experiments reflect that the proposed framework outperforms other state-of-the-art network embedding baselines in cross-network domain adaptation tasks.

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