arXiv subjects

Jinyu Yang

Publications and source records attributed to Jinyu Yang.

45 records · Page 3Linked to original sources

arXiv2021

Hierarchical Graph Capsule Network

Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays an important role in graph classification. In this paper, we innovatively propose hierarchical graph capsule network (HGCN) that can jointly learn node embeddings and extract graph hierarchies. Specifically, disentangled graph capsules are established by identifying heterogeneous factors underlying each node, such that their instantiation parameters represent different properties of the same entity. To learn the hierarchical representation, HGCN characterizes the part-whole relationship between lower-level capsules (part) and higher-level capsules (whole) by explicitly considering the structure information among the parts. Experimental studies demonstrate the effectiveness of HGCN and the contribution of each component.

cs.LG↗

arXiv2020

RetroXpert: Decompose Retrosynthesis Prediction like a Chemist

Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis, various retrosynthesis prediction algorithms have been proposed. However, most of them are cumbersome and lack interpretability about their predictions. In this paper, we devise a novel template-free algorithm for automatic retrosynthetic expansion inspired by how chemists approach retrosynthesis prediction. Our method disassembles retrosynthesis into two steps: i) identify the potential reaction center of the target molecule through a novel graph neural network and generate intermediate synthons, and ii) generate the reactants associated with synthons via a robust reactant generation model. While outperforming the state-of-the-art baselines by a significant margin, our model also provides chemically reasonable interpretation.

q-bio.QM↗

arXiv2020

Label-Driven Reconstruction for Domain Adaptation in Semantic Segmentation

Unsupervised domain adaptation enables to alleviate the need for pixel-wise annotation in the semantic segmentation. One of the most common strategies is to translate images from the source domain to the target domain and then align their marginal distributions in the feature space using adversarial learning. However, source-to-target translation enlarges the bias in translated images and introduces extra computations, owing to the dominant data size of the source domain. Furthermore, consistency of the joint distribution in source and target domains cannot be guaranteed through global feature alignment. Here, we present an innovative framework, designed to mitigate the image translation bias and align cross-domain features with the same category. This is achieved by 1) performing the target-to-source translation and 2) reconstructing both source and target images from their predicted labels. Extensive experiments on adapting from synthetic to real urban scene understanding demonstrate that our framework competes favorably against existing state-of-the-art methods.

cs.CV↗

arXiv2020

Context-Aware Domain Adaptation in Semantic Segmentation

In this paper, we consider the problem of unsupervised domain adaptation in the semantic segmentation. There are two primary issues in this field, i.e., what and how to transfer domain knowledge across two domains. Existing methods mainly focus on adapting domain-invariant features (what to transfer) through adversarial learning (how to transfer). Context dependency is essential for semantic segmentation, however, its transferability is still not well understood. Furthermore, how to transfer contextual information across two domains remains unexplored. Motivated by this, we propose a cross-attention mechanism based on self-attention to capture context dependencies between two domains and adapt transferable context. To achieve this goal, we design two cross-domain attention modules to adapt context dependencies from both spatial and channel views. Specifically, the spatial attention module captures local feature dependencies between each position in the source and target image. The channel attention module models semantic dependencies between each pair of cross-domain channel maps. To adapt context dependencies, we further selectively aggregate the context information from two domains. The superiority of our method over existing state-of-the-art methods is empirically proved on "GTA5 to Cityscapes" and "SYNTHIA to Cityscapes".

cs.CV↗

arXiv2020

Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation

Molecule generation is to design new molecules with specific chemical properties and further to optimize the desired chemical properties. Following previous work, we encode molecules into continuous vectors in the latent space and then decode the vectors into molecules under the variational autoencoder (VAE) framework. We investigate the posterior collapse problem of current RNN-based VAEs for molecule sequence generation. For the first time, we find that underestimated reconstruction loss leads to posterior collapse, and provide both theoretical and experimental evidence. We propose an effective and efficient solution to fix the problem and avoid posterior collapse. Without bells and whistles, our method achieves SOTA reconstruction accuracy and competitive validity on the ZINC 250K dataset. When generating 10,000 unique valid SMILES from random prior sampling, it costs JT-VAE1450s while our method only needs 9s. Our implementation is at https://github.com/chaoyan1037/Re-balanced-VAE.

cs.LG↗

arXiv2019

Aggregation Signature for Small Object Tracking

Small object tracking becomes an increasingly important task, which however has been largely unexplored in computer vision. The great challenges stem from the facts that: 1) small objects show extreme vague and variable appearances, and 2) they tend to be lost easier as compared to normal-sized ones due to the shaking of lens. In this paper, we propose a novel aggregation signature suitable for small object tracking, especially aiming for the challenge of sudden and large drift. We make three-fold contributions in this work. First, technically, we propose a new descriptor, named aggregation signature, based on saliency, able to represent highly distinctive features for small objects. Second, theoretically, we prove that the proposed signature matches the foreground object more accurately with a high probability. Third, experimentally, the aggregation signature achieves a high performance on multiple datasets, outperforming the state-of-the-art methods by large margins. Moreover, we contribute with two newly collected benchmark datasets, i.e., small90 and small112, for visually small object tracking. The datasets will be available in https://github.com/bczhangbczhang/.

cs.CV↗

arXiv2019

Maximal Margin Distribution Support Vector Regression with coupled Constraints-based Convex Optimization

Support vector regression (SVR) is one of the most popular machine learning algorithms aiming to generate the optimal regression curve through maximizing the minimal margin of selected training samples, i.e., support vectors. Recent researchers reveal that maximizing the margin distribution of whole training dataset rather than the minimal margin of a few support vectors, is prone to achieve better generalization performance. However, the margin distribution support vector regression machines suffer difficulties resulted from solving a non-convex quadratic optimization, compared to the margin distribution strategy for support vector classification, This paper firstly proposes a maximal margin distribution model for SVR(MMD-SVR), then implementing coupled constrain factor to convert the non-convex quadratic optimization to a convex problem with linear constrains, which enhance the training feasibility and efficiency for SVR to derived from maximizing the margin distribution. The theoretical and empirical analysis illustrates the superiority of MMD-SVR. In addition, numerical experiments show that MMD-SVR could significantly improve the accuracy of prediction and generate more smooth regression curve with better generalization compared with the classic SVR.

cs.LG↗

arXiv2019

Artificial Intelligence in Intelligent Tutoring Robots: A Systematic Review and Design Guidelines

This study provides a systematic review of the recent advances in designing the intelligent tutoring robot (ITR), and summarises the status quo of applying artificial intelligence (AI) techniques. We first analyse the environment of the ITR and propose a relationship model for describing interactions of ITR with the students, the social milieu and the curriculum. Then, we transform the relationship model into the perception-planning-action model for exploring what AI techniques are suitable to be applied in the ITR. This article provides insights on promoting human-robot teaching-learning process and AI-assisted educational techniques, illustrating the design guidelines and future research perspectives in intelligent tutoring robots.

cs.AI↗

arXiv2018

An Unified Intelligence-Communication Model for Multi-Agent System Part-I: Overview

Motivated by Shannon's model and recent rehabilitation of self-supervised artificial intelligence having a "World Model", this paper propose an unified intelligence-communication (UIC) model for describing a single agent and any multi-agent system. Firstly, the environment is modelled as the generic communication channel between agents. Secondly, the UIC model adopts a learning-agent model for unifying several well-adopted agent architecture, e.g. rule-based agent model in complex adaptive systems, layered model for describing human-level intelligence, world-model based agent model. The model may also provide an unified approach to investigate a multi-agent system (MAS) having multiple action-perception modalities, e.g. explicitly information transfer and implicit information transfer. This treatise would be divided into three parts, and this first part provides an overview of the UIC model without introducing cumbersome mathematical analysis and optimizations. In the second part of this treatise, case studies with quantitative analysis driven by the UIC model would be provided, exemplifying the adoption of the UIC model in multi-agent system. Specifically, two representative cases would be studied, namely the analysis of a natural multi-agent system, as well as the co-design of communication, perception and action in an artificial multi-agent system. In the third part of this treatise, the paper provides further insights and future research directions motivated by the UIC model, such as unification of single intelligence and collective intelligence, a possible explanation of intelligence emergence and a dual model for agent-environment intelligence hypothesis. Notes: This paper is a Previewed Version, the extended full-version would be released after being accepted.

cs.AI↗