Yuan Gao

Yuan Gao, Jiayi Ma, Mingbo Zhao et al.

In this paper, we propose a novel Convolutional Neural Network (CNN) structure for general-purpose multi-task learning (MTL), which enables automatic feature fusing at every layer from different tasks. This is in contrast with the most widely used MTL CNN structures which empirically or heuristically share features on some specific layers (e.g., share all the features except the last convolutional layer). The proposed layerwise feature fusing scheme is formulated by combining existing CNN components in a novel way, with clear mathematical interpretability as discriminative dimensionality reduction, which is referred to as Neural Discriminative Dimensionality Reduction (NDDR). Specifically, we first concatenate features with the same spatial resolution from different tasks according to their channel dimension. Then, we show that the discriminative dimensionality reduction can be fulfilled by 1x1 Convolution, Batch Normalization, and Weight Decay in one CNN. The use of existing CNN components ensures the end-to-end training and the extensibility of the proposed NDDR layer to various state-of-the-art CNN architectures in a "plug-and-play" manner. The detailed ablation analysis shows that the proposed NDDR layer is easy to train and also robust to different hyperparameters. Experiments on different task sets with various base network architectures demonstrate the promising performance and desirable generalizability of our proposed method. The code of our paper is available at https://github.com/ethanygao/NDDR-CNN.

Yuan Gao, Jian-Guo Liu, Nan Wu

We study the Langevin dynamics of a physical system with manifold structure $\mathcal{M}\subset\mathbb{R}^p$ based on collected sample points $\{\mathsf{x}_i\}_{i=1}^n \subset \mathcal{M}$ that probe the unknown manifold $\mathcal{M}$. Through the diffusion map, we first learn the reaction coordinates $\{\mathsf{y}_i\}_{i=1}^n\subset \mathcal{N}$ corresponding to $\{\mathsf{x}_i\}_{i=1}^n$, where $\mathcal{N}$ is a manifold diffeomorphic to $\mathcal{M}$ and isometrically embedded in $\mathbb{R}^\ell$ with $\ell \ll p$. The induced Langevin dynamics on $\mathcal{N}$ in terms of the reaction coordinates captures the slow time scale dynamics such as conformational changes in biochemical reactions. To construct an efficient and stable approximation for the Langevin dynamics on $\mathcal{N}$, we leverage the corresponding Fokker-Planck equation on the manifold $\mathcal{N}$ in terms of the reaction coordinates $\mathsf{y}$. We propose an implementable, unconditionally stable, data-driven finite volume scheme for this Fokker-Planck equation, which automatically incorporates the manifold structure of $\mathcal{N}$. Furthermore, we provide a weighted $L^2$ convergence analysis of the finite volume scheme to the Fokker-Planck equation on $\mathcal{N}$. The proposed finite volume scheme leads to a Markov chain on $\{\mathsf{y}_i\}_{i=1}^n$ with an approximated transition probability and jump rate between the nearest neighbor points. After an unconditionally stable explicit time discretization, the data-driven finite volume scheme gives an approximated Markov process for the Langevin dynamics on $\mathcal{N}$ and the approximated Markov process enjoys detailed balance, ergodicity, and other good properties.