Evolving symbolic density functionals

Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite the emerging application of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain more than tens of thousands parameters, which makes a huge gap in the formulation with the conventional human-designed symbolic functionals. We propose a new framework, Symbolic Functional Evolutionary Search (SyFES), that automatically constructs accurate functionals in the symbolic form, which is more explainable to humans, cheaper to evaluate, and easier to integrate to existing density functional theory codes than other ML functionals. We first show that without prior knowledge, SyFES reconstructed a known functional from scratch. We then demonstrate that evolving from an existing functional $\omega$B97M-V, SyFES found a new functional, GAS22 (Google Accelerated Science 22), that performs better on main-group chemistry. Our framework opens a new direction in leveraging computing power for the systematic development of symbolic density functionals.

Breast Cancer Classification with Ultrasound Images Based on SLIC

Ultrasound image diagnosis of breast tumors has been widely used in recent years. However, there are some problems of it, for instance, poor quality, intense noise and uneven echo distribution, which has created a huge obstacle to diagnosis. To overcome these problems, we propose a novel method, a breast cancer classification with ultrasound images based on SLIC (BCCUI). We first utilize the Region of Interest (ROI) extraction based on Simple Linear Iterative Clustering (SLIC) algorithm and region growing algorithm to extract the ROI at the super-pixel level. Next, the features of ROI are extracted. Furthermore, the Support Vector Machine (SVM) classifier is applied. The calculation states that the accuracy of this segment algorithm is up to 88.00% and the sensitivity of the algorithm is up to 92.05%, which proves that the classifier presents in this paper has certain research meaning and applied worthiness.

SeFM: A Sequential Feature Point Matching Algorithm for Object 3D Reconstruction

3D reconstruction is a fundamental issue in many applications and the feature point matching problem is a key step while reconstructing target objects. Conventional algorithms can only find a small number of feature points from two images which is quite insufficient for reconstruction. To overcome this problem, we propose SeFM a sequential feature point matching algorithm. We first utilize the epipolar geometry to find the epipole of each image. Rotating along the epipole, we generate a set of the epipolar lines and reserve those intersecting with the input image. Next, a rough matching phase, followed by a dense matching phase, is applied to find the matching dot-pairs using dynamic programming. Furthermore, we also remove wrong matching dot-pairs by calculating the validity. Experimental results illustrate that SeFM can achieve around 1,000 to 10,000 times matching dot-pairs, depending on individual image, compared to conventional algorithms and the object reconstruction with only two images is semantically visible. Moreover, it outperforms conventional algorithms, such as SIFT and SURF, regarding precision and recall.

Quantitatively Evaluating GANs With Divergences Proposed for Training

Generative adversarial networks (GANs) have been extremely effective in approximating complex distributions of high-dimensional, input data samples, and substantial progress has been made in understanding and improving GAN performance in terms of both theory and application. However, we currently lack quantitative methods for model assessment. Because of this, while many GAN variants are being proposed, we have relatively little understanding of their relative abilities. In this paper, we evaluate the performance of various types of GANs using divergence and distance functions typically used only for training. We observe consistency across the various proposed metrics and, interestingly, the test-time metrics do not favour networks that use the same training-time criterion. We also compare the proposed metrics to human perceptual scores.

Generative Adversarial Parallelization

Generative Adversarial Networks have become one of the most studied frameworks for unsupervised learning due to their intuitive formulation. They have also been shown to be capable of generating convincing examples in limited domains, such as low-resolution images. However, they still prove difficult to train in practice and tend to ignore modes of the data generating distribution. Quantitatively capturing effects such as mode coverage and more generally the quality of the generative model still remain elusive. We propose Generative Adversarial Parallelization, a framework in which many GANs or their variants are trained simultaneously, exchanging their discriminators. This eliminates the tight coupling between a generator and discriminator, leading to improved convergence and improved coverage of modes. We also propose an improved variant of the recently proposed Generative Adversarial Metric and show how it can score individual GANs or their collections under the GAP model.

Theano-MPI: a Theano-based Distributed Training Framework

We develop a scalable and extendable training framework that can utilize GPUs across nodes in a cluster and accelerate the training of deep learning models based on data parallelism. Both synchronous and asynchronous training are implemented in our framework, where parameter exchange among GPUs is based on CUDA-aware MPI. In this report, we analyze the convergence and capability of the framework to reduce training time when scaling the synchronous training of AlexNet and GoogLeNet from 2 GPUs to 8 GPUs. In addition, we explore novel ways to reduce the communication overhead caused by exchanging parameters. Finally, we release the framework as open-source for further research on distributed deep learning