Modeling nanoconfinement effects using active learning

Predicting the spatial configuration of gas molecules in nanopores of shale formations is crucial for fluid flow forecasting and hydrocarbon reserves estimation. The key challenge in these tight formations is that the majority of the pore sizes are less than 50 nm. At this scale, the fluid properties are affected by nanoconfinement effects due to the increased fluid-solid interactions. For instance, gas adsorption to the pore walls could account for up to 85% of the total hydrocarbon volume in a tight reservoir. Although there are analytical solutions that describe this phenomenon for simple geometries, they are not suitable for describing realistic pores, where surface roughness and geometric anisotropy play important roles. To describe these, molecular dynamics (MD) simulations are used since they consider fluid-solid and fluid-fluid interactions at the molecular level. However, MD simulations are computationally expensive, and are not able to simulate scales larger than a few connected nanopores. We present a method for building and training physics-based deep learning surrogate models to carry out fast and accurate predictions of molecular configurations of gas inside nanopores. Since training deep learning models requires extensive databases that are computationally expensive to create, we employ active learning (AL). AL reduces the overhead of creating comprehensive sets of high-fidelity data by determining where the model uncertainty is greatest, and running simulations on the fly to minimize it. The proposed workflow enables nanoconfinement effects to be rigorously considered at the mesoscale where complex connected sets of nanopores control key applications such as hydrocarbon recovery and CO2 sequestration.

TORQUE: A Reading Comprehension Dataset of Temporal Ordering Questions

A critical part of reading is being able to understand the temporal relationships between events described in a passage of text, even when those relationships are not explicitly stated. However, current machine reading comprehension benchmarks have practically no questions that test temporal phenomena, so systems trained on these benchmarks have no capacity to answer questions such as "what happened before/after [some event]?" We introduce TORQUE, a new English reading comprehension benchmark built on 3.2k news snippets with 21k human-generated questions querying temporal relationships. Results show that RoBERTa-large achieves an exact-match score of 51% on the test set of TORQUE, about 30% behind human performance.

Integer Quantization for Deep Learning Inference: Principles and Empirical Evaluation

Quantization techniques can reduce the size of Deep Neural Networks and improve inference latency and throughput by taking advantage of high throughput integer instructions. In this paper we review the mathematical aspects of quantization parameters and evaluate their choices on a wide range of neural network models for different application domains, including vision, speech, and language. We focus on quantization techniques that are amenable to acceleration by processors with high-throughput integer math pipelines. We also present a workflow for 8-bit quantization that is able to maintain accuracy within 1% of the floating-point baseline on all networks studied, including models that are more difficult to quantize, such as MobileNets and BERT-large.

Masked Face Recognition Dataset and Application

In order to effectively prevent the spread of COVID-19 virus, almost everyone wears a mask during coronavirus epidemic. This almost makes conventional facial recognition technology ineffective in many cases, such as community access control, face access control, facial attendance, facial security checks at train stations, etc. Therefore, it is very urgent to improve the recognition performance of the existing face recognition technology on the masked faces. Most current advanced face recognition approaches are designed based on deep learning, which depend on a large number of face samples. However, at present, there are no publicly available masked face recognition datasets. To this end, this work proposes three types of masked face datasets, including Masked Face Detection Dataset (MFDD), Real-world Masked Face Recognition Dataset (RMFRD) and Simulated Masked Face Recognition Dataset (SMFRD). Among them, to the best of our knowledge, RMFRD is currently theworld's largest real-world masked face dataset. These datasets are freely available to industry and academia, based on which various applications on masked faces can be developed. The multi-granularity masked face recognition model we developed achieves 95% accuracy, exceeding the results reported by the industry. Our datasets are available at: https://github.com/X-zhangyang/Real-World-Masked-Face-Dataset.

Fully Convolutional Networks for Automatically Generating Image Masks to Train Mask R-CNN

This paper proposes a novel automatically generating image masks method for the state-of-the-art Mask R-CNN deep learning method. The Mask R-CNN method achieves the best results in object detection until now, however, it is very time-consuming and laborious to get the object Masks for training, the proposed method is composed by a two-stage design, to automatically generating image masks, the first stage implements a fully convolutional networks (FCN) based segmentation network, the second stage network, a Mask R-CNN based object detection network, which is trained on the object image masks from FCN output, the original input image, and additional label information. Through experimentation, our proposed method can obtain the image masks automatically to train Mask R-CNN, and it can achieve very high classification accuracy with an over 90% mean of average precision (mAP) for segmentation

Stochastic Normalizing Flows

Normalizing flows are popular generative learning methods that train an invertible function to transform a simple prior distribution into a complicated target distribution. Here we generalize the framework by introducing Stochastic Normalizing Flows (SNF) - an arbitrary sequence of deterministic invertible functions and stochastic processes such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics. This combination can be powerful as adding stochasticity to a flow helps overcoming expressiveness limitations of a chosen deterministic invertible function, while the trainable flow transformations can improve the sampling efficiency over pure MCMC. Key to our approach is that we can match a marginal target density without having to marginalize out the stochasticity of traversed paths. Invoking ideas from nonequilibrium statistical mechanics, we introduce a training method that only uses conditional path probabilities. We can turn an SNF into a Boltzmann Generator that samples asymptotically unbiased from a given target density by importance sampling of these paths. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks.

DeepDualMapper: A Gated Fusion Network for Automatic Map Extraction using Aerial Images and Trajectories

Automatic map extraction is of great importance to urban computing and location-based services. Aerial image and GPS trajectory data refer to two different data sources that could be leveraged to generate the map, although they carry different types of information. Most previous works on data fusion between aerial images and data from auxiliary sensors do not fully utilize the information of both modalities and hence suffer from the issue of information loss. We propose a deep convolutional neural network called DeepDualMapper which fuses the aerial image and trajectory data in a more seamless manner to extract the digital map. We design a gated fusion module to explicitly control the information flows from both modalities in a complementary-aware manner. Moreover, we propose a novel densely supervised refinement decoder to generate the prediction in a coarse-to-fine way. Our comprehensive experiments demonstrate that DeepDualMapper can fuse the information of images and trajectories much more effectively than existing approaches, and is able to generate maps with higher accuracy.

Structural-Aware Sentence Similarity with Recursive Optimal Transport

Measuring sentence similarity is a classic topic in natural language processing. Light-weighted similarities are still of particular practical significance even when deep learning models have succeeded in many other tasks. Some light-weighted similarities with more theoretical insights have been demonstrated to be even stronger than supervised deep learning approaches. However, the successful light-weighted models such as Word Mover's Distance [Kusner et al., 2015] or Smooth Inverse Frequency [Arora et al., 2017] failed to detect the difference from the structure of sentences, i.e. order of words. To address this issue, we present Recursive Optimal Transport (ROT) framework to incorporate the structural information with the classic OT. Moreover, we further develop Recursive Optimal Similarity (ROTS) for sentences with the valuable semantic insights from the connections between cosine similarity of weighted average of word vectors and optimal transport. ROTS is structural-aware and with low time complexity compared to optimal transport. Our experiments over 20 sentence textural similarity (STS) datasets show the clear advantage of ROTS over all weakly supervised approaches. Detailed ablation study demonstrate the effectiveness of ROT and the semantic insights.

Mastering Complex Control in MOBA Games with Deep Reinforcement Learning

We study the reinforcement learning problem of complex action control in the Multi-player Online Battle Arena (MOBA) 1v1 games. This problem involves far more complicated state and action spaces than those of traditional 1v1 games, such as Go and Atari series, which makes it very difficult to search any policies with human-level performance. In this paper, we present a deep reinforcement learning framework to tackle this problem from the perspectives of both system and algorithm. Our system is of low coupling and high scalability, which enables efficient explorations at large scale. Our algorithm includes several novel strategies, including control dependency decoupling, action mask, target attention, and dual-clip PPO, with which our proposed actor-critic network can be effectively trained in our system. Tested on the MOBA game Honor of Kings, the trained AI agents can defeat top professional human players in full 1v1 games.