arXiv subjects

Xiaoxiao Wang

Publications and source records attributed to Xiaoxiao Wang.

30 records · Page 2Linked to original sources

arXiv2022

Opportunistic Episodic Reinforcement Learning

In this paper, we propose and study opportunistic reinforcement learning - a new variant of reinforcement learning problems where the regret of selecting a suboptimal action varies under an external environmental condition known as the variation factor. When the variation factor is low, so is the regret of selecting a suboptimal action and vice versa. Our intuition is to exploit more when the variation factor is high, and explore more when the variation factor is low. We demonstrate the benefit of this novel framework for finite-horizon episodic MDPs by designing and evaluating OppUCRL2 and OppPSRL algorithms. Our algorithms dynamically balance the exploration-exploitation trade-off for reinforcement learning by introducing variation factor-dependent optimism to guide exploration. We establish an $\tilde{O}(HS \sqrt{AT})$ regret bound for the OppUCRL2 algorithm and show through simulations that both OppUCRL2 and OppPSRL algorithm outperform their original corresponding algorithms.

cs.LG↗

arXiv2022

FINETUNA: Fine-tuning Accelerated Molecular Simulations

Machine learning approaches have the potential to approximate Density Functional Theory (DFT) for atomistic simulations in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. However, they are limited by their accuracy and the cost of generating labeled data. Here, we present an online active learning framework for accelerating the simulation of atomic systems efficiently and accurately by incorporating prior physical information learned by large-scale pre-trained graph neural network models from the Open Catalyst Project. Accelerating these simulations enables useful data to be generated more cheaply, allowing better models to be trained and more atomistic systems to be screened. We also present a method of comparing local optimization techniques on the basis of both their speed and accuracy. Experiments on 30 benchmark adsorbate-catalyst systems show that our method of transfer learning to incorporate prior information from pre-trained models accelerates simulations by reducing the number of DFT calculations by 91%, while meeting an accuracy threshold of 0.02 eV 93% of the time. Finally, we demonstrate a technique for leveraging the interactive functionality built in to VASP to efficiently compute single point calculations within our online active learning framework without the significant startup costs. This allows VASP to work in tandem with our framework while requiring 75% fewer self-consistent cycles than conventional single point calculations. The online active learning implementation, and examples using the VASP interactive code, are available in the open source FINETUNA package on Github.

physics.comp-ph↗

arXiv2021

Attention module improves both performance and interpretability of 4D fMRI decoding neural network

Decoding brain cognitive states from neuroimaging signals is an important topic in neuroscience. In recent years, deep neural networks (DNNs) have been recruited for multiple brain state decoding and achieved good performance. However, the open question of how to interpret the DNN black box remains unanswered. Capitalizing on advances in machine learning, we integrated attention modules into brain decoders to facilitate an in-depth interpretation of DNN channels. A 4D convolution operation was also included to extract temporo-spatial interaction within the fMRI signal. The experiments showed that the proposed model obtains a very high accuracy (97.4%) and outperforms previous researches on the 7 different task benchmarks from the Human Connectome Project (HCP) dataset. The visualization analysis further illustrated the hierarchical emergence of task-specific masks with depth. Finally, the model was retrained to regress individual traits within the HCP and to classify viewing images from the BOLD5000 dataset, respectively. Transfer learning also achieves good performance. A further visualization analysis shows that, after transfer learning, low-level attention masks remained similar to the source domain, whereas high-level attention masks changed adaptively. In conclusion, the proposed 4D model with attention module performed well and facilitated interpretation of DNNs, which is helpful for subsequent research.

eess.IV↗

arXiv2020

Observation of spin-momentum-layer locking in centrosymmetric BiOI

Spin polarization effects in nonmagnetic materials are generally believed as an outcome of spin-orbit coupling provided that the global inversion symmetry is lacking, also known as 'spin-momentum locking'. The recently discovered hidden spin polarization indicates that specific atomic site asymmetry could also induce measurable spin polarization, leading to a paradigm shift to centrosymmetric crystals for potential spintronic applications. Here, combining spin- and angle-resolved photoemission spectroscopy and theoretical calculations, we report distinct spin-layer locking phenomena surrounding different high-symmetry momenta in a centrosymmetric, layered material BiOI. The measured spin is highly polarized along the Brillouin zone boundary, while is almost vanishing around the zone center due to its nonsymmorphic crystal structure. Our work not only demonstrates the existence of hidden spin polarization, but also uncovers the microscopic mechanism of the way spin, momentum and layer locking to each other, shedding lights on the design metrics for future spintronic devices.

cond-mat.mtrl-sci↗

arXiv2020

Visualizing half-metallic bulk band structure with multiple Weyl cones of the Heusler ferromagnet

Using a well-focused soft X-ray synchrotron radiation beam, angle-resolved photoelectron spectroscopy was applied to a full-Heusler-type Co$_2$MnGe alloy to elucidate its bulk band structure. A large parabolic band at the Brillouin zone center and several bands that cross the Fermi level near the Brillouin zone boundary were identified in line with the results from first-principles calculations. These Fermi level crossings are ascribed to majority spin bands that are responsible for electron transport with extremely high spin polarization especially along the direction being perpendicular to the interface of magneto-resistive devices. The spectroscopy confirms there is no contribution of the minority spin bands to the Fermi surface, signifying half-metallicity for the alloy. Furthermore, two topological Weyl cones with band crossing points were identified around the $X$ point, yielding the conclusion that Co$_2$MnGe could exhibit topologically meaningful behavior such as large anomalous Hall and Nernst effects driven by the Berry flux in its half-metallic band structure.

cond-mat.mtrl-sci↗

arXiv2020

BWCNN: Blink to Word, a Real-Time Convolutional Neural Network Approach

Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease of the brain and the spinal cord, which leads to paralysis of motor functions. Patients retain their ability to blink, which can be used for communication. Here, We present an Artificial Intelligence (AI) system that uses eye-blinks to communicate with the outside world, running on real-time Internet-of-Things (IoT) devices. The system uses a Convolutional Neural Network (CNN) to find the blinking pattern, which is defined as a series of Open and Closed states. Each pattern is mapped to a collection of words that manifest the patient's intent. To investigate the best trade-off between accuracy and latency, we investigated several Convolutional Network architectures, such as ResNet, SqueezeNet, DenseNet, and InceptionV3, and evaluated their performance. We found that the InceptionV3 architecture, after hyper-parameter fine-tuning on the specific task led to the best performance with an accuracy of 99.20% and 94ms latency. This work demonstrates how the latest advances in deep learning architectures can be adapted for clinical systems that ameliorate the patient's quality of life regardless of the point-of-care.

cs.CV↗

arXiv2020

SPSTracker: Sub-Peak Suppression of Response Map for Robust Object Tracking

Modern visual trackers usually construct online learning models under the assumption that the feature response has a Gaussian distribution with target-centered peak response. Nevertheless, such an assumption is implausible when there is progressive interference from other targets and/or background noise, which produce sub-peaks on the tracking response map and cause model drift. In this paper, we propose a rectified online learning approach for sub-peak response suppression and peak response enforcement and target at handling progressive interference in a systematic way. Our approach, referred to as SPSTracker, applies simple-yet-efficient Peak Response Pooling (PRP) to aggregate and align discriminative features, as well as leveraging a Boundary Response Truncation (BRT) to reduce the variance of feature response. By fusing with multi-scale features, SPSTracker aggregates the response distribution of multiple sub-peaks to a single maximum peak, which enforces the discriminative capability of features for robust object tracking. Experiments on the OTB, NFS and VOT2018 benchmarks demonstrate that SPSTrack outperforms the state-of-the-art real-time trackers with significant margins.

cs.CV↗

arXiv2019

Decoding and mapping task states of the human brain via deep learning

Support vector machine (SVM) based multivariate pattern analysis (MVPA) has delivered promising performance in decoding specific task states based on functional magnetic resonance imaging (fMRI) of the human brain. Conventionally, the SVM-MVPA requires careful feature selection/extraction according to expert knowledge. In this study, we propose a deep neural network (DNN) for directly decoding multiple brain task states from fMRI signals of the brain without any burden for feature handcrafts. We trained and tested the DNN classifier using task fMRI data from the Human Connectome Project's S1200 dataset (N=1034). In tests to verify its performance, the proposed classification method identified seven tasks with an average accuracy of 93.7%. We also showed the general applicability of the DNN for transfer learning to small datasets (N=43), a situation encountered in typical neuroscience research. The proposed method achieved an average accuracy of 89.0% and 94.7% on a working memory task and a motor classification task, respectively, higher than the accuracy of 69.2% and 68.6% obtained by the SVM-MVPA. A network visualization analysis showed that the DNN automatically detected features from areas of the brain related to each task. Without incurring the burden of handcrafting the features, the proposed deep decoding method can classify brain task states highly accurately, and is a powerful tool for fMRI researchers.

q-bio.NC↗

arXiv2019

Kernel-based Multi-Task Contextual Bandits in Cellular Network Configuration

Cellular network configuration plays a critical role in network performance. In current practice, network configuration depends heavily on field experience of engineers and often remains static for a long period of time. This practice is far from optimal. To address this limitation, online-learning-based approaches have great potentials to automate and optimize network configuration. Learning-based approaches face the challenges of learning a highly complex function for each base station and balancing the fundamental exploration-exploitation tradeoff while minimizing the exploration cost. Fortunately, in cellular networks, base stations (BSs) often have similarities even though they are not identical. To leverage such similarities, we propose kernel-based multi-BS contextual bandit algorithm based on multi-task learning. In the algorithm, we leverage the similarity among different BSs defined by conditional kernel embedding. We present theoretical analysis of the proposed algorithm in terms of regret and multi-task-learning efficiency. We evaluate the effectiveness of our algorithm based on a simulator built by real traces.

cs.LG↗

arXiv2019

AdaLinUCB: Opportunistic Learning for Contextual Bandits

In this paper, we propose and study opportunistic contextual bandits - a special case of contextual bandits where the exploration cost varies under different environmental conditions, such as network load or return variation in recommendations. When the exploration cost is low, so is the actual regret of pulling a sub-optimal arm (e.g., trying a suboptimal recommendation). Therefore, intuitively, we could explore more when the exploration cost is relatively low and exploit more when the exploration cost is relatively high. Inspired by this intuition, for opportunistic contextual bandits with Linear payoffs, we propose an Adaptive Upper-Confidence-Bound algorithm (AdaLinUCB) to adaptively balance the exploration-exploitation trade-off for opportunistic learning. We prove that AdaLinUCB achieves O((log T)^2) problem-dependent regret upper bound, which has a smaller coefficient than that of the traditional LinUCB algorithm. Moreover, based on both synthetic and real-world dataset, we show that AdaLinUCB significantly outperforms other contextual bandit algorithms, under large exploration cost fluctuations.

cs.LG↗

arXiv2019

RGB-T Image Saliency Detection via Collaborative Graph Learning

Image saliency detection is an active research topic in the community of computer vision and multimedia. Fusing complementary RGB and thermal infrared data has been proven to be effective for image saliency detection. In this paper, we propose an effective approach for RGB-T image saliency detection. Our approach relies on a novel collaborative graph learning algorithm. In particular, we take superpixels as graph nodes, and collaboratively use hierarchical deep features to jointly learn graph affinity and node saliency in a unified optimization framework. Moreover, we contribute a more challenging dataset for the purpose of RGB-T image saliency detection, which contains 1000 spatially aligned RGB-T image pairs and their ground truth annotations. Extensive experiments on the public dataset and the newly created dataset suggest that the proposed approach performs favorably against the state-of-the-art RGB-T saliency detection methods.

cs.CV↗

arXiv2016

Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3(110)

We report high temperature superconductivity in one unit-cell (1-UC) FeSe films grown on STO(110) substrate by molecular beam epitaxy. By in-situ scanning tunneling spectroscopy measurement, we observed a superconducting gap as large as 17 meV. Transport measurements on 1-UC FeSe/STO(110) capped with FeTe layers reveal superconductivity with an onset TC of 31.6 K and an upper critical magnetic field of 30.2 T. We also find that the TC can be further increased by an external electric field, but the effect is smaller than that on STO(001) substrate. The study points out the important roles of interface related charge transfer and electron-phonon coupling in the high temperature superconductivity of FeSe/STO.

cond-mat.supr-con↗