arXiv subjects

Lijun Zhang

Publications and source records attributed to Lijun Zhang.

At least 181 records · Page 10Linked to original sources

arXiv2022

Inorganic Crystal Structure Prototype Database based on Unsupervised Learning of Local Atomic Environments

Recognition of structure prototypes from tremendous known inorganic crystal structures has been an important subject beneficial for material science research and new materials design. The existing databases of inorganic crystal structure prototypes were mostly constructed by classifying materials in terms of the crystallographic space group information. Herein, we employed a distinct strategy to construct the inorganic crystal structure prototype database, relying on the classification of materials in terms of local atomic environments (LAE) accompanied by unsupervised machine learning method. Specifically, we adopted a hierarchical clustering approach onto all experimentally known inorganic crystal structures data to identify structure prototypes. The criterion for hierarchical clustering is the LAE represented by the state-of-the-art structure fingerprints of the improved bond-orientational order parameters and the smooth overlap of atomic positions. This allows us to build up a LAE-based Inorganic Crystal Structure Prototype Database (LAE-ICSPD) containing 15,613 structure prototypes with defined stoichiometries. In addition, we have developed a Structure Prototype Generator Infrastructure (SPGI) package, which is a useful toolkit for structure prototype generation. Our developed SPGI toolkit and LAE-ICSPD are beneficial for investigating inorganic materials in a global way as well as accelerating materials discovery process in the data-driven mode.

cond-mat.mtrl-sci↗

arXiv2022

Defensive Design of Saturating Counters Based on Differential Privacy

The saturating counter is the basic module of the dynamic branch predictor, which involves the core technique to improve instruction level parallelism performance in modern processors. However, most studies focus on the performance improvement and hardware consumption of saturating counters, while ignoring the security problems they may cause. In this paper, we creatively propose to study and design saturating counters from the defense perspective of differential privacy, so that attackers cannot distinguish the states that saturating counters are in and further infer sensitive information. To obtain theoretical guarantees, we use Markov chain to formalize the attack algorithm applied to the saturating counter, investigate into the optimal attack strategy and calculate the probability of successful attack. Furthermore, we find that the attacker is able to accurately guess the branch execution of the victim's process in the existing saturating counters. To avoid this, we design a new probabilistic saturating counter, which generalizes the existing conventional and probabilistic saturating counters. The guarantee of differential privacy is applied to deduce parameters of the new saturating counters so that the security requirement can be satisfied. We also theoretically calculate the misprediction rate when the saturating counter reaches the steady state. The experimental results on testing programs show that the calculated theoretical results agree with the experimental performances. Compared with the existing conventional and probabilistic saturating counters, when the parameters of our designed models are selected appropriately, the new saturating counters can not only ensure similar operational performance, but also establish strict security guarantee.

cs.CR↗

arXiv2022

A Tree-Structured Multi-Task Model Recommender

Tree-structured multi-task architectures have been employed to jointly tackle multiple vision tasks in the context of multi-task learning (MTL). The major challenge is to determine where to branch out for each task given a backbone model to optimize for both task accuracy and computation efficiency. To address the challenge, this paper proposes a recommender that, given a set of tasks and a convolutional neural network-based backbone model, automatically suggests tree-structured multi-task architectures that could achieve a high task performance while meeting a user-specified computation budget without performing model training. Extensive evaluations on popular MTL benchmarks show that the recommended architectures could achieve competitive task accuracy and computation efficiency compared with state-of-the-art MTL methods. Our tree-structured multi-task model recommender is open-sourced and available at https://github.com/zhanglijun95/TreeMTL.

cs.LG↗

arXiv2022

Smoothed Online Convex Optimization Based on Discounted-Normal-Predictor

In this paper, we investigate an online prediction strategy named as Discounted-Normal-Predictor (Kapralov and Panigrahy, 2010) for smoothed online convex optimization (SOCO), in which the learner needs to minimize not only the hitting cost but also the switching cost. In the setting of learning with expert advice, Daniely and Mansour (2019) demonstrate that Discounted-Normal-Predictor can be utilized to yield nearly optimal regret bounds over any interval, even in the presence of switching costs. Inspired by their results, we develop a simple algorithm for SOCO: Combining online gradient descent (OGD) with different step sizes sequentially by Discounted-Normal-Predictor. Despite its simplicity, we prove that it is able to minimize the adaptive regret with switching cost, i.e., attaining nearly optimal regret with switching cost on every interval. By exploiting the theoretical guarantee of OGD for dynamic regret, we further show that the proposed algorithm can minimize the dynamic regret with switching cost in every interval.

cs.LG↗

arXiv2022

Towards Practical Robustness Analysis for DNNs based on PAC-Model Learning

To analyse local robustness properties of deep neural networks (DNNs), we present a practical framework from a model learning perspective. Based on black-box model learning with scenario optimisation, we abstract the local behaviour of a DNN via an affine model with the probably approximately correct (PAC) guarantee. From the learned model, we can infer the corresponding PAC-model robustness property. The innovation of our work is the integration of model learning into PAC robustness analysis: that is, we construct a PAC guarantee on the model level instead of sample distribution, which induces a more faithful and accurate robustness evaluation. This is in contrast to existing statistical methods without model learning. We implement our method in a prototypical tool named DeepPAC. As a black-box method, DeepPAC is scalable and efficient, especially when DNNs have complex structures or high-dimensional inputs. We extensively evaluate DeepPAC, with 4 baselines (using formal verification, statistical methods, testing and adversarial attack) and 20 DNN models across 3 datasets, including MNIST, CIFAR-10, and ImageNet. It is shown that DeepPAC outperforms the state-of-the-art statistical method PROVERO, and it achieves more practical robustness analysis than the formal verification tool ERAN. Also, its results are consistent with existing DNN testing work like DeepGini.

cs.LG↗

arXiv2022

Adaptive Deep Learning for Entity Resolution by Risk Analysis

The state-of-the-art performance on entity resolution (ER) has been achieved by deep learning. However, deep models are usually trained on large quantities of accurately labeled training data, and can not be easily tuned towards a target workload. Unfortunately, in real scenarios, there may not be sufficient labeled training data, and even worse, their distribution is usually more or less different from the target workload even when they come from the same domain. To alleviate the said limitations, this paper proposes a novel risk-based approach to tune a deep model towards a target workload by its particular characteristics. Built on the recent advances on risk analysis for ER, the proposed approach first trains a deep model on labeled training data, and then fine-tunes it by minimizing its estimated misprediction risk on unlabeled target data. Our theoretical analysis shows that risk-based adaptive training can correct the label status of a mispredicted instance with a fairly good chance. We have also empirically validated the efficacy of the proposed approach on real benchmark data by a comparative study. Our extensive experiments show that it can considerably improve the performance of deep models. Furthermore, in the scenario of distribution misalignment, it can similarly outperform the state-of-the-art alternative of transfer learning by considerable margins. Using ER as a test case, we demonstrate that risk-based adaptive training is a promising approach potentially applicable to various challenging classification tasks.

cs.LG↗

arXiv2022

Rethinking Hard-Parameter Sharing in Multi-Domain Learning

Hard parameter sharing in multi-domain learning (MDL) allows domains to share some of the model parameters to reduce storage cost while improving prediction accuracy. One common sharing practice is to share the bottom layers of a deep neural network among domains while using separate top layers for each domain. In this work, we revisit this common practice via an empirical study on image classification tasks from a diverse set of visual domains and make two surprising observations. (1) Using separate bottom-layer parameters could achieve significantly better performance than the common practice and this phenomenon holds with different experimental settings. (2) A multi-domain model with a small proportion of domain-specific parameters from bottom layers can achieve competitive performance with independent models trained on each domain separately. Our observations suggest that people adopt the new strategy of using separate bottom-layer parameters as a stronger baseline for model design in MDL.

cs.LG↗

arXiv2022

Momentum Accelerates the Convergence of Stochastic AUPRC Maximization

In this paper, we study stochastic optimization of areas under precision-recall curves (AUPRC), which is widely used for combating imbalanced classification tasks. Although a few methods have been proposed for maximizing AUPRC, stochastic optimization of AUPRC with convergence guarantee remains an undeveloped territory. A state-of-the-art complexity is $O(1/ε^5)$ for finding an $ε$-stationary solution. In this paper, we further improve the stochastic optimization of AURPC by (i) developing novel stochastic momentum methods with a better iteration complexity of $O(1/ε^4)$ for finding an $ε$-stationary solution; and (ii) designing a novel family of stochastic adaptive methods with the same iteration complexity, which enjoy faster convergence in practice. To this end, we propose two innovative techniques that are critical for improving the convergence: (i) the biased estimators for tracking individual ranking scores are updated in a randomized coordinate-wise manner; and (ii) a momentum update is used on top of the stochastic gradient estimator for tracking the gradient of the objective. The novel analysis of Adam-style updates is also one main contribution. Extensive experiments on various data sets demonstrate the effectiveness of the proposed algorithms. Of independent interest, the proposed stochastic momentum and adaptive algorithms are also applicable to a class of two-level stochastic dependent compositional optimization problems.

cs.LG↗

arXiv2021

A Simple Approach for Non-stationary Linear Bandits

This paper investigates the problem of non-stationary linear bandits, where the unknown regression parameter is evolving over time. Existing studies develop various algorithms and show that they enjoy an $\widetilde{\mathcal{O}}(T^{2/3}P_T^{1/3})$ dynamic regret, where $T$ is the time horizon and $P_T$ is the path-length that measures the fluctuation of the evolving unknown parameter. In this paper, we discover that a serious technical flaw makes their results ungrounded, and then present a fix, which gives an $\widetilde{\mathcal{O}}(T^{3/4}P_T^{1/4})$ dynamic regret without modifying original algorithms. Furthermore, we demonstrate that instead of using sophisticated mechanisms, such as sliding window or weighted penalty, a simple restarted strategy is sufficient to attain the same regret guarantee. Specifically, we design an UCB-type algorithm to balance exploitation and exploration, and restart it periodically to handle the drift of unknown parameters. Our approach enjoys an $\widetilde{\mathcal{O}}(T^{3/4}P_T^{1/4})$ dynamic regret. Note that to achieve this bound, the algorithm requires an oracle knowledge of the path-length $P_T$. Combining the bandits-over-bandits mechanism by treating our algorithm as the base learner, we can further achieve the same regret bound in a parameter-free way. Empirical studies also validate the effectiveness of our approach.

cs.LG↗

arXiv2021

Toward Compact Parameter Representations for Architecture-Agnostic Neural Network Compression

This paper investigates deep neural network (DNN) compression from the perspective of compactly representing and storing trained parameters. We explore the previously overlooked opportunity of cross-layer architecture-agnostic representation sharing for DNN parameters. To do this, we decouple feedforward parameters from DNN architectures and leverage additive quantization, an extreme lossy compression method invented for image descriptors, to compactly represent the parameters. The representations are then finetuned on task objectives to improve task accuracy. We conduct extensive experiments on MobileNet-v2, VGG-11, ResNet-50, Feature Pyramid Networks, and pruned DNNs trained for classification, detection, and segmentation tasks. The conceptually simple scheme consistently outperforms iterative unstructured pruning. Applied to ResNet-50 with 76.1% top-1 accuracy on the ILSVRC12 classification challenge, it achieves a $7.2\times$ compression ratio with no accuracy loss and a $15.3\times$ compression ratio at 74.79% accuracy. Further analyses suggest that representation sharing can frequently happen across network layers and that learning shared representations for an entire DNN can achieve better accuracy at the same compression ratio than compressing the model as multiple separate parts. We release PyTorch code to facilitate DNN deployment on resource-constrained devices and spur future research on efficient representations and storage of DNN parameters.

cs.CV↗

arXiv2021

Verifying Pufferfish Privacy in Hidden Markov Models

Pufferfish is a Bayesian privacy framework for designing and analyzing privacy mechanisms. It refines differential privacy, the current gold standard in data privacy, by allowing explicit prior knowledge in privacy analysis. Through these privacy frameworks, a number of privacy mechanisms have been developed in literature. In practice, privacy mechanisms often need be modified or adjusted to specific applications. Their privacy risks have to be re-evaluated for different circumstances. Moreover, computing devices only approximate continuous noises through floating-point computation, which is discrete in nature. Privacy proofs can thus be complicated and prone to errors. Such tedious tasks can be burdensome to average data curators. In this paper, we propose an automatic verification technique for Pufferfish privacy. We use hidden Markov models to specify and analyze discretized Pufferfish privacy mechanisms. We show that the Pufferfish verification problem in hidden Markov models is NP-hard. Using Satisfiability Modulo Theories solvers, we propose an algorithm to analyze privacy requirements. We implement our algorithm in a prototypical tool called FAIER, and present several case studies. Surprisingly, our case studies show that naïve discretization of well-established privacy mechanisms often fail, witnessed by counterexamples generated by FAIER. In discretized \emph{Above Threshold}, we show that it results in absolutely no privacy. Finally, we compare our approach with testing based approach on several case studies, and show that our verification technique can be combined with testing based approach for the purpose of (i) efficiently certifying counterexamples and (ii) obtaining a better lower bound for the privacy budget $ε$.

cs.CR↗

arXiv2021

HRegNet: A Hierarchical Network for Large-scale Outdoor LiDAR Point Cloud Registration

Point cloud registration is a fundamental problem in 3D computer vision. Outdoor LiDAR point clouds are typically large-scale and complexly distributed, which makes the registration challenging. In this paper, we propose an efficient hierarchical network named HRegNet for large-scale outdoor LiDAR point cloud registration. Instead of using all points in the point clouds, HRegNet performs registration on hierarchically extracted keypoints and descriptors. The overall framework combines the reliable features in deeper layer and the precise position information in shallower layers to achieve robust and precise registration. We present a correspondence network to generate correct and accurate keypoints correspondences. Moreover, bilateral consensus and neighborhood consensus are introduced for keypoints matching and novel similarity features are designed to incorporate them into the correspondence network, which significantly improves the registration performance. Besides, the whole network is also highly efficient since only a small number of keypoints are used for registration. Extensive experiments are conducted on two large-scale outdoor LiDAR point cloud datasets to demonstrate the high accuracy and efficiency of the proposed HRegNet. The project website is https://ispc-group.github.io/hregnet.

cs.CV↗

arXiv2021

Probabilistic Verification of Neural Networks Against Group Fairness

Fairness is crucial for neural networks which are used in applications with important societal implication. Recently, there have been multiple attempts on improving fairness of neural networks, with a focus on fairness testing (e.g., generating individual discriminatory instances) and fairness training (e.g., enhancing fairness through augmented training). In this work, we propose an approach to formally verify neural networks against fairness, with a focus on independence-based fairness such as group fairness. Our method is built upon an approach for learning Markov Chains from a user-provided neural network (i.e., a feed-forward neural network or a recurrent neural network) which is guaranteed to facilitate sound analysis. The learned Markov Chain not only allows us to verify (with Probably Approximate Correctness guarantee) whether the neural network is fair or not, but also facilities sensitivity analysis which helps to understand why fairness is violated. We demonstrate that with our analysis results, the neural weights can be optimized to improve fairness. Our approach has been evaluated with multiple models trained on benchmark datasets and the experiment results show that our approach is effective and efficient.

cs.LG↗

arXiv2021

Randomized Stochastic Variance-Reduced Methods for Multi-Task Stochastic Bilevel Optimization

In this paper, we consider non-convex stochastic bilevel optimization (SBO) problems that have many applications in machine learning. Although numerous studies have proposed stochastic algorithms for solving these problems, they are limited in two perspectives: (i) their sample complexities are high, which do not match the state-of-the-art result for non-convex stochastic optimization; (ii) their algorithms are tailored to problems with only one lower-level problem. When there are many lower-level problems, it could be prohibitive to process all these lower-level problems at each iteration. To address these limitations, this paper proposes fast randomized stochastic algorithms for non-convex SBO problems. First, we present a stochastic method for non-convex SBO with only one lower problem and establish its sample complexity of $O(1/ε^3)$ for finding an $ε$-stationary point under Lipschitz continuous conditions of stochastic oracles, matching the lower bound for stochastic smooth non-convex optimization. Second, we present a randomized stochastic method for non-convex SBO with $m>1$ lower level problems (multi-task SBO) by processing a constant number of lower problems at each iteration, and establish its sample complexity no worse than $O(m/ε^3)$, which could be a better complexity than that of simply processing all $m$ lower problems at each iteration. Lastly, we establish even faster convergence results for gradient-dominant functions. To the best of our knowledge, this is the first work considering multi-task SBO and developing state-of-the-art sample complexity results.

math.OC↗

arXiv2021

Prediction with Unpredictable Feature Evolution

Learning with feature evolution studies the scenario where the features of the data streams can evolve, i.e., old features vanish and new features emerge. Its goal is to keep the model always performing well even when the features happen to evolve. To tackle this problem, canonical methods assume that the old features will vanish simultaneously and the new features themselves will emerge simultaneously as well. They also assume there is an overlapping period where old and new features both exist when the feature space starts to change. However, in reality, the feature evolution could be unpredictable, which means the features can vanish or emerge arbitrarily, causing the overlapping period incomplete. In this paper, we propose a novel paradigm: Prediction with Unpredictable Feature Evolution (PUFE) where the feature evolution is unpredictable. To address this problem, we fill the incomplete overlapping period and formulate it as a new matrix completion problem. We give a theoretical bound on the least number of observed entries to make the overlapping period intact. With this intact overlapping period, we leverage an ensemble method to take the advantage of both the old and new feature spaces without manually deciding which base models should be incorporated. Theoretical and experimental results validate that our method can always follow the best base models and thus realize the goal of learning with feature evolution.

cs.LG↗

arXiv2021

Ensemble Defense with Data Diversity: Weak Correlation Implies Strong Robustness

In this paper, we propose a framework of filter-based ensemble of deep neuralnetworks (DNNs) to defend against adversarial attacks. The framework builds an ensemble of sub-models -- DNNs with differentiated preprocessing filters. From the theoretical perspective of DNN robustness, we argue that under the assumption of high quality of the filters, the weaker the correlations of the sensitivity of the filters are, the more robust the ensemble model tends to be, and this is corroborated by the experiments of transfer-based attacks. Correspondingly, we propose a principle that chooses the specific filters with smaller Pearson correlation coefficients, which ensures the diversity of the inputs received by DNNs, as well as the effectiveness of the entire framework against attacks. Our ensemble models are more robust than those constructed by previous defense methods like adversarial training, and even competitive with the classical ensemble of adversarial trained DNNs under adversarial attacks when the attacking radius is large.

cs.LG↗

arXiv2021

NAST: Non-Autoregressive Spatial-Temporal Transformer for Time Series Forecasting

Although Transformer has made breakthrough success in widespread domains especially in Natural Language Processing (NLP), applying it to time series forecasting is still a great challenge. In time series forecasting, the autoregressive decoding of canonical Transformer models could introduce huge accumulative errors inevitably. Besides, utilizing Transformer to deal with spatial-temporal dependencies in the problem still faces tough difficulties.~To tackle these limitations, this work is the first attempt to propose a Non-Autoregressive Transformer architecture for time series forecasting, aiming at overcoming the time delay and accumulative error issues in the canonical Transformer. Moreover, we present a novel spatial-temporal attention mechanism, building a bridge by a learned temporal influence map to fill the gaps between the spatial and temporal attention, so that spatial and temporal dependencies can be processed integrally. Empirically, we evaluate our model on diversified ego-centric future localization datasets and demonstrate state-of-the-art performance on both real-time and accuracy.

cs.LG↗

arXiv2021

Revisiting Smoothed Online Learning

In this paper, we revisit the problem of smoothed online learning, in which the online learner suffers both a hitting cost and a switching cost, and target two performance metrics: competitive ratio and dynamic regret with switching cost. To bound the competitive ratio, we assume the hitting cost is known to the learner in each round, and investigate the simple idea of balancing the two costs by an optimization problem. Surprisingly, we find that minimizing the hitting cost alone is $\max(1, \frac{2}α)$-competitive for $α$-polyhedral functions and $1 + \frac{4}λ$-competitive for $λ$-quadratic growth functions, both of which improve state-of-the-art results significantly. Moreover, when the hitting cost is both convex and $λ$-quadratic growth, we reduce the competitive ratio to $1 + \frac{2}{\sqrtλ}$ by minimizing the weighted sum of the hitting cost and the switching cost. To bound the dynamic regret with switching cost, we follow the standard setting of online convex optimization, in which the hitting cost is convex but hidden from the learner before making predictions. We modify Ader, an existing algorithm designed for dynamic regret, slightly to take into account the switching cost when measuring the performance. The proposed algorithm, named as Smoothed Ader, attains an optimal $O(\sqrt{T(1+P_T)})$ bound for dynamic regret with switching cost, where $P_T$ is the path-length of the comparator sequence. Furthermore, if the hitting cost is accessible in the beginning of each round, we obtain a similar guarantee without the bounded gradient condition, and establish an $Ω(\sqrt{T(1+P_T)})$ lower bound to confirm the optimality.

cs.LG↗