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The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La$_{1-x}$Sr$_x$FeO$_3$. We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision., Comment: 30 pages, 5 figures, 2 tables

We present a method for the unsupervised segmentation of electron microscopy images, which are powerful descriptors of materials and chemical systems. Images are oversegmented into overlapping chips, and similarity graphs are generated from embeddings extracted from a domain$\unicode{x2010}$pretrained convolutional neural network (CNN). The Louvain method for community detection is then applied to perform segmentation. The graph representation provides an intuitive way of presenting the relationship between chips and communities. We demonstrate our method to track irradiation$\unicode{x2010}$induced amorphous fronts in thin films used for catalysis and electronics. This method has potential for "on$\unicode{x2010}$the$\unicode{x2010}$fly" segmentation to guide emerging automated electron microscopes., Comment: 7 pages, 3 figures. Accepted to Machine Learning and the Physical Sciences Workshop, NeurIPS 2023

Fine-tuning a pre-trained deep neural network has become a successful paradigm in various machine learning tasks. However, such a paradigm becomes particularly challenging with tabular data when there are discrepancies between the feature sets of pre-trained models and the target tasks. In this paper, we propose TabToken, a method aims at enhancing the quality of feature tokens (i.e., embeddings of tabular features). TabToken allows for the utilization of pre-trained models when the upstream and downstream tasks share overlapping features, facilitating model fine-tuning even with limited training examples. Specifically, we introduce a contrastive objective that regularizes the tokens, capturing the semantics within and across features. During the pre-training stage, the tokens are learned jointly with top-layer deep models such as transformer. In the downstream task, tokens of the shared features are kept fixed while TabToken efficiently fine-tunes the remaining parts of the model. TabToken not only enables knowledge transfer from a pre-trained model to tasks with heterogeneous features, but also enhances the discriminative ability of deep tabular models in standard classification and regression tasks.

Bi-layer metallic tube (BMT) plays an extremely crucial role in engineering applications, with rotary draw bending (RDB) the high-precision bending processing can be achieved, however, the product will further springback. Due to the complex structure of BMT and the high cost of dataset acquisi-tion, the existing methods based on mechanism research and machine learn-ing cannot meet the engineering requirements of springback prediction. Based on the preliminary mechanism analysis, a physical logic enhanced network (PE-NET) is proposed. The architecture includes ES-NET which equivalent the BMT to the single-layer tube, and SP-NET for the final predic-tion of springback with sufficient single-layer tube samples. Specifically, in the first stage, with the theory-driven pre-exploration and the data-driven pretraining, the ES-NET and SP-NET are constructed, respectively. In the second stage, under the physical logic, the PE-NET is assembled by ES-NET and SP-NET and then fine-tuned with the small sample BMT dataset and composite loss function. The validity and stability of the proposed method are verified by the FE simulation dataset, the small-sample dataset BMT springback angle prediction is achieved, and the method potential in inter-pretability and engineering applications are demonstrated.

Recent work shows that deep neural networks are vulnerable to adversarial examples. Much work studies adversarial example generation, while very little work focuses on more critical adversarial defense. Existing adversarial detection methods usually make assumptions about the adversarial example and attack method (e.g., the word frequency of the adversarial example, the perturbation level of the attack method). However, this limits the applicability of the detection method. To this end, we propose TREATED, a universal adversarial detection method that can defend against attacks of various perturbation levels without making any assumptions. TREATED identifies adversarial examples through a set of well-designed reference models. Extensive experiments on three competitive neural networks and two widely used datasets show that our method achieves better detection performance than baselines. We finally conduct ablation studies to verify the effectiveness of our method.

Fundamental machine learning theory shows that different samples contribute unequally both in learning and testing processes. Contemporary studies on DNN imply that such sample difference is rooted on the distribution of intrinsic pattern information, namely sample regularity. Motivated by the recent discovery on network memorization and generalization, we proposed a pair of sample regularity measures for both processes with a formulation-consistent representation. Specifically, cumulative binary training/generalizing loss (CBTL/CBGL), the cumulative number of correct classiffcations of the training/testing sample within training stage, is proposed to quantize the stability in memorization-generalization process; while forgetting/mal-generalizing events, i.e., the mis-classification of previously learned or generalized sample, are utilized to represent the uncertainty of sample regularity with respect to optimization dynamics. Experiments validated the effectiveness and robustness of the proposed approaches for mini-batch SGD optimization. Further applications on training/testing sample selection show the proposed measures sharing the unified computing procedure could benefit for both tasks., Comment: 20 pages, 13 figures, 3 tables

Deep Neural Network classifiers are vulnerable to adversarial attack, where an imperceptible perturbation could result in misclassification. However, the vulnerability of DNN-based image ranking systems remains under-explored. In this paper, we propose two attacks against deep ranking systems, i.e., Candidate Attack and Query Attack, that can raise or lower the rank of chosen candidates by adversarial perturbations. Specifically, the expected ranking order is first represented as a set of inequalities, and then a triplet-like objective function is designed to obtain the optimal perturbation. Conversely, an anti-collapse triplet defense is proposed to improve the ranking model robustness against all proposed attacks, where the model learns to prevent the positive and negative samples being pulled close to each other by adversarial attack. To comprehensively measure the empirical adversarial robustness of a ranking model with our defense, we propose an empirical robustness score, which involves a set of representative attacks against ranking models. Our adversarial ranking attacks and defenses are evaluated on MNIST, Fashion-MNIST, CUB200-2011, CARS196 and Stanford Online Products datasets. Experimental results demonstrate that a typical deep ranking system can be effectively compromised by our attacks. Nevertheless, our defense can significantly improve the ranking system robustness, and simultaneously mitigate a wide range of attacks.

The key procedure of haze image translation through adversarial training lies in the disentanglement between the feature only involved in haze synthesis, i.e.style feature, and the feature representing the invariant semantic content, i.e. content feature. Previous methods separate content feature apart by utilizing it to classify haze image during the training process. However, in this paper we recognize the incompleteness of the content-style disentanglement in such technical routine. The flawed style feature entangled with content information inevitably leads the ill-rendering of the haze images. To address, we propose a self-supervised style regression via stochastic linear interpolation to reduce the content information in style feature. The ablative experiments demonstrate the disentangling completeness and its superiority in level-aware haze image synthesis. Moreover, the generated haze data are applied in the testing generalization of vehicle detectors. Further study between haze-level and detection performance shows that haze has obvious impact on the generalization of the vehicle detectors and such performance degrading level is linearly correlated to the haze-level, which, in turn, validates the effectiveness of the proposed method., Comment: 21 pages, 19 figures, 6 tables

Recent studies unveil the vulnerabilities of deep ranking models, where an imperceptible perturbation can trigger dramatic changes in the ranking result. While previous attempts focus on manipulating absolute ranks of certain candidates, the possibility of adjusting their relative order remains under-explored. In this paper, we formulate a new adversarial attack against deep ranking systems, i.e., the Order Attack, which covertly alters the relative order among a selected set of candidates according to an attacker-specified permutation, with limited interference to other unrelated candidates. Specifically, it is formulated as a triplet-style loss imposing an inequality chain reflecting the specified permutation. However, direct optimization of such white-box objective is infeasible in a real-world attack scenario due to various black-box limitations. To cope with them, we propose a Short-range Ranking Correlation metric as a surrogate objective for black-box Order Attack to approximate the white-box method. The Order Attack is evaluated on the Fashion-MNIST and Stanford-Online-Products datasets under both white-box and black-box threat models. The black-box attack is also successfully implemented on a major e-commerce platform. Comprehensive experimental evaluations demonstrate the effectiveness of the proposed methods, revealing a new type of ranking model vulnerability., Comment: ICCV2021 Poster

Deep Neural Network (DNN) classifiers are vulnerable to adversarial attack, where an imperceptible perturbation could result in misclassification. However, the vulnerability of DNN-based image ranking systems remains under-explored. In this paper, we propose two attacks against deep ranking systems, i.e., Candidate Attack and Query Attack, that can raise or lower the rank of chosen candidates by adversarial perturbations. Specifically, the expected ranking order is first represented as a set of inequalities, and then a triplet-like objective function is designed to obtain the optimal perturbation. Conversely, a defense method is also proposed to improve the ranking system robustness, which can mitigate all the proposed attacks simultaneously. Our adversarial ranking attacks and defense are evaluated on datasets including MNIST, Fashion-MNIST, and Stanford-Online-Products. Experimental results demonstrate that a typical deep ranking system can be effectively compromised by our attacks. Meanwhile, the system robustness can be moderately improved with our defense. Furthermore, the transferable and universal properties of our adversary illustrate the possibility of realistic black-box attack., Comment: ECCV2020