Hui Li

Hui Li, Jinghan Jia, Shijun Liang et al.

Although deep learning (DL) has gained much popularity for accelerated magnetic resonance imaging (MRI), recent studies have shown that DL-based MRI reconstruction models could be oversensitive to tiny input perturbations (that are called 'adversarial perturbations'), which cause unstable, low-quality reconstructed images. This raises the question of how to design robust DL methods for MRI reconstruction. To address this problem, we propose a novel image reconstruction framework, termed SMOOTHED UNROLLING (SMUG), which advances a deep unrolling-based MRI reconstruction model using a randomized smoothing (RS)-based robust learning operation. RS, which improves the tolerance of a model against input noises, has been widely used in the design of adversarial defense for image classification. Yet, we find that the conventional design that applies RS to the entire DL process is ineffective for MRI reconstruction. We show that SMUG addresses the above issue by customizing the RS operation based on the unrolling architecture of the DL-based MRI reconstruction model. Compared to the vanilla RS approach and several variants of SMUG, we show that SMUG improves the robustness of MRI reconstruction with respect to a diverse set of perturbation sources, including perturbations to the input measurements, different measurement sampling rates, and different unrolling steps. Code for SMUG will be available at https://github.com/LGM70/SMUG.

Chenyu Xue, Fan Wang, Yuanzhuo Zhu et al.

Deploying reliable deep learning techniques in interdisciplinary applications needs learned models to output accurate and (even more importantly) explainable predictions. Existing approaches typically explicate network outputs in a post-hoc fashion, under an implicit assumption that faithful explanations come from accurate predictions/classifications. We have an opposite claim that explanations boost (or even determine) classification. That is, end-to-end learning of explanation factors to augment discriminative representation extraction could be a more intuitive strategy to inversely assure fine-grained explainability, e.g., in those neuroimaging and neuroscience studies with high-dimensional data containing noisy, redundant, and task-irrelevant information. In this paper, we propose such an explainable geometric deep network dubbed as NeuroExplainer, with applications to uncover altered infant cortical development patterns associated with preterm birth. Given fundamental cortical attributes as network input, our NeuroExplainer adopts a hierarchical attention-decoding framework to learn fine-grained attentions and respective discriminative representations to accurately recognize preterm infants from term-born infants at term-equivalent age. NeuroExplainer learns the hierarchical attention-decoding modules under subject-level weak supervision coupled with targeted regularizers deduced from domain knowledge regarding brain development. These prior-guided constraints implicitly maximizes the explainability metrics (i.e., fidelity, sparsity, and stability) in network training, driving the learned network to output detailed explanations and accurate classifications. Experimental results on the public dHCP benchmark suggest that NeuroExplainer led to quantitatively reliable explanation results that are qualitatively consistent with representative neuroimaging studies.

Yining Wang, Xumeng Gong, Shaochuan Li et al.

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic understanding of its function. Therefore, antibody structure prediction from its sequence alone has always been a highly valuable problem for de novo antibody design. AlphaFold2, a breakthrough in the field of structural biology, provides a solution to predict protein structure based on protein sequences and computationally expensive coevolutionary multiple sequence alignments (MSAs). However, the computational efficiency and undesirable prediction accuracy of antibodies, especially on the complementarity-determining regions (CDRs) of antibodies limit their applications in the industrially high-throughput drug design. To learn an informative representation of antibodies, we employed a deep antibody language model (ALM) on curated sequences from the observed antibody space database via a transformer model. We also developed a novel model named xTrimoABFold to predict antibody structure from antibody sequence based on the pretrained ALM as well as efficient evoformers and structural modules. The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss. xTrimoABFold outperforms AlphaFold2 and other protein language model based SOTAs, e.g., OmegaFold, HelixFold-Single, and IgFold with a large significant margin (30+\% improvement on RMSD) while performing 151 times faster than AlphaFold2. To the best of our knowledge, xTrimoABFold achieved state-of-the-art antibody structure prediction. Its improvement in both accuracy and efficiency makes it a valuable tool for de novo antibody design and could make further improvements in immuno-theory.

Yanni Li, Wenhui Zhang, Jiawei Liu et al.

Despite the fact that deep neural networks (DNNs) have achieved prominent performance in various applications, it is well known that DNNs are vulnerable to adversarial examples/samples (AEs) with imperceptible perturbations in clean/original samples. To overcome the weakness of the existing defense methods against adversarial attacks, which damages the information on the original samples, leading to the decrease of the target classifier accuracy, this paper presents an enhanced countering adversarial attack method IDFR (via Input Denoising and Feature Restoring). The proposed IDFR is made up of an enhanced input denoiser (ID) and a hidden lossy feature restorer (FR) based on the convex hull optimization. Extensive experiments conducted on benchmark datasets show that the proposed IDFR outperforms the various state-of-the-art defense methods, and is highly effective for protecting target models against various adversarial black-box or white-box attacks. \footnote{Souce code is released at: \href{https://github.com/ID-FR/IDFR}{https://github.com/ID-FR/IDFR}}

Hui Li, Carlos A. Pena Solorzano, Susan Wei et al.

The ADMANI datasets (annotated digital mammograms and associated non-image datasets) from the Transforming Breast Cancer Screening with AI programme (BRAIx) run by BreastScreen Victoria in Australia are multi-centre, large scale, clinically curated, real-world databases. The datasets are expected to aid in the development of clinically relevant Artificial Intelligence (AI) algorithms for breast cancer detection, early diagnosis, and other applications. To ensure high data quality, technical outliers must be removed before any downstream algorithm development. As a first step, we randomly select 30,000 individual mammograms and use Convolutional Variational Autoencoder (CVAE), a deep generative neural network, to detect outliers. CVAE is expected to detect all sorts of outliers, although its detection performance differs among different types of outliers. Traditional image processing techniques such as erosion and pectoral muscle analysis can compensate for the poor performance of CVAE in certain outlier types. We identify seven types of technical outliers: implant, pacemaker, cardiac loop recorder, improper radiography, atypical lesion/calcification, incorrect exposure parameter and improper placement. The outlier recall rate for the test set is 61% if CVAE, erosion and pectoral muscle analysis each select the top 1% images ranked in ascending or descending order according to image outlier score under each detection method, and 83% if each selects the top 5% images. This study offers an overview of technical outliers in the ADMANI dataset and suggests future directions to improve outlier detection effectiveness.

Jieliang Luo, Hui Li

We present a novel technique called Dynamic Experience Replay (DER) that allows Reinforcement Learning (RL) algorithms to use experience replay samples not only from human demonstrations but also successful transitions generated by RL agents during training and therefore improve training efficiency. It can be combined with an arbitrary off-policy RL algorithm, such as DDPG or DQN, and their distributed versions. We build upon Ape-X DDPG and demonstrate our approach on robotic tight-fitting joint assembly tasks, based on force/torque and Cartesian pose observations. In particular, we run experiments on two different tasks: peg-in-hole and lap-joint. In each case, we compare different replay buffer structures and how DER affects them. Our ablation studies show that Dynamic Experience Replay is a crucial ingredient that either largely shortens the training time in these challenging environments or solves the tasks that the vanilla Ape-X DDPG cannot solve. We also show that our policies learned purely in simulation can be deployed successfully on the real robot. The video presenting our experiments is available at https://sites.google.com/site/dynamicexperiencereplay

Ye Liu, Hui Li, Alberto Garcia-Duran et al.

We present MMKG, a collection of three knowledge graphs that contain both numerical features and (links to) images for all entities as well as entity alignments between pairs of KGs. Therefore, multi-relational link prediction and entity matching communities can benefit from this resource. We believe this data set has the potential to facilitate the development of novel multi-modal learning approaches for knowledge graphs.We validate the utility ofMMKG in the sameAs link prediction task with an extensive set of experiments. These experiments show that the task at hand benefits from learning of multiple feature types.

Hui Li, Ye Liu, Yan Qiu Chen

Complex motion patterns of natural systems, such as fish schools, bird flocks, and cell groups, have attracted great attention from scientists for years. Trajectory measurement of individuals is vital for quantitative and high-throughput study of their collective behaviors. However, such data are rare mainly due to the challenges of detection and tracking of large numbers of objects with similar visual features and frequent occlusions. We present an automatic and effective framework to measure trajectories of large numbers of crowded oval-shaped objects, such as fish and cells. We first use a novel dual ellipse locator to detect the coarse position of each individual and then propose a variance minimization active contour method to obtain the optimal segmentation results. For tracking, cost matrix of assignment between consecutive frames is trainable via a random forest classifier with many spatial, texture, and shape features. The optimal trajectories are found for the whole image sequence by solving two linear assignment problems. We evaluate the proposed method on many challenging data sets.

Hanjun Dai, Hui Li, Tian Tian et al.

Deep learning on graph structures has shown exciting results in various applications. However, few attentions have been paid to the robustness of such models, in contrast to numerous research work for image or text adversarial attack and defense. In this paper, we focus on the adversarial attacks that fool the model by modifying the combinatorial structure of data. We first propose a reinforcement learning based attack method that learns the generalizable attack policy, while only requiring prediction labels from the target classifier. Also, variants of genetic algorithms and gradient methods are presented in the scenario where prediction confidence or gradients are available. We use both synthetic and real-world data to show that, a family of Graph Neural Network models are vulnerable to these attacks, in both graph-level and node-level classification tasks. We also show such attacks can be used to diagnose the learned classifiers.