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.

Domain adaptation aims to transfer the knowledge acquired by models trained on (data-rich) source domains to (low-resource) target domains, for which a popular method is invariant representation learning. While they have been studied extensively for classification and regression problems, how they apply to ranking problems, where the data and metrics have a list structure, is not well understood. Theoretically, we establish a domain adaptation generalization bound for ranking under listwise metrics such as MRR and NDCG. The bound suggests an adaptation method via learning list-level domain-invariant feature representations, whose benefits are empirically demonstrated by unsupervised domain adaptation experiments on real-world ranking tasks, including passage reranking. A key message is that for domain adaptation, the representations should be analyzed at the same level at which the metric is computed, as we show that learning invariant representations at the list level is most effective for adaptation on ranking problems.

We introduce anchored radial observations (ARO), a novel shape encoding for learning neural field representation of shapes that is category-agnostic and generalizable amid significant shape variations. The main idea behind our work is to reason about shapes through partial observations from a set of viewpoints, called anchors. We develop a general and unified shape representation by employing a fixed set of anchors, via Fibonacci sampling, and designing a coordinate-based deep neural network to predict the occupancy value of a query point in space. Differently from prior neural implicit models, that use global shape feature, our shape encoder operates on contextual, query-specific features. To predict point occupancy, locally observed shape information from the perspective of the anchors surrounding the input query point are encoded and aggregated through an attention module, before implicit decoding is performed. We demonstrate the quality and generality of our network, coined ARO-Net, on surface reconstruction from sparse point clouds, with tests on novel and unseen object categories, "one-shape" training, and comparisons to state-of-the-art neural and classical methods for reconstruction and tessellation.

Ultra-fine entity typing (UFET) predicts extremely free-formed types (e.g., president, politician) of a given entity mention (e.g., Joe Biden) in context. State-of-the-art (SOTA) methods use the cross-encoder (CE) based architecture. CE concatenates the mention (and its context) with each type and feeds the pairs into a pretrained language model (PLM) to score their relevance. It brings deeper interaction between mention and types to reach better performance but has to perform N (type set size) forward passes to infer types of a single mention. CE is therefore very slow in inference when the type set is large (e.g., N = 10k for UFET). To this end, we propose to perform entity typing in a recall-expand-filter manner. The recall and expand stages prune the large type set and generate K (K is typically less than 256) most relevant type candidates for each mention. At the filter stage, we use a novel model called MCCE to concurrently encode and score these K candidates in only one forward pass to obtain the final type prediction. We investigate different variants of MCCE and extensive experiments show that MCCE under our paradigm reaches SOTA performance on ultra-fine entity typing and is thousands of times faster than the cross-encoder. We also found MCCE is very effective in fine-grained (130 types) and coarse-grained (9 types) entity typing. Our code is available at \url{https://github.com/modelscope/AdaSeq/tree/master/examples/MCCE}.

U-shaped networks are widely used in various medical image tasks, such as segmentation, restoration and reconstruction, but most of them usually rely on centralized learning and thus ignore privacy issues. To address the privacy concerns, federated learning (FL) and split learning (SL) have attracted increasing attention. However, it is hard for both FL and SL to balance the local computational cost, model privacy and parallel training simultaneously. To achieve this goal, in this paper, we propose Robust Split Federated Learning (RoS-FL) for U-shaped medical image networks, which is a novel hybrid learning paradigm of FL and SL. Previous works cannot preserve the data privacy, including the input, model parameters, label and output simultaneously. To effectively deal with all of them, we design a novel splitting method for U-shaped medical image networks, which splits the network into three parts hosted by different parties. Besides, the distributed learning methods usually suffer from a drift between local and global models caused by data heterogeneity. Based on this consideration, we propose a dynamic weight correction strategy (\textbf{DWCS}) to stabilize the training process and avoid model drift. Specifically, a weight correction loss is designed to quantify the drift between the models from two adjacent communication rounds. By minimizing this loss, a correction model is obtained. Then we treat the weighted sum of correction model and final round models as the result. The effectiveness of the proposed RoS-FL is supported by extensive experimental results on different tasks. Related codes will be released at https://github.com/Zi-YuanYang/RoS-FL.

Adversarial attacks on thermal infrared imaging expose the risk of related applications. Estimating the security of these systems is essential for safely deploying them in the real world. In many cases, realizing the attacks in the physical space requires elaborate special perturbations. These solutions are often \emph{impractical} and \emph{attention-grabbing}. To address the need for a physically practical and stealthy adversarial attack, we introduce \textsc{HotCold} Block, a novel physical attack for infrared detectors that hide persons utilizing the wearable Warming Paste and Cooling Paste. By attaching these readily available temperature-controlled materials to the body, \textsc{HotCold} Block evades human eyes efficiently. Moreover, unlike existing methods that build adversarial patches with complex texture and structure features, \textsc{HotCold} Block utilizes an SSP-oriented adversarial optimization algorithm that enables attacks with pure color blocks and explores the influence of size, shape, and position on attack performance. Extensive experimental results in both digital and physical environments demonstrate the performance of our proposed \textsc{HotCold} Block. \emph{Code is available: \textcolor{magenta}{https://github.com/weihui1308/HOTCOLDBlock}}.

Convolutional Neural Networks (CNNs) have demonstrated superiority in learning patterns, but are sensitive to label noises and may overfit noisy labels during training. The early stopping strategy averts updating CNNs during the early training phase and is widely employed in the presence of noisy labels. Motivated by biological findings that the amplitude spectrum (AS) and phase spectrum (PS) in the frequency domain play different roles in the animal's vision system, we observe that PS, which captures more semantic information, can increase the robustness of DNNs to label noise, more so than AS can. We thus propose early stops at different times for AS and PS by disentangling the features of some layer(s) into AS and PS using Discrete Fourier Transform (DFT) during training. Our proposed Phase-AmplituDe DisentangLed Early Stopping (PADDLES) method is shown to be effective on both synthetic and real-world label-noise datasets. PADDLES outperforms other early stopping methods and obtains state-of-the-art performance.

Anomaly detection and localization are widely used in industrial manufacturing for its efficiency and effectiveness. Anomalies are rare and hard to collect and supervised models easily over-fit to these seen anomalies with a handful of abnormal samples, producing unsatisfactory performance. On the other hand, anomalies are typically subtle, hard to discern, and of various appearance, making it difficult to detect anomalies and let alone locate anomalous regions. To address these issues, we propose a framework called Prototypical Residual Network (PRN), which learns feature residuals of varying scales and sizes between anomalous and normal patterns to accurately reconstruct the segmentation maps of anomalous regions. PRN mainly consists of two parts: multi-scale prototypes that explicitly represent the residual features of anomalies to normal patterns; a multisize self-attention mechanism that enables variable-sized anomalous feature learning. Besides, we present a variety of anomaly generation strategies that consider both seen and unseen appearance variance to enlarge and diversify anomalies. Extensive experiments on the challenging and widely used MVTec AD benchmark show that PRN outperforms current state-of-the-art unsupervised and supervised methods. We further report SOTA results on three additional datasets to demonstrate the effectiveness and generalizability of PRN.

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.

Alignment between image and text has shown promising improvements on patch-level pre-trained document image models. However, investigating more effective or finer-grained alignment techniques during pre-training requires a large amount of computation cost and time. Thus, a question naturally arises: Could we fine-tune the pre-trained models adaptive to downstream tasks with alignment objectives and achieve comparable or better performance? In this paper, we propose a new model architecture with alignment-enriched tuning (dubbed AETNet) upon pre-trained document image models, to adapt downstream tasks with the joint task-specific supervised and alignment-aware contrastive objective. Specifically, we introduce an extra visual transformer as the alignment-ware image encoder and an extra text transformer as the alignment-ware text encoder before multimodal fusion. We consider alignment in the following three aspects: 1) document-level alignment by leveraging the cross-modal and intra-modal contrastive loss; 2) global-local alignment for modeling localized and structural information in document images; and 3) local-level alignment for more accurate patch-level information. Experiments on various downstream tasks show that AETNet can achieve state-of-the-art performance on various downstream tasks. Notably, AETNet consistently outperforms state-of-the-art pre-trained models, such as LayoutLMv3 with fine-tuning techniques, on three different downstream tasks.