Enabling target-aware molecule generation to follow multi objectives with Pareto MCTS.

Target-aware drug discovery has greatly accelerated the drug discovery process to design small-molecule ligands with high binding affinity to disease-related protein targets. Conditioned on targeted proteins, previous works utilize various kinds of deep generative models and have shown great potential in generating molecules with strong protein-ligand binding interactions. However, beyond binding affinity, effective drug molecules must manifest other essential properties such as high drug-likeness, which are not explicitly addressed by current target-aware generative methods. In this article, aiming to bridge the gap of multi-objective target-aware molecule generation in the field of deep learning-based drug discovery, we propose ParetoDrug, a Pareto Monte Carlo Tree Search (MCTS) generation algorithm. ParetoDrug searches molecules on the Pareto Front in chemical space using MCTS to enable synchronous optimization of multiple properties. Specifically, ParetoDrug utilizes pretrained atom-by-atom autoregressive generative models for the exploration guidance to desired molecules during MCTS searching. Besides, when selecting the next atom symbol, a scheme named ParetoPUCT is proposed to balance exploration and exploitation. Benchmark experiments and case studies demonstrate that ParetoDrug is highly effective in traversing the large and complex chemical space to discover novel compounds with satisfactory binding affinities and drug-like properties for various multi-objective target-aware drug discovery tasks.

S2Former-OR: Single-Stage Bi-Modal Transformer for Scene Graph Generation in OR.

Scene graph generation (SGG) of surgical procedures is crucial in enhancing holistically cognitive intelligence in the operating room (OR). However, previous works have primarily relied on multi-stage learning, where the generated semantic scene graphs depend on intermediate processes with pose estimation and object detection. This pipeline may potentially compromise the flexibility of learning multimodal representations, consequently constraining the overall effectiveness. In this study, we introduce a novel single-stage bi-modal transformer framework for SGG in the OR, termed, S2Former-OR, aimed to complementally leverage multi-view 2D scenes and 3D point clouds for SGG in an end-to-end manner. Concretely, our model embraces a View-Sync Transfusion scheme to encourage multi-view visual information interaction. Concurrently, a Geometry-Visual Cohesion operation is designed to integrate the synergic 2D semantic features into 3D point cloud features. Moreover, based on the augmented feature, we propose a novel relation-sensitive transformer decoder that embeds dynamic entity-pair queries and relational trait priors, which enables the direct prediction of entity-pair relations for graph generation without intermediate steps. Extensive experiments have validated the superior SGG performance and lower computational cost of S2Former-OR on 4D-OR benchmark, compared with current OR-SGG methods, e.g., 3 percentage points Precision increase and 24.2M reduction in model parameters. We further compared our method with generic single-stage SGG methods with broader metrics for a comprehensive evaluation, with consistently better performance achieved. Our source code can be made available at: https://github.com/PJLallen/S2Former-OR.

3DSAM-adapter: Holistic adaptation of SAM from 2D to 3D for promptable tumor segmentation.

Despite that the segment anything model (SAM) achieved impressive results on general-purpose semantic segmentation with strong generalization ability on daily images, its demonstrated performance on medical image segmentation is less precise and unstable, especially when dealing with tumor segmentation tasks that involve objects of small sizes, irregular shapes, and low contrast. Notably, the original SAM architecture is designed for 2D natural images and, therefore would not be able to extract the 3D spatial information from volumetric medical data effectively. In this paper, we propose a novel adaptation method for transferring SAM from 2D to 3D for promptable medical image segmentation. Through a holistically designed scheme for architecture modification, we transfer the SAM to support volumetric inputs while retaining the majority of its pre-trained parameters for reuse. The fine-tuning process is conducted in a parameter-efficient manner, wherein most of the pre-trained parameters remain frozen, and only a few lightweight spatial adapters are introduced and tuned. Regardless of the domain gap between natural and medical data and the disparity in the spatial arrangement between 2D and 3D, the transformer trained on natural images can effectively capture the spatial patterns present in volumetric medical images with only lightweight adaptations. We conduct experiments on four open-source tumor segmentation datasets, and with a single click prompt, our model can outperform domain state-of-the-art medical image segmentation models and interactive segmentation models. We also compared our adaptation method with existing popular adapters and observed significant performance improvement on most datasets. Our code and models are available at: https://github.com/med-air/3DSAM-adapter.

MA-SAM: Modality-agnostic SAM adaptation for 3D medical image segmentation.

The Segment Anything Model (SAM), a foundation model for general image segmentation, has demonstrated impressive zero-shot performance across numerous natural image segmentation tasks. However, SAM's performance significantly declines when applied to medical images, primarily due to the substantial disparity between natural and medical image domains. To effectively adapt SAM to medical images, it is important to incorporate critical third-dimensional information, i.e., volumetric or temporal knowledge, during fine-tuning. Simultaneously, we aim to harness SAM's pre-trained weights within its original 2D backbone to the fullest extent. In this paper, we introduce a modality-agnostic SAM adaptation framework, named as MA-SAM, that is applicable to various volumetric and video medical data. Our method roots in the parameter-efficient fine-tuning strategy to update only a small portion of weight increments while preserving the majority of SAM's pre-trained weights. By injecting a series of 3D adapters into the transformer blocks of the image encoder, our method enables the pre-trained 2D backbone to extract third-dimensional information from input data. We comprehensively evaluate our method on five medical image segmentation tasks, by using 11 public datasets across CT, MRI, and surgical video data. Remarkably, without using any prompt, our method consistently outperforms various state-of-the-art 3D approaches, surpassing nnU-Net by 0.9%, 2.6%, and 9.9% in Dice for CT multi-organ segmentation, MRI prostate segmentation, and surgical scene segmentation respectively. Our model also demonstrates strong generalization, and excels in challenging tumor segmentation when prompts are used. Our code is available at: https://github.com/cchen-cc/MA-SAM.

Deep learning-based image quality assessment for optical coherence tomography macular scans: a multicentre study.

AIMS: To develop and externally test deep learning (DL) models for assessing the image quality of three-dimensional (3D) macular scans from Cirrus and Spectralis optical coherence tomography devices. METHODS: We retrospectively collected two data sets including 2277 Cirrus 3D scans and 1557 Spectralis 3D scans, respectively, for training (70%), fine-tuning (10%) and internal validation (20%) from electronic medical and research records at The Chinese University of Hong Kong Eye Centre and the Hong Kong Eye Hospital. Scans with various eye diseases (eg, diabetic macular oedema, age-related macular degeneration, polypoidal choroidal vasculopathy and pathological myopia), and scans of normal eyes from adults and children were included. Two graders labelled each 3D scan as gradable or ungradable, according to standardised criteria. We used a 3D version of the residual network (ResNet)-18 for Cirrus 3D scans and a multiple-instance learning pipline with ResNet-18 for Spectralis 3D scans. Two deep learning (DL) models were further tested via three unseen Cirrus data sets from Singapore and five unseen Spectralis data sets from India, Australia and Hong Kong, respectively. RESULTS: In the internal validation, the models achieved the area under curves (AUCs) of 0.930 (0.885-0.976) and 0.906 (0.863-0.948) for assessing the Cirrus 3D scans and Spectralis 3D scans, respectively. In the external testing, the models showed robust performance with AUCs ranging from 0.832 (0.730-0.934) to 0.930 (0.906-0.953) and 0.891 (0.836-0.945) to 0.962 (0.918-1.000), respectively. CONCLUSIONS: Our models could be used for filtering out ungradable 3D scans and further incorporated with a disease-detection DL model, allowing a fully automated eye disease detection workflow.

CalibNet: Dual-Branch Cross-Modal Calibration for RGB-D Salient Instance Segmentation.

In this study, we propose a novel approach for RGB-D salient instance segmentation using a dual-branch cross-modal feature calibration architecture called CalibNet. Our method simultaneously calibrates depth and RGB features in the kernel and mask branches to generate instance-aware kernels and mask features. CalibNet consists of three simple modules, a dynamic interactive kernel (DIK) and a weight-sharing fusion (WSF), which work together to generate effective instance-aware kernels and integrate cross-modal features. To improve the quality of depth features, we incorporate a depth similarity assessment (DSA) module prior to DIK and WSF. In addition, we further contribute a new DSIS dataset, which contains 1,940 images with elaborate instance-level annotations. Extensive experiments on three challenging benchmarks show that CalibNet yields a promising result, i.e., 58.0% AP with 320×480 input size on the COME15K-E test set, which significantly surpasses the alternative frameworks. Our code and dataset will be publicly available at: https://github.com/PJLallen/CalibNet.

Semantic-Oriented Visual Prompt Learning for Diabetic Retinopathy Grading on Fundus Images.

Diabetic retinopathy (DR) is a serious ocular condition that requires effective monitoring and treatment by ophthalmologists. However, constructing a reliable DR grading model remains a challenging and costly task, heavily reliant on high-quality training sets and adequate hardware resources. In this paper, we investigate the knowledge transferability of large-scale pre-trained models (LPMs) to fundus images based on prompt learning to construct a DR grading model efficiently. Unlike full-tuning which fine-tunes all parameters of LPMs, prompt learning only involves a minimal number of additional learnable parameters while achieving a competitive effect as full-tuning. Inspired by visual prompt tuning, we propose Semantic-oriented Visual Prompt Learning (SVPL) to enhance the semantic perception ability for better extracting task-specific knowledge from LPMs, without any additional annotations. Specifically, SVPL assigns a group of learnable prompts for each DR level to fit the complex pathological manifestations and then aligns each prompt group to task-specific semantic space via a contrastive group alignment (CGA) module. We also propose a plug-and-play adapter module, Hierarchical Semantic Delivery (HSD), which allows the semantic transition of prompt groups from shallow to deep layers to facilitate efficient knowledge mining and model convergence. Our extensive experiments on three public DR grading datasets demonstrate that SVPL achieves superior results compared to other transfer tuning and DR grading methods. Further analysis suggests that the generalized knowledge from LPMs is advantageous for constructing the DR grading model on fundus images.

Multimodal digital assessment of depression with actigraphy and app in Hong Kong Chinese.

There is an emerging potential for digital assessment of depression. In this study, Chinese patients with major depressive disorder (MDD) and controls underwent a week of multimodal measurement including actigraphy and app-based measures (D-MOMO) to record rest-activity, facial expression, voice, and mood states. Seven machine-learning models (Random Forest [RF], Logistic regression [LR], Support vector machine [SVM], K-Nearest Neighbors [KNN], Decision tree [DT], Naive Bayes [NB], and Artificial Neural Networks [ANN]) with leave-one-out cross-validation were applied to detect lifetime diagnosis of MDD and non-remission status. Eighty MDD subjects and 76 age- and sex-matched controls completed the actigraphy, while 61 MDD subjects and 47 controls completed the app-based assessment. MDD subjects had lower mobile time (P = 0.006), later sleep midpoint (P = 0.047) and Acrophase (P = 0.024) than controls. For app measurement, MDD subjects had more frequent brow lowering (P = 0.023), less lip corner pulling (P = 0.007), higher pause variability (P = 0.046), more frequent self-reference (P = 0.024) and negative emotion words (P = 0.002), lower articulation rate (P < 0.001) and happiness level (P < 0.001) than controls. With the fusion of all digital modalities, the predictive performance (F1-score) of ANN for a lifetime diagnosis of MDD was 0.81 and 0.70 for non-remission status when combined with the HADS-D item score, respectively. Multimodal digital measurement is a feasible diagnostic tool for depression in Chinese. A combination of multimodal measurement and machine-learning approach has enhanced the performance of digital markers in phenotyping and diagnosis of MDD.

A Dual Enrichment Synergistic Strategy to Handle Data Heterogeneity for Domain Incremental Cardiac Segmentation.

Upon remarkable progress in cardiac image segmentation, contemporary studies dedicate to further upgrading model functionality toward perfection, through progressively exploring the sequentially delivered datasets over time by domain incremental learning. Existing works mainly concentrated on addressing the heterogeneous style variations, but overlooked the critical shape variations across domains hidden behind the sub-disease composition discrepancy. In case the updated model catastrophically forgets the sub-diseases that were learned in past domains but are no longer present in the subsequent domains, we proposed a dual enrichment synergistic strategy to incrementally broaden model competence for a growing number of sub-diseases. The data-enriched scheme aims to diversify the shape composition of current training data via displacement-aware shape encoding and decoding, to gradually build up the robustness against cross-domain shape variations. Meanwhile, the model-enriched scheme intends to strengthen model capabilities by progressively appending and consolidating the latest expertise into a dynamically-expanded multi-expert network, to gradually cultivate the generalization ability over style-variated domains. The above two schemes work in synergy to collaboratively upgrade model capabilities in two-pronged manners. We have extensively evaluated our network with the ACDC and M&Ms datasets in single-domain and compound-domain incremental learning settings. Our approach outperformed other competing methods and achieved comparable results to the upper bound.

Deep Omni-Supervised Learning for Rib Fracture Detection From Chest Radiology Images.

Deep learning (DL)-based rib fracture detection has shown promise of playing an important role in preventing mortality and improving patient outcome. Normally, developing DL-based object detection models requires a huge amount of bounding box annotation. However, annotating medical data is time-consuming and expertise-demanding, making obtaining a large amount of fine-grained annotations extremely infeasible. This poses a pressing need for developing label-efficient detection models to alleviate radiologists' labeling burden. To tackle this challenge, the literature on object detection has witnessed an increase of weakly-supervised and semi-supervised approaches, yet still lacks a unified framework that leverages various forms of fully-labeled, weakly-labeled, and unlabeled data. In this paper, we present a novel omni-supervised object detection network, ORF-Netv2, to leverage as much available supervision as possible. Specifically, a multi-branch omni-supervised detection head is introduced with each branch trained with a specific type of supervision. A co-training-based dynamic label assignment strategy is then proposed to enable flexible and robust learning from the weakly-labeled and unlabeled data. Extensive evaluation was conducted for the proposed framework with three rib fracture datasets on both chest CT and X-ray. By leveraging all forms of supervision, ORF-Netv2 achieves mAPs of 34.7, 44.7, and 19.4 on the three datasets, respectively, surpassing the baseline detector which uses only box annotations by mAP gains of 3.8, 4.8, and 5.0, respectively. Furthermore, ORF-Netv2 consistently outperforms other competitive label-efficient methods over various scenarios, showing a promising framework for label-efficient fracture detection. The code is available at: https://github.com/zhizhongchai/ORF-Net.

ProRefiner: an entropy-based refining strategy for inverse protein folding with global graph attention.

Inverse Protein Folding (IPF) is an important task of protein design, which aims to design sequences compatible with a given backbone structure. Despite the prosperous development of algorithms for this task, existing methods tend to rely on noisy predicted residues located in the local neighborhood when generating sequences. To address this limitation, we propose an entropy-based residue selection method to remove noise in the input residue context. Additionally, we introduce ProRefiner, a memory-efficient global graph attention model to fully utilize the denoised context. Our proposed method achieves state-of-the-art performance on multiple sequence design benchmarks in different design settings. Furthermore, we demonstrate the applicability of ProRefiner in redesigning Transposon-associated transposase B, where six out of the 20 variants we propose exhibit improved gene editing activity.

Deep Learning-assisted Diagnosis of Breast Lesions on US Images: A Multivendor, Multicenter Study.

Purpose: To evaluate the diagnostic performance of a deep learning (DL) model for breast US across four hospitals and assess its value to readers with different levels of experience. Materials and Methods: In this retrospective study, a dual attention-based convolutional neural network was built and validated to discriminate malignant tumors from benign tumors by using B-mode and color Doppler US images (n = 45 909, March 2011-August 2018), acquired with 42 types of US machines, of 9895 pathologic analysis-confirmed breast lesions in 8797 patients (27 men and 8770 women; mean age, 47 years ± 12 [SD]). With and without assistance from the DL model, three novice readers with less than 5 years of US experience and two experienced readers with 8 and 18 years of US experience, respectively, interpreted 1024 randomly selected lesions. Differences in the areas under the receiver operating characteristic curves (AUCs) were tested using the DeLong test. Results: The DL model using both B-mode and color Doppler US images demonstrated expert-level performance at the lesion level, with an AUC of 0.94 (95% CI: 0.92, 0.95) for the internal set. In external datasets, the AUCs were 0.92 (95% CI: 0.90, 0.94) for hospital 1, 0.91 (95% CI: 0.89, 0.94) for hospital 2, and 0.96 (95% CI: 0.94, 0.98) for hospital 3. DL assistance led to improved AUCs (P < .001) for one experienced and three novice radiologists and improved interobserver agreement. The average false-positive rate was reduced by 7.6% (P = .08). Conclusion: The DL model may help radiologists, especially novice readers, improve accuracy and interobserver agreement of breast tumor diagnosis using US.Keywords: Ultrasound, Breast, Diagnosis, Breast Cancer, Deep Learning, Ultrasonography Supplemental material is available for this article. © RSNA, 2023.

An Artificial Intelligence System for Screening and Recommending the Treatment Modalities for Retinopathy of Prematurity.

PURPOSE: The purpose of this study was to develop an artificial intelligence (AI) system for the identification of disease status and recommending treatment modalities for retinopathy of prematurity (ROP). METHODS: This retrospective cohort study included a total of 24,495 RetCam images from 1075 eyes of 651 preterm infants who received RetCam examination at the Shenzhen Eye Hospital in Shenzhen, China, from January 2003 to August 2021. Three tasks included ROP identification, severe ROP identification, and treatment modalities identification (retinal laser photocoagulation or intravitreal injections). The AI system was developed to identify the 3 tasks, especially the treatment modalities of ROP. The performance between the AI system and ophthalmologists was compared using extra 200 RetCam images. RESULTS: The AI system exhibited favorable performance in the 3 tasks, including ROP identification [area under the receiver operating characteristic curve (AUC), 0.9531], severe ROP identification (AUC, 0.9132), and treatment modalities identification with laser photocoagulation or intravitreal injections (AUC, 0.9360). The AI system achieved an accuracy of 0.8627, a sensitivity of 0.7059, and a specificity of 0.9412 for identifying the treatment modalities of ROP. External validation results confirmed the good performance of the AI system with an accuracy of 92.0% in all 3 tasks, which was better than 4 experienced ophthalmologists who scored 56%, 65%, 71%, and 76%, respectively. CONCLUSIONS: The described AI system achieved promising outcomes in the automated identification of ROP severity and treatment modalities. Using such algorithmic approaches as accessory tools in the clinic may improve ROP screening in the future.

Developing a privacy-preserving deep learning model for glaucoma detection: a multicentre study with federated learning.

BACKGROUND: Deep learning (DL) is promising to detect glaucoma. However, patients' privacy and data security are major concerns when pooling all data for model development. We developed a privacy-preserving DL model using the federated learning (FL) paradigm to detect glaucoma from optical coherence tomography (OCT) images. METHODS: This is a multicentre study. The FL paradigm consisted of a 'central server' and seven eye centres in Hong Kong, the USA and Singapore. Each centre first trained a model locally with its own OCT optic disc volumetric dataset and then uploaded its model parameters to the central server. The central server used FedProx algorithm to aggregate all centres' model parameters. Subsequently, the aggregated parameters are redistributed to each centre for its local model optimisation. We experimented with three three-dimensional (3D) networks to evaluate the stabilities of the FL paradigm. Lastly, we tested the FL model on two prospectively collected unseen datasets. RESULTS: We used 9326 volumetric OCT scans from 2785 subjects. The FL model performed consistently well with different networks in 7 centres (accuracies 78.3%-98.5%, 75.9%-97.0%, and 78.3%-97.5%, respectively) and stably in the 2 unseen datasets (accuracies 84.8%-87.7%, 81.3%-84.8%, and 86.0%-87.8%, respectively). The FL model achieved non-inferior performance in classifying glaucoma compared with the traditional model and significantly outperformed the individual models. CONCLUSION: The 3D FL model could leverage all the datasets and achieve generalisable performance, without data exchange across centres. This study demonstrated an OCT-based FL paradigm for glaucoma identification with ensured patient privacy and data security, charting another course toward the real-world transition of artificial intelligence in ophthalmology.

Cancer immunotherapy response prediction from multi-modal clinical and image data using semi-supervised deep learning.

BACKGROUND AND PURPOSE: Immunotherapy is a standard treatment for many tumor types. However, only a small proportion of patients derive clinical benefit and reliable predictive biomarkers of immunotherapy response are lacking. Although deep learning has made substantial progress in improving cancer detection and diagnosis, there is limited success on the prediction of treatment response. Here, we aim to predict immunotherapy response of gastric cancer patients using routinely available clinical and image data. MATERIALS AND METHODS: We present a multi-modal deep learning radiomics approach to predict immunotherapy response using both clinical data and computed tomography images. The model was trained using 168 advanced gastric cancer patients treated with immunotherapy. To overcome limitations of small training data, we leverage an additional dataset of 2,029 patients who did not receive immunotherapy in a semi-supervised framework to learn intrinsic imaging phenotypes of the disease. We evaluated model performance in two independent cohorts of 81 patients treated with immunotherapy. RESULTS: The deep learning model achieved area under receiver operating characteristics curve (AUC) of 0.791 (95% CI 0.633-0.950) and 0.812 (95% CI 0.669-0.956) for predicting immunotherapy response in the internal and external validation cohorts. When combined with PD-L1 expression, the integrative model further improved the AUC by 4-7% in absolute terms. CONCLUSION: The deep learning model achieved promising performance for predicting immunotherapy response from routine clinical and image data. The proposed multi-modal approach is general and can incorporate other relevant information to further improve prediction of immunotherapy response.

Hepatic vessel segmentation based on 3D swin-transformer with inductive biased multi-head self-attention.

PURPOSE: Segmentation of liver vessels from CT images is indispensable prior to surgical planning and aroused a broad range of interest in the medical image analysis community. Due to the complex structure and low-contrast background, automatic liver vessel segmentation remains particularly challenging. Most of the related researches adopt FCN, U-net, and V-net variants as a backbone. However, these methods mainly focus on capturing multi-scale local features which may produce misclassified voxels due to the convolutional operator's limited locality reception field. METHODS: We propose a robust end-to-end vessel segmentation network called Inductive BIased Multi-Head Attention Vessel Net(IBIMHAV-Net) by expanding swin transformer to 3D and employing an effective combination of convolution and self-attention. In practice, we introduce voxel-wise embedding rather than patch-wise embedding to locate precise liver vessel voxels and adopt multi-scale convolutional operators to gain local spatial information. On the other hand, we propose the inductive biased multi-head self-attention which learns inductively biased relative positional embedding from initialized absolute position embedding. Based on this, we can gain more reliable queries and key matrices. RESULTS: We conducted experiments on the 3DIRCADb dataset. The average dice and sensitivity of the four tested cases were 74.8[Formula: see text] and 77.5[Formula: see text], which exceed the results of existing deep learning methods and improved graph cuts method. The Branches Detected(BD)/Tree-length Detected(TD) indexes also proved the global/local feature capture ability better than other methods. CONCLUSION: The proposed model IBIMHAV-Net provides an automatic, accurate 3D liver vessel segmentation with an interleaved architecture that better utilizes both global and local spatial features in CT volumes. It can be further extended for other clinical data.

Global Adaptive Transformer for Cross-Subject Enhanced EEG Classification.

Due to the individual difference, EEG signals from other subjects (source) can hardly be used to decode the mental intentions of the target subject. Although transfer learning methods have shown promising results, they still suffer from poor feature representation or neglect long-range dependencies. In light of these limitations, we propose Global Adaptive Transformer (GAT), an domain adaptation method to utilize source data for cross-subject enhancement. Our method uses parallel convolution to capture temporal and spatial features first. Then, we employ a novel attention-based adaptor that implicitly transfers source features to the target domain, emphasizing the global correlation of EEG features. We also use a discriminator to explicitly drive the reduction of marginal distribution discrepancy by learning against the feature extractor and the adaptor. Besides, an adaptive center loss is designed to align the conditional distribution. With the aligned source and target features, a classifier can be optimized to decode EEG signals. Experiments on two widely used EEG datasets demonstrate that our method outperforms state-of-the-art methods, primarily due to the effectiveness of the adaptor. These results indicate that GAT has good potential to enhance the practicality of BCI.

Dual Multiscale Mean Teacher Network for Semi-Supervised Infection Segmentation in Chest CT Volume for COVID-19.

Automated detecting lung infections from computed tomography (CT) data plays an important role for combating coronavirus 2019 (COVID-19). However, there are still some challenges for developing AI system: 1) most current COVID-19 infection segmentation methods mainly relied on 2-D CT images, which lack 3-D sequential constraint; 2) existing 3-D CT segmentation methods focus on single-scale representations, which do not achieve the multiple level receptive field sizes on 3-D volume; and 3) the emergent breaking out of COVID-19 makes it hard to annotate sufficient CT volumes for training deep model. To address these issues, we first build a multiple dimensional-attention convolutional neural network (MDA-CNN) to aggregate multiscale information along different dimension of input feature maps and impose supervision on multiple predictions from different convolutional neural networks (CNNs) layers. Second, we assign this MDA-CNN as a basic network into a novel dual multiscale mean teacher network (DM [Formula: see text]-Net) for semi-supervised COVID-19 lung infection segmentation on CT volumes by leveraging unlabeled data and exploring the multiscale information. Our DM [Formula: see text]-Net encourages multiple predictions at different CNN layers from the student and teacher networks to be consistent for computing a multiscale consistency loss on unlabeled data, which is then added to the supervised loss on the labeled data from multiple predictions of MDA-CNN. Third, we collect two COVID-19 segmentation datasets to evaluate our method. The experimental results show that our network consistently outperforms the compared state-of-the-art methods.

MetaRF: attention-based random forest for reaction yield prediction with a few trails.

Artificial intelligence has deeply revolutionized the field of medicinal chemistry with many impressive applications, but the success of these applications requires a massive amount of training samples with high-quality annotations, which seriously limits the wide usage of data-driven methods. In this paper, we focus on the reaction yield prediction problem, which assists chemists in selecting high-yield reactions in a new chemical space only with a few experimental trials. To attack this challenge, we first put forth MetaRF, an attention-based random forest model specially designed for the few-shot yield prediction, where the attention weight of a random forest is automatically optimized by the meta-learning framework and can be quickly adapted to predict the performance of new reagents while given a few additional samples. To improve the few-shot learning performance, we further introduce a dimension-reduction based sampling method to determine valuable samples to be experimentally tested and then learned. Our methodology is evaluated on three different datasets and acquires satisfactory performance on few-shot prediction. In high-throughput experimentation (HTE) datasets, the average yield of our methodology's top 10 high-yield reactions is relatively close to the results of ideal yield selection.