Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet, a supervised deep-learning model to predict the fitness for protein mutants by leveraging both sequence and structure information, and exploiting attention mechanism. Our model integrates local evolutionary context from homologous sequences, the global evolutionary context encoding rich semantic from the universal protein sequence space and the structure information accounting for the microenvironment around each residue in a protein. We show that SESNet outperforms state-of-the-art models for predicting the sequence-function relationship on 26 deep mutational scanning datasets. More importantly, we propose a data augmentation strategy by leveraging the data from unsupervised models to pre-train our model. After that, our model can achieve strikingly high accuracy in prediction of the fitness of protein mutants, especially for the higher order variants (> 4 mutation sites), when finetuned by using only a small number of experimental mutation data (<50). The strategy proposed is of great practical value as the required experimental effort, i.e., producing a few tens of experimental mutation data on a given protein, is generally affordable by an ordinary biochemical group and can be applied on almost any protein.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

The security of artificial intelligence (AI) is an important research area towards safe, reliable, and trustworthy AI systems. To accelerate the research on AI security, the Artificial Intelligence Security Competition (AISC) was organized by the Zhongguancun Laboratory, China Industrial Control Systems Cyber Emergency Response Team, Institute for Artificial Intelligence, Tsinghua University, and RealAI as part of the Zhongguancun International Frontier Technology Innovation Competition (https://www.zgc-aisc.com/en). The competition consists of three tracks, including Deepfake Security Competition, Autonomous Driving Security Competition, and Face Recognition Security Competition. This report will introduce the competition rules of these three tracks and the solutions of top-ranking teams in each track.

The foundation models have recently shown excellent performance on a variety of downstream tasks in computer vision. However, most existing vision foundation models simply focus on image-level pretraining and adpation, which are limited for dynamic and complex video-level understanding tasks. To fill the gap, we present general video foundation models, InternVideo, by taking advantage of both generative and discriminative self-supervised video learning. Specifically, InternVideo efficiently explores masked video modeling and video-language contrastive learning as the pretraining objectives, and selectively coordinates video representations of these two complementary frameworks in a learnable manner to boost various video applications. Without bells and whistles, InternVideo achieves state-of-the-art performance on 39 video datasets from extensive tasks including video action recognition/detection, video-language alignment, and open-world video applications. Especially, our methods can obtain 91.1% and 77.2% top-1 accuracy on the challenging Kinetics-400 and Something-Something V2 benchmarks, respectively. All of these results effectively show the generality of our InternVideo for video understanding. The code will be released at https://github.com/OpenGVLab/InternVideo .

Objective: We aim to develop an open-source natural language processing (NLP) package, SODA (i.e., SOcial DeterminAnts), with pre-trained transformer models to extract social determinants of health (SDoH) for cancer patients, examine the generalizability of SODA to a new disease domain (i.e., opioid use), and evaluate the extraction rate of SDoH using cancer populations. Methods: We identified SDoH categories and attributes and developed an SDoH corpus using clinical notes from a general cancer cohort. We compared four transformer-based NLP models to extract SDoH, examined the generalizability of NLP models to a cohort of patients prescribed with opioids, and explored customization strategies to improve performance. We applied the best NLP model to extract 19 categories of SDoH from the breast (n=7,971), lung (n=11,804), and colorectal cancer (n=6,240) cohorts. Results and Conclusion: We developed a corpus of 629 cancer patients notes with annotations of 13,193 SDoH concepts/attributes from 19 categories of SDoH. The Bidirectional Encoder Representations from Transformers (BERT) model achieved the best strict/lenient F1 scores of 0.9216 and 0.9441 for SDoH concept extraction, 0.9617 and 0.9626 for linking attributes to SDoH concepts. Fine-tuning the NLP models using new annotations from opioid use patients improved the strict/lenient F1 scores from 0.8172/0.8502 to 0.8312/0.8679. The extraction rates among 19 categories of SDoH varied greatly, where 10 SDoH could be extracted from >70% of cancer patients, but 9 SDoH had a low extraction rate (<70% of cancer patients). The SODA package with pre-trained transformer models is publicly available at https://github.com/uf-hobiinformatics-lab/SDoH_SODA.

In this work, we propose MEDICO, a Multi-viEw Deep generative model for molecule generation, structural optimization, and the SARS-CoV-2 Inhibitor disCOvery. To the best of our knowledge, MEDICO is the first-of-this-kind graph generative model that can generate molecular graphs similar to the structure of targeted molecules, with a multi-view representation learning framework to sufficiently and adaptively learn comprehensive structural semantics from targeted molecular topology and geometry. We show that our MEDICO significantly outperforms the state-of-the-art methods in generating valid, unique, and novel molecules under benchmarking comparisons. In particular, we showcase the multi-view deep learning model enables us to generate not only the molecules structurally similar to the targeted molecules but also the molecules with desired chemical properties, demonstrating the strong capability of our model in exploring the chemical space deeply. Moreover, case study results on targeted molecule generation for the SARS-CoV-2 main protease (Mpro) show that by integrating molecule docking into our model as chemical priori, we successfully generate new small molecules with desired drug-like properties for the Mpro, potentially accelerating the de novo design of Covid-19 drugs. Further, we apply MEDICO to the structural optimization of three well-known Mpro inhibitors (N3, 11a, and GC376) and achieve ~88% improvement in their binding affinity to Mpro, demonstrating the application value of our model for the development of therapeutics for SARS-CoV-2 infection.

Camouflaged object detection (COD) aims to detect/segment camouflaged objects embedded in the environment, which has attracted increasing attention over the past decades. Although several COD methods have been developed, they still suffer from unsatisfactory performance due to the intrinsic similarities between the foreground objects and background surroundings. In this paper, we propose a novel Feature Aggregation and Propagation Network (FAP-Net) for camouflaged object detection. Specifically, we propose a Boundary Guidance Module (BGM) to explicitly model the boundary characteristic, which can provide boundary-enhanced features to boost the COD performance. To capture the scale variations of the camouflaged objects, we propose a Multi-scale Feature Aggregation Module (MFAM) to characterize the multi-scale information from each layer and obtain the aggregated feature representations. Furthermore, we propose a Cross-level Fusion and Propagation Module (CFPM). In the CFPM, the feature fusion part can effectively integrate the features from adjacent layers to exploit the cross-level correlations, and the feature propagation part can transmit valuable context information from the encoder to the decoder network via a gate unit. Finally, we formulate a unified and end-to-end trainable framework where cross-level features can be effectively fused and propagated for capturing rich context information. Extensive experiments on three benchmark camouflaged datasets demonstrate that our FAP-Net outperforms other state-of-the-art COD models. Moreover, our model can be extended to the polyp segmentation task, and the comparison results further validate the effectiveness of the proposed model in segmenting polyps. The source code and results will be released at https://github.com/taozh2017/FAPNet.

The performance of a camera network monitoring a set of targets depends crucially on the configuration of the cameras. In this paper, we investigate the reconfiguration strategy for the parameterized camera network model, with which the sensing qualities of the multiple targets can be optimized globally and simultaneously. We first propose to use the number of pixels occupied by a unit-length object in image as a metric of the sensing quality of the object, which is determined by the parameters of the camera, such as intrinsic, extrinsic, and distortional coefficients. Then, we form a single quantity that measures the sensing quality of the targets by the camera network. This quantity further serves as the objective function of our optimization problem to obtain the optimal camera configuration. We verify the effectiveness of our approach through extensive simulations and experiments, and the results reveal its improved performance on the AprilTag detection tasks. Codes and related utilities for this work are open-sourced and available at https://github.com/sszxc/MultiCam-Simulation.

Pretrained language models (PLMs) have motivated research on what kinds of knowledge these models learn. Fill-in-the-blanks problem (e.g., cloze tests) is a natural approach for gauging such knowledge. BioLAMA generates prompts for biomedical factual knowledge triples and uses the Top-k accuracy metric to evaluate different PLMs' knowledge. However, existing research has shown that such prompt-based knowledge probing methods can only probe a lower bound of knowledge. Many factors like prompt-based probing biases make the LAMA benchmark unreliable and unstable. This problem is more prominent in BioLAMA. The severe long-tailed distribution in vocabulary and large-N-M relation make the performance gap between LAMA and BioLAMA remain notable. To address these, we introduce context variance into the prompt generation and propose a new rank-change-based evaluation metric. Different from the previous known-unknown evaluation criteria, we propose the concept of "Misunderstand" in LAMA for the first time. Through experiments on 12 PLMs, our context variance prompts and Understand-Confuse-Misunderstand (UCM) metric makes BioLAMA more friendly to large-N-M relations and rare relations. We also conducted a set of control experiments to disentangle "understand" from just "read and copy".

With the vigorous development of computer vision, oriented object detection has gradually been featured. In this paper, a novel differentiable angle coder named phase-shifting coder (PSC) is proposed to accurately predict the orientation of objects, along with a dual-frequency version PSCD. By mapping rotational periodicity of different cycles into phase of different frequencies, we provide a unified framework for various periodic fuzzy problems in oriented object detection. Upon such framework, common problems in oriented object detection such as boundary discontinuity and square-like problems are elegantly solved in a unified form. Visual analysis and experiments on three datasets prove the effectiveness and the potentiality of our approach. When facing scenarios requiring high-quality bounding boxes, the proposed methods are expected to give a competitive performance. The codes are publicly available at https://github.com/open-mmlab/mmrotate.