Bin Feng

Yuxin Fang, Shusheng Yang, Xinggang Wang et al.

Recently, query based object detection frameworks achieve comparable performance with previous state-of-the-art object detectors. However, how to fully leverage such frameworks to perform instance segmentation remains an open problem. In this paper, we present QueryInst (Instances as Queries), a query based instance segmentation method driven by parallel supervision on dynamic mask heads. The key insight of QueryInst is to leverage the intrinsic one-to-one correspondence in object queries across different stages, as well as one-to-one correspondence between mask RoI features and object queries in the same stage. This approach eliminates the explicit multi-stage mask head connection and the proposal distribution inconsistency issues inherent in non-query based multi-stage instance segmentation methods. We conduct extensive experiments on three challenging benchmarks, i.e., COCO, CityScapes, and YouTube-VIS to evaluate the effectiveness of QueryInst in instance segmentation and video instance segmentation (VIS) task. Specifically, using ResNet-101-FPN backbone, QueryInst obtains 48.1 box AP and 42.8 mask AP on COCO test-dev, which is 2 points higher than HTC in terms of both box AP and mask AP, while runs 2.4 times faster. For video instance segmentation, QueryInst achieves the best performance among all online VIS approaches and strikes a decent speed-accuracy trade-off. Code is available at \url{https://github.com/hustvl/QueryInst}.

Jiwei Xu, Xinggang Wang, Bin Feng et al.

Text-independent speaker verification is an important artificial intelligence problem that has a wide spectrum of applications, such as criminal investigation, payment certification, and interest-based customer services. The purpose of text-independent speaker verification is to determine whether two given uncontrolled utterances originate from the same speaker or not. Extracting speech features for each speaker using deep neural networks is a promising direction to explore and a straightforward solution is to train the discriminative feature extraction network by using a metric learning loss function. However, a single loss function often has certain limitations. Thus, we use deep multi-metric learning to address the problem and introduce three different losses for this problem, i.e., triplet loss, n-pair loss and angular loss. The three loss functions work in a cooperative way to train a feature extraction network equipped with Residual connections and squeeze-and-excitation attention. We conduct experiments on the large-scale \texttt{VoxCeleb2} dataset, which contains over a million utterances from over $6,000$ speakers, and the proposed deep neural network obtains an equal error rate of $3.48\%$, which is a very competitive result. Codes for both training and testing and pretrained models are available at \url{https://github.com/GreatJiweix/DmmlTiSV}, which is the first publicly available code repository for large-scale text-independent speaker verification with performance on par with the state-of-the-art systems.

Maodong Li, Jiying Zhang, Bin Feng et al.

Drug-protein binding and dissociation dynamics are fundamental to understanding molecular interactions in biological systems. While many tools for drug-protein interaction studies have emerged, especially artificial intelligence (AI)-based generative models, predictive tools on binding/dissociation kinetics and dynamics are still limited. We propose a novel research paradigm that combines molecular dynamics (MD) simulations, enhanced sampling, and AI generative models to address this issue. We propose an enhanced sampling strategy to efficiently implement the drug-protein dissociation process in MD simulations and estimate the free energy surface (FES). We constructed a program pipeline of MD simulations based on this sampling strategy, thus generating a dataset including 26,612 drug-protein dissociation trajectories containing about 13 million frames. We named this dissociation dynamics dataset DD-13M and used it to train a deep equivariant generative model UnbindingFlow, which can generate collision-free dissociation trajectories. The DD-13M database and UnbindingFlow model represent a significant advancement in computational structural biology, and we anticipate its broad applicability in machine learning studies of drug-protein interactions. Our ongoing efforts focus on expanding this methodology to encompass a broader spectrum of drug-protein complexes and exploring novel applications in pathway prediction.

Bin Feng, Jiying Zhang, Xinni Zhang et al.

Molecular dynamics (MD) simulations are essential tools in computational chemistry and drug discovery, offering crucial insights into dynamic molecular behavior. However, their utility is significantly limited by substantial computational costs, which severely restrict accessible timescales for many biologically relevant processes. Despite the encouraging performance of existing machine learning (ML) methods, they struggle to generate extended biomolecular system trajectories, primarily due to the lack of MD datasets and the large computational demands of modeling long historical trajectories. Here, we introduce BioMD, the first all-atom generative model to simulate long-timescale protein-ligand dynamics using a hierarchical framework of forecasting and interpolation. We demonstrate the effectiveness and versatility of BioMD on the DD-13M (ligand unbinding) and MISATO datasets. For both datasets, BioMD generates highly realistic conformations, showing high physical plausibility and low reconstruction errors. Besides, BioMD successfully generates ligand unbinding paths for 97.1% of the protein-ligand systems within ten attempts, demonstrating its ability to explore critical unbinding pathways. Collectively, these results establish BioMD as a tool for simulating complex biomolecular processes, offering broad applicability for computational chemistry and drug discovery.

Shusheng Yang, Yuxin Fang, Xinggang Wang et al.

Recently, query based deep networks catch lots of attention owing to their end-to-end pipeline and competitive results on several fundamental computer vision tasks, such as object detection, semantic segmentation, and instance segmentation. However, how to establish a query based video instance segmentation (VIS) framework with elegant architecture and strong performance remains to be settled. In this paper, we present \textbf{QueryTrack} (i.e., tracking instances as queries), a unified query based VIS framework fully leveraging the intrinsic one-to-one correspondence between instances and queries in QueryInst. The proposed method obtains 52.7 / 52.3 AP on YouTube-VIS-2019 / 2021 datasets, which wins the 2-nd place in the YouTube-VIS Challenge at CVPR 2021 \textbf{with a single online end-to-end model, single scale testing \& modest amount of training data}. We also provide QueryTrack-ResNet-50 baseline results on YouTube-VIS-2021 val set as references for the VIS community.

Shusheng Yang, Yuxin Fang, Xinggang Wang et al.

Modeling temporal visual context across frames is critical for video instance segmentation (VIS) and other video understanding tasks. In this paper, we propose a fast online VIS model named CrossVIS. For temporal information modeling in VIS, we present a novel crossover learning scheme that uses the instance feature in the current frame to pixel-wisely localize the same instance in other frames. Different from previous schemes, crossover learning does not require any additional network parameters for feature enhancement. By integrating with the instance segmentation loss, crossover learning enables efficient cross-frame instance-to-pixel relation learning and brings cost-free improvement during inference. Besides, a global balanced instance embedding branch is proposed for more accurate and more stable online instance association. We conduct extensive experiments on three challenging VIS benchmarks, \ie, YouTube-VIS-2019, OVIS, and YouTube-VIS-2021 to evaluate our methods. To our knowledge, CrossVIS achieves state-of-the-art performance among all online VIS methods and shows a decent trade-off between latency and accuracy. Code will be available to facilitate future research.

Changxu Cheng, Wuheng Xu, Xiang Bai et al.

Chinese text recognition is more challenging than Latin text due to the large amount of fine-grained Chinese characters and the great imbalance over classes, which causes a serious overfitting problem. We propose to apply Maximum Entropy Regularization to regularize the training process, which is to simply add a negative entropy term to the canonical cross-entropy loss without any additional parameters and modification of a model. We theoretically give the convergence probability distribution and analyze how the regularization influence the learning process. Experiments on Chinese character recognition, Chinese text line recognition and fine-grained image classification achieve consistent improvement, proving that the regularization is beneficial to generalization and robustness of a recognition model.

Changxu Cheng, Qiuhui Huang, Xiang Bai et al.

Script identification in the wild is of great importance in a multi-lingual robust-reading system. The scripts deriving from the same language family share a large set of characters, which makes script identification a fine-grained classification problem. Most existing methods make efforts to learn a single representation that combines the local features by making a weighted average or other clustering methods, which may reduce the discriminatory power of some important parts in each script for the interference of redundant features. In this paper, we present a novel module named Patch Aggregator (PA), which learns a more discriminative representation for script identification by taking into account the prediction scores of local patches. Specifically, we design a CNN-based method consisting of a standard CNN classifier and a PA module. Experiments demonstrate that the proposed PA module brings significant performance improvements over the baseline CNN model, achieving the state-of-the-art results on three benchmark datasets for script identification: SIW-13, CVSI 2015 and RRC-MLT 2017.