Zhiyuan Chen

Siyuan Li, Zedong Wang, Zicheng Liu et al.

By contextualizing the kernel as global as possible, Modern ConvNets have shown great potential in computer vision tasks. However, recent progress on multi-order game-theoretic interaction within deep neural networks (DNNs) reveals the representation bottleneck of modern ConvNets, where the expressive interactions have not been effectively encoded with the increased kernel size. To tackle this challenge, we propose a new family of modern ConvNets, dubbed MogaNet, for discriminative visual representation learning in pure ConvNet-based models with favorable complexity-performance trade-offs. MogaNet encapsulates conceptually simple yet effective convolutions and gated aggregation into a compact module, where discriminative features are efficiently gathered and contextualized adaptively. MogaNet exhibits great scalability, impressive efficiency of parameters, and competitive performance compared to state-of-the-art ViTs and ConvNets on ImageNet and various downstream vision benchmarks, including COCO object detection, ADE20K semantic segmentation, 2D&3D human pose estimation, and video prediction. Notably, MogaNet hits 80.0% and 87.8% accuracy with 5.2M and 181M parameters on ImageNet-1K, outperforming ParC-Net and ConvNeXt-L, while saving 59% FLOPs and 17M parameters, respectively. The source code is available at https://github.com/Westlake-AI/MogaNet.

Varun Mandalapu, Lujie Karen Chen, Sushruta Shetty et al.

In recent years, there is a lot of interest in modeling students' digital traces in Learning Management System (LMS) to understand students' learning behavior patterns including aspects of meta-cognition and self-regulation, with the ultimate goal to turn those insights into actionable information to support students to improve their learning outcomes. In achieving this goal, however, there are two main issues that need to be addressed given the existing literature. Firstly, most of the current work is course-centered (i.e. models are built from data for a specific course) rather than student-centered; secondly, a vast majority of the models are correlational rather than causal. Those issues make it challenging to identify the most promising actionable factors for intervention at the student level where most of the campus-wide academic support is designed for. In this paper, we explored a student-centric analytical framework for LMS activity data that can provide not only correlational but causal insights mined from observational data. We demonstrated this approach using a dataset of 1651 computing major students at a public university in the US during one semester in the Fall of 2019. This dataset includes students' fine-grained LMS interaction logs and administrative data, e.g. demographics and academic performance. In addition, we expand the repository of LMS behavior indicators to include those that can characterize the time-of-the-day of login (e.g. chronotype). Our analysis showed that student login volume, compared with other login behavior indicators, is both strongly correlated and causally linked to student academic performance, especially among students with low academic performance. We envision that those insights will provide convincing evidence for college student support groups to launch student-centered and targeted interventions that are effective and scalable.

Yuchen Ren, Zhiyuan Chen, Lifeng Qiao et al.

RNA plays a pivotal role in translating genetic instructions into functional outcomes, underscoring its importance in biological processes and disease mechanisms. Despite the emergence of numerous deep learning approaches for RNA, particularly universal RNA language models, there remains a significant lack of standardized benchmarks to assess the effectiveness of these methods. In this study, we introduce the first comprehensive RNA benchmark BEACON (\textbf{BE}nchm\textbf{A}rk for \textbf{CO}mprehensive R\textbf{N}A Task and Language Models). First, BEACON comprises 13 distinct tasks derived from extensive previous work covering structural analysis, functional studies, and engineering applications, enabling a comprehensive assessment of the performance of methods on various RNA understanding tasks. Second, we examine a range of models, including traditional approaches like CNNs, as well as advanced RNA foundation models based on language models, offering valuable insights into the task-specific performances of these models. Third, we investigate the vital RNA language model components from the tokenizer and positional encoding aspects. Notably, our findings emphasize the superiority of single nucleotide tokenization and the effectiveness of Attention with Linear Biases (ALiBi) over traditional positional encoding methods. Based on these insights, a simple yet strong baseline called BEACON-B is proposed, which can achieve outstanding performance with limited data and computational resources. The datasets and source code of our benchmark are available at https://github.com/terry-r123/RNABenchmark.

Mingfei Chen, Yue Liao, Si Liu et al.

Determining which image regions to concentrate on is critical for Human-Object Interaction (HOI) detection. Conventional HOI detectors focus on either detected human and object pairs or pre-defined interaction locations, which limits learning of the effective features. In this paper, we reformulate HOI detection as an adaptive set prediction problem, with this novel formulation, we propose an Adaptive Set-based one-stage framework (AS-Net) with parallel instances and interaction branches. To attain this, we map a trainable interaction query set to an interaction prediction set with a transformer. Each query adaptively aggregates the interaction-relevant features from global contexts through multi-head co-attention. Besides, the training process is supervised adaptively by matching each ground truth with the interaction prediction. Furthermore, we design an effective instance-aware attention module to introduce instructive features from the instance branch into the interaction branch. Our method outperforms previous state-of-the-art methods without any extra human pose and language features on three challenging HOI detection datasets. Especially, we achieve over $31\%$ relative improvement on a large-scale HICO-DET dataset. Code is available at https://github.com/yoyomimi/AS-Net.

Zhiyuan Chen, Fan Lu, Guo Yu et al.

Tracking the 6DoF pose of unknown objects in monocular RGB video sequences is crucial for robotic manipulation. However, existing approaches typically rely on accurate depth information, which is non-trivial to obtain in real-world scenarios. Although depth estimation algorithms can be employed, geometric inaccuracy can lead to failures in RGBD-based pose tracking methods. To address this challenge, we introduce GSGTrack, a novel RGB-based pose tracking framework that jointly optimizes geometry and pose. Specifically, we adopt 3D Gaussian Splatting to create an optimizable 3D representation, which is learned simultaneously with a graph-based geometry optimization to capture the object's appearance features and refine its geometry. However, the joint optimization process is susceptible to perturbations from noisy pose and geometry data. Thus, we propose an object silhouette loss to address the issue of pixel-wise loss being overly sensitive to pose noise during tracking. To mitigate the geometric ambiguities caused by inaccurate depth information, we propose a geometry-consistent image pair selection strategy, which filters out low-confidence pairs and ensures robust geometric optimization. Extensive experiments on the OnePose and HO3D datasets demonstrate the effectiveness of GSGTrack in both 6DoF pose tracking and object reconstruction.

Haitao Lin, Yufei Huang, Odin Zhang et al.

In recent years, AI-assisted drug design methods have been proposed to generate molecules given the pockets' structures of target proteins. Most of them are atom-level-based methods, which consider atoms as basic components and generate atom positions and types. In this way, however, it is hard to generate realistic fragments with complicated structures. To solve this, we propose D3FG, a functional-group-based diffusion model for pocket-specific molecule generation and elaboration. D3FG decomposes molecules into two categories of components: functional groups defined as rigid bodies and linkers as mass points. And the two kinds of components can together form complicated fragments that enhance ligand-protein interactions. To be specific, in the diffusion process, D3FG diffuses the data distribution of the positions, orientations, and types of the components into a prior distribution; In the generative process, the noise is gradually removed from the three variables by denoisers parameterized with designed equivariant graph neural networks. In the experiments, our method can generate molecules with more realistic 3D structures, competitive affinities toward the protein targets, and better drug properties. Besides, D3FG as a solution to a new task of molecule elaboration, could generate molecules with high affinities based on existing ligands and the hotspots of target proteins.

Zhiyuan Chen, Xiaomin Fang, Zixu Hua et al.

Efficient exploration of the chemical space to search the candidate drugs that satisfy various constraints is a fundamental task of drug discovery. Advanced deep generative methods attempt to optimize the molecules in the compact latent space instead of the discrete original space, but the mapping between the original and latent spaces is always kept unchanged during the entire optimization process. The unchanged mapping makes those methods challenging to fast adapt to various optimization scenes and leads to the great demand for assessed molecules (samples) to provide optimization direction, which is a considerable expense for drug discovery. To this end, we design a sample-efficient molecular generative method, HelixMO, which explores the scene-sensitive latent space to promote sample efficiency. The scene-sensitive latent space focuses more on modeling the promising molecules by dynamically adjusting the space mapping by leveraging the correlations between the general and scene-specific characteristics during the optimization process. Extensive experiments demonstrate that HelixMO can achieve competitive performance with only a few assessed samples on four molecular optimization scenes. Ablation studies verify the positive impact of the scene-specific latent space, which is capable of identifying the critical characteristics of the promising molecules. We also deployed HelixMO on the website PaddleHelix (https://paddlehelix.baidu.com/app/drug/drugdesign/forecast) to provide drug design service.

Zicheng Liu, Siyuan Li, Di Wu et al.

Data mixing augmentation have proved to be effective in improving the generalization ability of deep neural networks. While early methods mix samples by hand-crafted policies (e.g., linear interpolation), recent methods utilize saliency information to match the mixed samples and labels via complex offline optimization. However, there arises a trade-off between precise mixing policies and optimization complexity. To address this challenge, we propose a novel automatic mixup (AutoMix) framework, where the mixup policy is parameterized and serves the ultimate classification goal directly. Specifically, AutoMix reformulates the mixup classification into two sub-tasks (i.e., mixed sample generation and mixup classification) with corresponding sub-networks and solves them in a bi-level optimization framework. For the generation, a learnable lightweight mixup generator, Mix Block, is designed to generate mixed samples by modeling patch-wise relationships under the direct supervision of the corresponding mixed labels. To prevent the degradation and instability of bi-level optimization, we further introduce a momentum pipeline to train AutoMix in an end-to-end manner. Extensive experiments on nine image benchmarks prove the superiority of AutoMix compared with state-of-the-art in various classification scenarios and downstream tasks.