Unsupervised representation learning (URL) that learns compact embeddings of high-dimensional data without supervision has achieved remarkable progress recently. However, the development of URLs for different requirements is independent, which limits the generalization of the algorithms, especially prohibitive as the number of tasks grows. For example, dimension reduction (DR) methods, t-SNE and UMAP, optimize pairwise data relationships by preserving the global geometric structure, while self-supervised learning, SimCLR and BYOL, focuses on mining the local statistics of instances under specific augmentations. To address this dilemma, we summarize and propose a unified similarity-based URL framework, GenURL, which can adapt to various URL tasks smoothly. In this article, we regard URL tasks as different implicit constraints on the data geometric structure that help to seek optimal low-dimensional representations that boil down to data structural modeling (DSM) and low-dimensional transformation (LDT). Specifically, DSM provides a structure-based submodule to describe the global structures, and LDT learns compact low-dimensional embeddings with given pretext tasks. Moreover, an objective function, general Kullback-Leibler (GKL) divergence, is proposed to connect DSM and LDT naturally. Comprehensive experiments demonstrate that GenURL achieves consistent state-of-the-art performance in self-supervised visual learning, unsupervised knowledge distillation (KD), graph embeddings (GEs), and DR.

By contextualizing the kernel as global as possible, Modern ConvNets have shown great potential in computer vision tasks. However, recent progress on \textit{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.

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 {\em 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 \textsc{D3FG}, a {\em functional-group-based} diffusion model for pocket-specific molecule generation and elaboration. \textsc{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, \textsc{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, \textsc{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.

Visual grounding is a task to localize an object described by a sentence in an image. Conventional visual grounding methods extract visual and linguistic features isolatedly and then perform cross-modal interaction in a post-fusion manner. We argue that this post-fusion mechanism does not fully utilize the information in two modalities. Instead, it is more desired to perform cross-modal interaction during the extraction process of the visual and linguistic feature. In this paper, we propose a language-customized visual feature learning mechanism where linguistic information guides the extraction of visual feature from the very beginning. We instantiate the mechanism as a one-stage framework named Progressive Language-customized Visual feature learning (PLV). Our proposed PLV consists of a Progressive Language-customized Visual Encoder (PLVE) and a grounding module. We customize the visual feature with linguistic guidance at each stage of the PLVE by Channel-wise Language-guided Interaction Modules (CLIM). Our proposed PLV outperforms conventional state-of-the-art methods with large margins across five visual grounding datasets without pre-training on object detection datasets, while achieving real-time speed. The source code is available in the supplementary material.

Determining which image regions to concentrate 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 instance and interaction branches. To attain this, we map a trainable interaction query set to an interaction prediction set with 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.