Yufan Deng

Xianwei Zhuang, Yuxin Xie, Yufan Deng et al.

In this work, we present VARGPT-v1.1, an advanced unified visual autoregressive model that builds upon our previous framework VARGPT. The model preserves the dual paradigm of next-token prediction for visual understanding and next-scale generation for image synthesis. Specifically, VARGPT-v1.1 integrates: (1) a novel training strategy combining iterative visual instruction tuning with reinforcement learning through Direct Preference Optimization (DPO), (2) an expanded training corpus containing 8.3M visual-generative instruction pairs, (3) an upgraded language model backbone using Qwen2, (4) enhanced image generation resolution, and (5) emergent image editing capabilities without architectural modifications. These advancements enable VARGPT-v1.1 to achieve state-of-the-art performance in multimodal understanding and text-to-image instruction-following tasks, demonstrating significant improvements in both comprehension and generation metrics. Notably, through visual instruction tuning, the model acquires image editing functionality while maintaining architectural consistency with its predecessor, revealing the potential for unified visual understanding, generation, and editing. Our findings suggest that well-designed unified visual autoregressive models can effectively adopt flexible training strategies from large language models (LLMs), exhibiting promising scalability. The codebase and model weights are publicly available at https://github.com/VARGPT-family/VARGPT-v1.1.

Zishan Shu, Yufan Deng, Hongyu Zhang et al.

Activity cliff prediction is a critical task in drug discovery and material design. Existing computational methods are limited to handling single binding targets, which restricts the applicability of these prediction models. In this paper, we present the Multi-Grained Target Perception network (MTPNet) to incorporate the prior knowledge of interactions between the molecules and their target proteins. Specifically, MTPNet is a unified framework for activity cliff prediction, which consists of two components: Macro-level Target Semantic (MTS) guidance and Micro-level Pocket Semantic (MPS) guidance. By this way, MTPNet dynamically optimizes molecular representations through multi-grained protein semantic conditions. To our knowledge, it is the first time to employ the receptor proteins as guiding information to effectively capture critical interaction details. Extensive experiments on 30 representative activity cliff datasets demonstrate that MTPNet significantly outperforms previous approaches, achieving an average RMSE improvement of 18.95% on top of several mainstream GNN architectures. Overall, MTPNet internalizes interaction patterns through conditional deep learning to achieve unified predictions of activity cliffs, helping to accelerate compound optimization and design. Codes are available at: https://github.com/ZishanShu/MTPNet.

Xianwei Zhuang, Yuxin Xie, Yufan Deng et al.

We present VARGPT, a novel multimodal large language model (MLLM) that unifies visual understanding and generation within a single autoregressive framework. VARGPT employs a next-token prediction paradigm for visual understanding and a next-scale prediction paradigm for visual autoregressive generation. VARGPT innovatively extends the LLaVA architecture, achieving efficient scale-wise autoregressive visual generation within MLLMs while seamlessly accommodating mixed-modal input and output within a single model framework. Our VARGPT undergoes a three-stage unified training process on specially curated datasets, comprising a pre-training phase and two mixed visual instruction-tuning phases. The unified training strategy are designed to achieve alignment between visual and textual features, enhance instruction following for both understanding and generation, and improve visual generation quality, respectively. Despite its LLAVA-based architecture for multimodel understanding, VARGPT significantly outperforms LLaVA-1.5 across various vision-centric benchmarks, such as visual question-answering and reasoning tasks. Notably, VARGPT naturally supports capabilities in autoregressive visual generation and instruction-to-image synthesis, showcasing its versatility in both visual understanding and generation tasks. Project page is at: \url{https://vargpt-1.github.io/}