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Jul 21

Open-vocabulary Semantic Segmentation with Frozen Vision-Language Models

When trained at a sufficient scale, self-supervised learning has exhibited a notable ability to solve a wide range of visual or language understanding tasks. In this paper, we investigate simple, yet effective approaches for adapting the pre-trained foundation models to the downstream task of interest, namely, open-vocabulary semantic segmentation. To this end, we make the following contributions: (i) we introduce Fusioner, with a lightweight, transformer-based fusion module, that pairs the frozen visual representation with language concept through a handful of image segmentation data. As a consequence, the model gains the capability of zero-shot transfer to segment novel categories; (ii) without loss of generality, we experiment on a broad range of self-supervised models that have been pre-trained with different schemes, e.g. visual-only models (MoCo v3, DINO), language-only models (BERT), visual-language model (CLIP), and show that, the proposed fusion approach is effective to any pair of visual and language models, even those pre-trained on a corpus of uni-modal data; (iii) we conduct thorough ablation studies to analyze the critical components in our proposed Fusioner, while evaluating on standard benchmarks, e.g. PASCAL-5i and COCO-20i , it surpasses existing state-of-the-art models by a large margin, despite only being trained on frozen visual and language features; (iv) to measure the model's robustness on learning visual-language correspondence, we further evaluate on synthetic dataset, named Mosaic-4, where images are constructed by mosaicking the samples from FSS-1000. Fusioner demonstrates superior performance over previous models.

  • 5 authors
·
Oct 26, 2022

Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

  • 10 authors
·
Nov 20, 2024

MoCo: A One-Stop Shop for Model Collaboration Research

Advancing beyond single monolithic language models (LMs), recent research increasingly recognizes the importance of model collaboration, where multiple LMs collaborate, compose, and complement each other. Existing research on this topic has mostly been disparate and disconnected, from different research communities, and lacks rigorous comparison. To consolidate existing research and establish model collaboration as a school of thought, we present MoCo: a one-stop Python library of executing, benchmarking, and comparing model collaboration algorithms at scale. MoCo features 26 model collaboration methods, spanning diverse levels of cross-model information exchange such as routing, text, logit, and model parameters. MoCo integrates 25 evaluation datasets spanning reasoning, QA, code, safety, and more, while users could flexibly bring their own data. Extensive experiments with MoCo demonstrate that most collaboration strategies outperform models without collaboration in 61.0% of (model, data) settings on average, with the most effective methods outperforming by up to 25.8%. We further analyze the scaling of model collaboration strategies, the training/inference efficiency of diverse methods, highlight that the collaborative system solves problems where single LMs struggle, and discuss future work in model collaboration, all made possible by MoCo. We envision MoCo as a valuable toolkit to facilitate and turbocharge the quest for an open, modular, decentralized, and collaborative AI future.

  • 20 authors
·
Apr 18