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In the text-to-image generation field, recent remarkable progress in Stable Diffusion makes it possible to generate rich kinds of novel photorealistic images. However, current models still face misalignment issues (e.g., problematic spatial…

计算机视觉与模式识别 · 计算机科学 2023-08-15 Leigang Qu , Shengqiong Wu , Hao Fei , Liqiang Nie , Tat-Seng Chua

Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in…

Ensuring that Large Language Models (LLMs) generate text representative of diverse sub-populations is essential, particularly when key concepts related to under-represented groups are scarce in the training data. We address this challenge…

计算与语言 · 计算机科学 2024-12-17 Sabit Hassan , Anthony Sicilia , Malihe Alikhani

Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion models), this task encounters unique challenges owing to the…

材料科学 · 物理学 2024-03-08 Rui Jiao , Wenbing Huang , Peijia Lin , Jiaqi Han , Pin Chen , Yutong Lu , Yang Liu

Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models…

机器学习 · 计算机科学 2026-01-15 Mianzhi Pan , JianFei Li , Peishuo Liu , Botian Wang , Yawen Ouyang , Yiming Rong , Hao Zhou , Jianbing Zhang

We present a novel framework for rectifying occlusions and distortions in degraded texture samples from natural images. Traditional texture synthesis approaches focus on generating textures from pristine samples, which necessitate…

图形学 · 计算机科学 2023-09-27 Guoqing Hao , Satoshi Iizuka , Kensho Hara , Edgar Simo-Serra , Hirokatsu Kataoka , Kazuhiro Fukui

We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior studies used the crystallographic information framework…

Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules.…

机器学习 · 计算机科学 2025-11-18 Lingxiao Li , Haobo Zhang , Bin Chen , Jiayu Zhou

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

机器学习 · 计算机科学 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

This paper proposes a two-stage text-to-floorplan generation framework that combines the reasoning capability of Large Language Models (LLMs) with the generative power of diffusion models. In the first stage, we leverage a Chain-of-Thought…

计算机视觉与模式识别 · 计算机科学 2025-03-11 Ziyang Zong , Guanying Chen , Zhaohuan Zhan , Fengcheng Yu , Guang Tan

Generating high-fidelity landscape paintings remains a challenging task that requires precise control over both structure and style. In this paper, we present LPGen, a novel diffusion-based model specifically designed for landscape painting…

计算机视觉与模式识别 · 计算机科学 2024-10-14 Wanggong Yang , Yifei Zhao

Recent advances in diffusion models have demonstrated impressive capability in generating high-quality images for simple prompts. However, when confronted with complex prompts involving multiple objects and hierarchical structures, existing…

计算机视觉与模式识别 · 计算机科学 2025-11-26 Hongji Yang , Yucheng Zhou , Wencheng Han , Runzhou Tao , Zhongying Qiu , Jianfei Yang , Jianbing Shen

Diffusion models have revolutionized image generation, yet several challenges restrict their application to large-image domains, such as digital pathology and satellite imagery. Given that it is infeasible to directly train a model on…

计算机视觉与模式识别 · 计算机科学 2025-03-26 Srikar Yellapragada , Alexandros Graikos , Kostas Triaridis , Prateek Prasanna , Rajarsi R. Gupta , Joel Saltz , Dimitris Samaras

Predictive models trained on imbalanced data tend to produce biased results. This problem is exacerbated when there is not just one output label, but a set of them. This is the case for multilabel learning (MLL) algorithms used to classify…

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

机器学习 · 计算机科学 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

Recent endeavors in Multimodal Large Language Models (MLLMs) aim to unify visual comprehension and generation by combining LLM and diffusion models, the state-of-the-art in each task, respectively. Existing approaches rely on spatial visual…

计算机视觉与模式识别 · 计算机科学 2025-04-22 Kaihang Pan , Wang Lin , Zhongqi Yue , Tenglong Ao , Liyu Jia , Wei Zhao , Juncheng Li , Siliang Tang , Hanwang Zhang

Automatic layout generation that can synthesize high-quality layouts is an important tool for graphic design in many applications. Though existing methods based on generative models such as Generative Adversarial Networks (GANs) and…

计算机视觉与模式识别 · 计算机科学 2023-05-05 Shang Chai , Liansheng Zhuang , Fengying Yan

Latent Diffusion models (LDMs) have achieved remarkable results in synthesizing high-resolution images. However, the iterative sampling process is computationally intensive and leads to slow generation. Inspired by Consistency Models (song…

计算机视觉与模式识别 · 计算机科学 2023-10-09 Simian Luo , Yiqin Tan , Longbo Huang , Jian Li , Hang Zhao

The emergence of Large Language Models (LLMs) has unified language generation tasks and revolutionized human-machine interaction. However, in the realm of image generation, a unified model capable of handling various tasks within a single…

计算机视觉与模式识别 · 计算机科学 2024-11-22 Shitao Xiao , Yueze Wang , Junjie Zhou , Huaying Yuan , Xingrun Xing , Ruiran Yan , Chaofan Li , Shuting Wang , Tiejun Huang , Zheng Liu

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…

社会与信息网络 · 计算机科学 2025-10-15 Bingqiao Gu , Jiale Zeng , Xingqin Qi , Dong Li