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Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology. We introduce in this paper an efficient training-free…

Machine Learning · Computer Science 2025-11-18 Jiri Navratil , Jarret Ross , Payel Das , Youssef Mroueh , Samuel C Hoffman , Vijil Chenthamarakshan , Brian Belgodere

A unified diffusion framework for multi-modal generation and understanding has the transformative potential to achieve seamless and controllable image diffusion and other cross-modal tasks. In this paper, we introduce MMGen, a unified…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Jiepeng Wang , Zhaoqing Wang , Hao Pan , Yuan Liu , Dongdong Yu , Changhu Wang , Wenping Wang

Synthetic tabular data generation has attracted growing attention due to its importance for data augmentation, foundation models, and privacy. However, real-world tabular datasets increasingly contain free-form text fields (e.g., reviews or…

Machine Learning · Computer Science 2026-05-13 Donghong Cai , Jiarui Feng , Yanbo Wang , Da Zheng , Yixin Chen , Muhan Zhang

Controllable generation is a fundamental task in NLP with many applications, providing a basis for function calling to agentic communication. However, even state-of-the-art autoregressive Large Language Models (LLMs) today exhibit…

Computation and Language · Computer Science 2025-09-29 Zhen Xiong , Yujun Cai , Zhecheng Li , Yiwei Wang

Cross-domain Recommendation (CDR) exploits multi-domain correlations to alleviate data sparsity. As a core task within this field, inter-domain recommendation focuses on predicting preferences for users who interact in a source domain but…

Information Retrieval · Computer Science 2026-04-08 Ziang Lu , Lei Sang , Lin Mu , Yiwen Zhang

In the real world, a molecule is a 3D geometric structure. Compared to 1D SMILES sequences and 2D molecular graphs, 3D molecules represent the most informative molecular modality. Despite the rapid progress of autoregressive-based language…

Computational Engineering, Finance, and Science · Computer Science 2025-08-15 Lei Jiang , Shuzhou Sun , Biqing Qi , Yuchen Fu , Xiaohua Xu , Yuqiang Li , Dongzhan Zhou , Tianfan Fu

Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning…

Quantum Physics · Physics 2024-05-22 Florian Fürrutter , Gorka Muñoz-Gil , Hans J. Briegel

In this article, we present a Latent Diffusion Model (LDM) for the generation of brain Magnetic Resonance Imaging (MRI), conditioning its generation based on pathology (Healthy, Glioblastoma, Sclerosis, Dementia) and acquisition modality…

Controllable Text Generation (CTG) is emerging area in the field of natural language generation (NLG). It is regarded as crucial for the development of advanced text generation technologies that better meet the specific constraints in…

Computation and Language · Computer Science 2023-08-25 Hanqing Zhang , Haolin Song , Shaoyu Li , Ming Zhou , Dawei Song

Early DNA foundation models adopted BERT-style training, achieving good performance on DNA understanding tasks but lacking generative capabilities. Recent autoregressive models enable DNA generation, but employ left-to-right causal modeling…

Machine Learning · Computer Science 2026-03-03 Zhao Yang , Hengchang Liu , Chuan Cao , Bing Su

Recent advancements in computational chemistry have leveraged the power of trans-former-based language models, such as MoLFormer, pre-trained using a vast amount of simplified molecular-input line-entry system (SMILES) sequences, to…

Biomolecules · Quantitative Biology 2024-11-05 Tianhao Peng , Yuchen Li , Xuhong Li , Jiang Bian , Zeke Xie , Ning Sui , Shahid Mumtaz , Yanwu Xu , Linghe Kong , Haoyi Xiong

Conditional diffusion models have achieved remarkable success in various generative tasks recently, but their training typically relies on large-scale datasets that inevitably contain imprecise information in conditional inputs. Such…

Machine Learning · Computer Science 2025-10-13 Dong-Dong Wu , Jiacheng Cui , Wei Wang , Zhiqiang Shen , Masashi Sugiyama

Despite recent advancements in 3D generation methods, achieving controllability still remains a challenging issue. Current approaches utilizing score-distillation sampling are hindered by laborious procedures that consume a significant…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Hongbin Xu , Weitao Chen , Zhipeng Zhou , Feng Xiao , Baigui Sun , Mike Zheng Shou , Wenxiong Kang

The Latent Diffusion Model (LDM) has demonstrated strong capabilities in high-resolution image generation and has been widely employed for Pose-Guided Person Image Synthesis (PGPIS), yielding promising results. However, the compression…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Jiaqi Liu , Jichao Zhang , Paolo Rota , Nicu Sebe

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo

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…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Srikar Yellapragada , Alexandros Graikos , Kostas Triaridis , Prateek Prasanna , Rajarsi R. Gupta , Joel Saltz , Dimitris Samaras

Diffusion language models have recently emerged as a leading alternative to standard language models, due to their ability for bidirectional attention and parallel text generation. In this work, we explore variants for their use in speech…

Computation and Language · Computer Science 2026-04-30 Davyd Naveriani , Albert Zeyer , Ralf Schlüter , Hermann Ney

Trajectory-controlled human motion generation aims to synthesize realistic human motions conditioned on both textual descriptions and spatial trajectories. However, existing methods suffer from two critical limitations: first, the conflict…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Deli Cai , Haoyang Ma , Changxing Ding
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