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Machine learning approaches to Structure-Based Drug Design (SBDD) have proven quite fertile over the last few years. In particular, diffusion-based approaches to SBDD have shown great promise. We present a technique which expands on this…

Machine Learning · Computer Science 2024-07-01 Matan Halfon , Eyal Rozenberg , Ehud Rivlin , Daniel Freedman

Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…

Materials Science · Physics 2024-08-15 Anshuman Sinha , Shuyi Jia , Victor Fung

Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no efforts have achieved the inverse design of FRPCs that target…

Soft Condensed Matter · Physics 2024-12-03 Pei Xu , Yunpeng Wu , Srikanth Pilla , Gang Li , Feng Luo

Recent methods have shown that pre-trained diffusion models can be fine-tuned to enable generative inverse rendering by learning image-conditioned noise-to-intrinsic mapping. Despite their remarkable progress, they struggle to robustly…

Computer Vision and Pattern Recognition · Computer Science 2025-07-15 Rongjia Zheng , Qing Zhang , Chengjiang Long , Wei-Shi Zheng

3D policy learning promises superior generalization and cross-embodiment transfer, but progress has been hindered by training instabilities and severe overfitting, precluding the adoption of powerful 3D perception models. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2026-04-17 Zhengdong Hong , Shenrui Wu , Haozhe Cui , Boyi Zhao , Ran Ji , Yiyang He , Hangxing Zhang , Zundong Ke , Jun Wang , Guofeng Zhang , Jiayuan Gu

We present DIRECT-3D, a diffusion-based 3D generative model for creating high-quality 3D assets (represented by Neural Radiance Fields) from text prompts. Unlike recent 3D generative models that rely on clean and well-aligned 3D data,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-10 Qihao Liu , Yi Zhang , Song Bai , Adam Kortylewski , Alan Yuille

Diffusion models have emerged as the mainstream approach for visual generation. However, these models typically suffer from sample inefficiency and high training costs. Consequently, methods for efficient finetuning, inference and…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Felix Krause , Timy Phan , Ming Gui , Stefan Andreas Baumann , Vincent Tao Hu , Björn Ommer

The reconstruction of the 3D permittivity map from ground-penetrating radar (GPR) data is of great importance for mapping subsurface environments and inspecting underground structural integrity. Traditional iterative 3D reconstruction…

Signal Processing · Electrical Eng. & Systems 2023-07-19 Qiqi Dai , Yee Hui Lee , Hai-Han Sun , Genevieve Ow , Mohamed Lokman Mohd Yusof , Abdulkadir C. Yucel

We train a feed-forward text-to-3D diffusion generator for human characters using only single-view 2D data for supervision. Existing 3D generative models cannot yet match the fidelity of image or video generative models. State-of-the-art 3D…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Souhaib Attaiki , Paul Guerrero , Duygu Ceylan , Niloy J. Mitra , Maks Ovsjanikov

Three-dimensional microscopy is often limited by anisotropic spatial resolution, resulting in lower axial resolution than lateral resolution. Current State-of-The-Art (SoTA) isotropic reconstruction methods utilizing deep neural networks…

Image and Video Processing · Electrical Eng. & Systems 2023-06-22 Mingjie Pan , Yulu Gan , Fangxu Zhou , Jiaming Liu , Aimin Wang , Shanghang Zhang , Dawei Li

Reinforcement learning has traditionally focused on a singular objective: learning policies that select actions to maximize reward. We challenge this paradigm by asking: what if we explicitly architected RL systems as inference engines that…

Artificial Intelligence · Computer Science 2025-11-13 Mehrdad Zakershahrak

Diffusion models recently emerged as a powerful paradigm for recommender systems, offering state-of-the-art performance by modeling the generative process of user-item interactions. However, training such models from scratch is both…

Information Retrieval · Computer Science 2025-11-11 Yu Hou , Hua Li , Ha Young Kim , Won-Yong Shin

Numerous diffusion model (DM)-based methods have been proposed for solving inverse imaging problems. Among these, a recent line of work has demonstrated strong performance by formulating sampling as an optimization procedure that enforces…

Image and Video Processing · Electrical Eng. & Systems 2025-11-19 Shijun Liang , Ismail Alkhouri , Qing Qu , Rongrong Wang , Saiprasad Ravishankar

Decision Transformer (DT), a trajectory modelling method, has shown competitive performance compared to traditional offline reinforcement learning (RL) approaches on various classic control tasks. However, it struggles to learn optimal…

Machine Learning · Computer Science 2025-09-18 Xingshuai Huang , Di Wu , Benoit Boulet

In the past few years, a lot of work has been done towards reconstructing the 3D facial structure from single images by capitalizing on the power of Deep Convolutional Neural Networks (DCNNs). In the most recent works, differentiable…

Computer Vision and Pattern Recognition · Computer Science 2020-09-09 Baris Gecer , Stylianos Ploumpis , Irene Kotsia , Stefanos Zafeiriou

The fundamental goal of generative drug design is to propose optimized molecules that meet predefined activity, selectivity, and pharmacokinetic criteria. Despite recent progress, we argue that existing generative methods are limited in…

Chemical Physics · Physics 2020-12-17 Julien Horwood , Emmanuel Noutahi

The structure of an RNA molecule plays a significant role in its biological function. Predicting structure given a one dimensional sequence of RNA nucleotide bases is a difficult and important problem. Many computer programs (known as in…

Biomolecules · Quantitative Biology 2021-06-15 Mark W. Lewis , Amit Verma , Rick Hennig

In sequence-to-sequence Transformer ASR, autoregressive (AR) models achieve strong accuracy but suffer from slow decoding, while non-autoregressive (NAR) models enable parallel decoding at the cost of degraded performance. We propose a…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-26 Hao Yen , Pin-Jui Ku , Ante Jukić , Sabato Marco Siniscalchi

Retrieval-augmented generation (RAG) has become a cornerstone for knowledge-intensive tasks. However, the efficacy of RAG is often bottlenecked by the ``one-size-fits-all'' retrieval paradigm, as different queries exhibit distinct…

Information Retrieval · Computer Science 2026-04-28 Tong Zhao , Yutao Zhu , Yucheng Tian , Zhicheng Dou

Deep neural network approaches to inverse imaging problems have produced impressive results in the last few years. In this paper, we consider the use of generative models in a variational regularisation approach to inverse problems. The…

Image and Video Processing · Electrical Eng. & Systems 2022-06-22 Margaret Duff , Neill D. F. Campbell , Matthias J. Ehrhardt