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Predicting stable and metastable structures is central to molecular and materials discovery, but remains limited by the cost of searching high-dimensional energy landscapes. Deep generative models offer efficient structure sampling, yet…

Artificial Intelligence · Computer Science 2026-05-26 Yifang Qin , Yu Shi , Junfu Tan , Chang Liu , Ming Zhang , Ziheng Lu

While generative modeling has become prevalent across numerous research fields, its integration into the realm of image retrieval remains largely unexplored and underjustified. In this paper, we present a novel methodology, reframing image…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Yidan Zhang , Ting Zhang , Dong Chen , Yujing Wang , Qi Chen , Xing Xie , Hao Sun , Weiwei Deng , Qi Zhang , Fan Yang , Mao Yang , Qingmin Liao , Jingdong Wang , Baining Guo

Generative Retrieval (GR) is an emerging paradigm in information retrieval that leverages generative models to directly map queries to relevant document identifiers (DocIDs) without the need for traditional query processing or document…

Information Retrieval · Computer Science 2024-06-05 Tzu-Lin Kuo , Tzu-Wei Chiu , Tzung-Sheng Lin , Sheng-Yang Wu , Chao-Wei Huang , Yun-Nung Chen

Knowledge-intensive language tasks (KILT) usually require a large body of information to provide correct answers. A popular paradigm to solve this problem is to combine a search system with a machine reader, where the former retrieves…

Computation and Language · Computer Science 2022-08-17 Jiangui Chen , Ruqing Zhang , Jiafeng Guo , Yiqun Liu , Yixing Fan , Xueqi Cheng

Although foundational vision-language models (VLMs) have proven to be very successful for various semantic discrimination tasks, they still struggle to perform faithfully for fine-grained categorization. Moreover, foundational models…

Computer Vision and Pattern Recognition · Computer Science 2024-09-10 Soumitri Chattopadhyay , Sanket Biswas , Emanuele Vivoli , Josep Lladós

Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalist Molecular generative model (GenMol), a versatile framework…

Machine Learning · Computer Science 2025-07-24 Seul Lee , Karsten Kreis , Srimukh Prasad Veccham , Meng Liu , Danny Reidenbach , Yuxing Peng , Saee Paliwal , Weili Nie , Arash Vahdat

The cross-media retrieval problem has received much attention in recent years due to the rapid increasing of multimedia data on the Internet. A new approach to the problem has been raised which intends to match features of different…

Multimedia · Computer Science 2015-12-18 Cuicui Kang , Shengcai Liao , Yonghao He , Jian Wang , Wenjia Niu , Shiming Xiang , Chunhong Pan

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

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

Generative Retrieval (GR), autoregressively decoding relevant document identifiers given a query, has been shown to perform well under the setting of small-scale corpora. By memorizing the document corpus with model parameters, GR…

Information Retrieval · Computer Science 2024-01-22 Peiwen Yuan , Xinglin Wang , Shaoxiong Feng , Boyuan Pan , Yiwei Li , Heda Wang , Xupeng Miao , Kan Li

Query reformulation is a well-known problem in Information Retrieval (IR) aimed at enhancing single search successful completion rate by automatically modifying user's input query. Recent methods leverage Large Language Models (LLMs) to…

Information Retrieval · Computer Science 2024-09-18 Wonduk Seo , Haojie Zhang , Yueyang Zhang , Changhao Zhang , Songyao Duan , Lixin Su , Daiting Shi , Jiashu Zhao , Dawei Yin

Recent advances in retrieval-augmented generation (RAG) have initiated a new era in repository-level code completion. However, the invariable use of retrieval in existing methods exposes issues in both efficiency and robustness, with a…

Software Engineering · Computer Science 2024-06-05 Di Wu , Wasi Uddin Ahmad , Dejiao Zhang , Murali Krishna Ramanathan , Xiaofei Ma

With the rapid development of large-scale language models, Retrieval-Augmented Generation (RAG) has been widely adopted. However, existing RAG paradigms are inevitably influenced by erroneous retrieval information, thereby reducing the…

Information Retrieval · Computer Science 2024-05-30 Ridong Wu , Shuhong Chen , Xiangbiao Su , Yuankai Zhu , Yifei Liao , Jianming Wu

Generative Large Language Models (LLMs) are a promising approach to structuring knowledge contained within the corpora of research literature produced by large-scale and long-running scientific collaborations. Within experimental particle…

High Energy Physics - Experiment · Physics 2025-09-09 James McGreivy , Blaise Delaney , Anja Beck , Mike Williams

A common practice for text retrieval is to use an encoder to map the documents and the query to a common vector space and perform a nearest neighbor search (NNS); multi-hop retrieval also often adopts the same paradigm, usually with a…

Information Retrieval · Computer Science 2022-10-18 Hyunji Lee , Sohee Yang , Hanseok Oh , Minjoon Seo

Masked Autoregressive (MAR) models promise better efficiency in visual generation than autoregressive (AR) models for the ability of parallel generation, yet their acceleration potential remains constrained by the modeling complexity of…

Computer Vision and Pattern Recognition · Computer Science 2026-01-28 Feihong Yan , Peiru Wang , Yao Zhu , Kaiyu Pang , Qingyan Wei , Huiqi Li , Linfeng Zhang

We present Gaussian Mixture Replay (GMR), a rehearsal-based approach for continual learning (CL) based on Gaussian Mixture Models (GMM). CL approaches are intended to tackle the problem of catastrophic forgetting (CF), which occurs for Deep…

Machine Learning · Computer Science 2021-04-20 Benedikt Pfülb , Alexander Gepperth

With the rapid advancement of multimodal information retrieval, increasingly complex retrieval tasks have emerged. Existing methods predominately rely on task-specific fine-tuning of vision-language models, often those trained with…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Yikun Liu , Pingan Chen , Jiayin Cai , Xiaolong Jiang , Yao Hu , Jiangchao Yao , Yanfeng Wang , Weidi Xie

Generative retrieval represents a novel approach to information retrieval. It uses an encoder-decoder architecture to directly produce relevant document identifiers (docids) for queries. While this method offers benefits, current approaches…

Information Retrieval · Computer Science 2024-09-30 Yubao Tang , Ruqing Zhang , Jiafeng Guo , Maarten de Rijke , Wei Chen , Xueqi Cheng

Deploying Large Language Model (LLM) applications, particularly those relying on Retrieval-Augmented Generation (RAG), remains challenging due to high computational demands, outdated knowledge bases, and the need to manually select optimal…