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We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…

机器学习 · 计算机科学 2024-03-26 Haote Li , Yu Shee , Brandon Allen , Federica Maschietto , Victor Batista

Autoencoders have emerged as powerful models for visualization and dimensionality reduction based on the fundamental assumption that high-dimensional data is generated from a low-dimensional manifold. A critical challenge in autoencoder…

机器学习 · 计算机科学 2025-09-30 Qipeng Zhan , Zhuoping Zhou , Zexuan Wang , Li Shen

Knowledge graph embedding (KGE) has shown great potential in automatic knowledge graph (KG) completion and knowledge-driven tasks. However, recent KGE models suffer from high training cost and large storage space, thus limiting their…

机器学习 · 计算机科学 2022-05-25 Kai Wang , Yu Liu , Quan Z. Sheng

For centuries, cutting and folding the papers with special patterns have been used to build beautiful, flexible and complex three-dimensional structures. Inspired by the old idea of kirigami (paper cutting), and the outstanding properties…

介观与纳米尺度物理 · 物理学 2017-11-03 Bohayra Mortazavi , Aurélien Lherbier , Zheyong Fan , Ari Harju , Timon Rabczuk , Jean-Christophe Charlier

Inspired by the masked language modeling (MLM) in natural language processing tasks, the masked image modeling (MIM) has been recognized as a strong self-supervised pre-training method in computer vision. However, the high random mask ratio…

计算机视觉与模式识别 · 计算机科学 2024-06-04 Zhaowen Li , Yousong Zhu , Zhiyang Chen , Wei Li , Chaoyang Zhao , Rui Zhao , Ming Tang , Jinqiao Wang

We present a novel masked image modeling (MIM) approach, context autoencoder (CAE), for self-supervised representation pretraining. We pretrain an encoder by making predictions in the encoded representation space. The pretraining tasks…

计算机视觉与模式识别 · 计算机科学 2023-08-11 Xiaokang Chen , Mingyu Ding , Xiaodi Wang , Ying Xin , Shentong Mo , Yunhao Wang , Shumin Han , Ping Luo , Gang Zeng , Jingdong Wang

Generative self-supervised learning (SSL), especially masked autoencoders, has become one of the most exciting learning paradigms and has shown great potential in handling graph data. However, real-world graphs are always heterogeneous,…

机器学习 · 计算机科学 2023-02-13 Yijun Tian , Kaiwen Dong , Chunhui Zhang , Chuxu Zhang , Nitesh V. Chawla

Spinodal metamaterials, with architectures inspired by natural phase-separation processes, have presented a significant alternative to periodic and symmetric morphologies when designing mechanical metamaterials with extreme performance.…

计算工程、金融与科学 · 计算机科学 2025-01-10 Prakash Thakolkaran , Michael A. Espinal , Somayajulu Dhulipala , Siddhant Kumar , Carlos M. Portela

Unsupervised learning methods have become increasingly important in deep learning due to their demonstrated large utilization of datasets and higher accuracy in computer vision and natural language processing tasks. There is a growing trend…

计算机视觉与模式识别 · 计算机科学 2023-10-18 Guoxin Wang , Qingyuan Wang , Ganesh Neelakanta Iyer , Avishek Nag , Deepu John

Autoencoders (AE) are simple yet powerful class of neural networks that compress data by projecting input into low-dimensional latent space (LS). Whereas LS is formed according to the loss function minimization during training, its…

计算机视觉与模式识别 · 计算机科学 2025-08-28 Nikita Gabdullin

Sparse Autoencoders (SAEs) have emerged as a promising approach for interpreting neural network representations by learning sparse, human-interpretable features from dense activations. We investigate whether incorporating variational…

机器学习 · 计算机科学 2025-10-03 Zachary Baker , Yuxiao Li

Liquid metals (LM) are embedded in an elastomer matrix to obtain soft composites with unique thermal, dielectric, and mechanical properties. They have applications in soft robotics, biomedical engineering, and wearable electronics. By…

材料科学 · 物理学 2025-07-25 Abhijith Thoopul Anantharanga , Mohammad Saber Hashemi , Azadeh Sheidaei

Mechanical and phononic metamaterials exhibiting negative elastic moduli, gapped vibrational spectra, or topologically protected modes enable precise control of structural and acoustic functionalities. While much progress has been made in…

材料科学 · 物理学 2019-09-25 Henrik Ronellenfitsch , Norbert Stoop , Josephine Yu , Aden Forrow , Jörn Dunkel

Data encoding is a common and central operation in most data analysis tasks. The performance of other models downstream in the computational process highly depends on the quality of data encoding. One of the most powerful ways to encode…

机器学习 · 计算机科学 2025-09-03 Teddy Lazebnik , Liron Simon-Keren

Deep neural networks are powerful tools for biomedical image segmentation. These models are often trained with heavy supervision, relying on pairs of images and corresponding voxel-level labels. However, obtaining segmentations of…

图像与视频处理 · 电气工程与系统科学 2020-04-30 Evan M. Yu , Juan Eugenio Iglesias , Adrian V. Dalca , Mert R. Sabuncu

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

材料科学 · 物理学 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

As large language models (LLMs) grow in scale and capability, understanding their internal mechanisms becomes increasingly critical. Sparse autoencoders (SAEs) have emerged as a key tool in mechanistic interpretability, enabling the…

计算与语言 · 计算机科学 2025-06-10 Jiaming Li , Haoran Ye , Yukun Chen , Xinyue Li , Lei Zhang , Hamid Alinejad-Rokny , Jimmy Chih-Hsien Peng , Min Yang

Sparse autoencoders (SAEs) have recently emerged as a powerful tool for interpreting the features learned by large language models (LLMs). By reconstructing features with sparsely activated networks, SAEs aim to recover complex superposed…

机器学习 · 计算机科学 2026-03-05 Jingyi Cui , Qi Zhang , Yifei Wang , Yisen Wang

Thick origami structures are considered here as assemblies of polygonal panels hinged to each other along their edges according to a corresponding origami crease pattern. The determination of the internal actions caused by external loads in…

软凝聚态物质 · 物理学 2024-05-21 Andrea Micheletti , Alessandro Tiero , Giuseppe Tomassetti

We present the Material Masked Autoencoder (MMAE), a self-supervised Vision Transformer pretrained on a large corpus of short-fiber composite images via masked image reconstruction. The pretrained MMAE learns latent representations that…

计算工程、金融与科学 · 计算机科学 2025-10-23 Ting-Ju Wei , Chuin-Shan Chen