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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…
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…
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…
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…
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…
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…
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,…
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.…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…