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Inspired by the success of deep learning techniques in the physical and chemical sciences, we apply a modification of an autoencoder type deep neural network to the task of dimension reduction of molecular dynamics data. We can show that…

机器学习 · 统计学 2018-04-04 Christoph Wehmeyer , Frank Noé

The use of Variational Autoencoders in different Machine Learning tasks has drastically increased in the last years. They have been developed as denoising, clustering and generative tools, highlighting a large potential in a wide range of…

机器学习 · 计算机科学 2019-07-12 Helena Andrés-Terré , Pietro Lió

A major challenge in computational chemistry is the generation of novel molecular structures with desirable pharmacological and physiochemical properties. In this work, we investigate the potential use of autoencoder, a deep learning…

机器学习 · 计算机科学 2017-11-22 Thomas Blaschke , Marcus Olivecrona , Ola Engkvist , Jürgen Bajorath , Hongming Chen

We train multi-task autoencoders on linguistic tasks and analyze the learned hidden sentence representations. The representations change significantly when translation and part-of-speech decoders are added. The more decoders a model…

计算与语言 · 计算机科学 2018-01-19 Gino Brunner , Yuyi Wang , Roger Wattenhofer , Michael Weigelt

The increasing prevalence of Large Language Models (LMs) in critical applications highlights the need for controlled language generation strategies that are not only computationally efficient but that also enjoy performance guarantees. To…

计算与语言 · 计算机科学 2026-03-16 Emily Cheng , Carmen Amo Alonso

Despite their remarkable ability to capture linguistic nuances across diverse languages, questions persist regarding the degree of alignment between languages in multilingual embeddings. Drawing inspiration from research on high-dimensional…

计算与语言 · 计算机科学 2024-05-24 Basel Mousi , Nadir Durrani , Fahim Dalvi , Majd Hawasly , Ahmed Abdelali

Audio autoencoders learn useful, compressed audio representations, but their non-linear latent spaces prevent intuitive algebraic manipulation such as mixing or scaling. We introduce a simple training methodology to induce linearity in a…

声音 · 计算机科学 2026-01-29 Bernardo Torres , Manuel Moussallam , Gabriel Meseguer-Brocal

Generative models that learn disentangled representations for different factors of variation in an image can be very useful for targeted data augmentation. By sampling from the disentangled latent subspace of interest, we can efficiently…

计算机视觉与模式识别 · 计算机科学 2018-05-08 Ananya Harsh Jha , Saket Anand , Maneesh Singh , V. S. R. Veeravasarapu

Representation learning for text via pretraining a language model on a large corpus has become a standard starting point for building NLP systems. This approach stands in contrast to autoencoders, also trained on raw text, but with the…

计算与语言 · 计算机科学 2021-09-14 Ivan Montero , Nikolaos Pappas , Noah A. Smith

A new trend uses LLMs as dense text encoders via contrastive learning. However, since LLM embeddings predict the probability distribution of the next token, they are inherently generative and distributive, conflicting with contrastive…

计算与语言 · 计算机科学 2025-10-17 Jingcheng Deng , Zhongtao Jiang , Liang Pang , Liwei Chen , Kun Xu , Zihao Wei , Huawei Shen , Xueqi Cheng

In this paper, we investigate the usage of autoencoders in modeling textual data. Traditional autoencoders suffer from at least two aspects: scalability with the high dimensionality of vocabulary size and dealing with task-irrelevant words.…

机器学习 · 计算机科学 2015-12-15 Shuangfei Zhai , Zhongfei Zhang

Semantic sentence embedding models encode natural language sentences into vectors, such that closeness in embedding space indicates closeness in the semantics between the sentences. Bilingual data offers a useful signal for learning such…

计算与语言 · 计算机科学 2020-11-20 John Wieting , Graham Neubig , Taylor Berg-Kirkpatrick

In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…

机器学习 · 计算机科学 2021-01-06 Robin Winter , Frank Noé , Djork-Arné Clevert

Variational autoencoders (VAEs) have received much attention recently as an end-to-end architecture for text generation with latent variables. In this paper, we investigate several multi-level structures to learn a VAE model to generate…

计算与语言 · 计算机科学 2019-06-21 Dinghan Shen , Asli Celikyilmaz , Yizhe Zhang , Liqun Chen , Xin Wang , Jianfeng Gao , Lawrence Carin

Sparse autoencoders have become a standard tool for uncovering interpretable latent representations in neural networks. Yet salient concepts often span manifolds that current linear methods cannot capture without post hoc analysis. This…

机器学习 · 计算机科学 2026-05-12 Thomas Dooms , Ward Gauderis , Geraint Wiggins , Jose Oramas

Token representations in high-dimensional latent spaces often exhibit redundancy, limiting computational efficiency and reducing structural coherence across model layers. Hierarchical latent space folding introduces a structured…

计算与语言 · 计算机科学 2025-08-11 Fenella Harcourt , Naderdel Piero , Gilbert Sutherland , Daphne Holloway , Harriet Bracknell , Julian Ormsby

We focus on chaotic dynamical systems and analyze their time series with the use of autoencoders, i.e., configurations of neural networks that map identical output to input. This analysis results in the determination of the latent space…

神经与进化计算 · 计算机科学 2024-06-19 N. Almazova , G. D. Barmparis , G. P. Tsironis

Unsupervised learning is of growing interest because it unlocks the potential held in vast amounts of unlabelled data to learn useful representations for inference. Autoencoders, a form of generative model, may be trained by learning to…

计算机视觉与模式识别 · 计算机科学 2018-01-08 Antonia Creswell , Anil Anthony Bharath

Sparse autoencoders are a standard tool for uncovering interpretable latent representations in neural networks. Yet, their interpretation depends on the inputs, making their isolated study incomplete. Polynomials offer a solution; they…

机器学习 · 计算机科学 2025-10-21 Thomas Dooms , Ward Gauderis

In this paper we propose Structuring AutoEncoders (SAE). SAEs are neural networks which learn a low dimensional representation of data which are additionally enriched with a desired structure in this low dimensional space. While traditional…

机器学习 · 计算机科学 2019-08-20 Marco Rudolph , Bastian Wandt , Bodo Rosenhahn