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Bayesian optimisation in the latent space of a Variational AutoEncoder (VAE) is a powerful framework for optimisation tasks over complex structured domains, such as the space of scientifically interesting molecules. However, existing…

Machine Learning · Computer Science 2025-07-08 Henry B. Moss , Sebastian W. Ober , Tom Diethe

Variational Autoencoders (VAEs) are powerful generative models that have been widely used in various fields, including image and text generation. However, one of the known challenges in using VAEs is the model's sensitivity to its…

Machine Learning · Computer Science 2024-12-31 Gabriela Sejnova , Michal Vavrecka , Karla Stepanova

We propose a new semi-supervised learning method of Variational AutoEncoder (VAE) which yields a customized and explainable latent space by EXplainable encoder Network (EXoN). Customization means a manual design of latent space layout for…

Machine Learning · Statistics 2022-10-18 SeungHwan An , Hosik Choi , Jong-June Jeon

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and multimodal parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of…

Machine Learning · Computer Science 2024-09-20 Arpan Biswas , Rama Vasudevan , Rohit Pant , Ichiro Takeuchi , Hiroshi Funakubo , Yongtao Liu

Constrained optimization problems can be difficult because their search spaces have properties not conducive to search, e.g., multimodality, discontinuities, or deception. To address such difficulties, considerable research has been…

Neural and Evolutionary Computing · Computer Science 2022-06-07 Peter J Bentley , Soo Ling Lim , Adam Gaier , Linh Tran

Learning compact and meaningful latent space representations has been shown to be very useful in generative modeling tasks for visual data. One particular example is applying Vector Quantization (VQ) in variational autoencoders (VQ-VAEs,…

Machine Learning · Computer Science 2024-09-18 Xin Li , Anand Sarwate

Sparse autoencoders (SAEs) are a popular method for interpreting concepts represented in large language model (LLM) activations. However, there is a lack of evidence regarding the validity of their interpretations due to the lack of a…

Machine Learning · Computer Science 2025-02-25 Subhash Kantamneni , Joshua Engels , Senthooran Rajamanoharan , Max Tegmark , Neel Nanda

We consider the problem of optimizing expensive black-box functions over discrete spaces (e.g., sets, sequences, graphs). The key challenge is to select a sequence of combinatorial structures to evaluate, in order to identify…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa , Alan Fern

Variational Autoencoder based Bayesian Optimization (VAE-BO) has demonstrated its excellent performance in addressing high-dimensional structured optimization problems. However, current mainstream methods overlook the potential of utilizing…

Machine Learning · Computer Science 2023-12-29 Taicai Chen , Yue Duan , Dong Li , Lei Qi , Yinghuan Shi , Yang Gao

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

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…

Computer Vision and Pattern Recognition · Computer Science 2025-08-28 Nikita Gabdullin

Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input locations for evaluation. When dealing with composite-structured functions, such as f=g o h,…

Machine Learning · Computer Science 2024-07-11 Natalie Maus , Zhiyuan Jerry Lin , Maximilian Balandat , Eytan Bakshy

Variational autoencoders (VAEs) are a popular framework for modeling complex data distributions; they can be efficiently trained via variational inference by maximizing the evidence lower bound (ELBO), at the expense of a gap to the exact…

As a widely recognized approach to deep generative modeling, Variational Auto-Encoders (VAEs) still face challenges with the quality of generated images, often presenting noticeable blurriness. This issue stems from the unrealistic…

Machine Learning · Computer Science 2023-05-22 Georgios Batzolis , Jan Stanczuk , Carola-Bibiane Schönlieb

Learning complex robot behaviors through interaction requires structured exploration. Planning should target interactions with the potential to optimize long-term performance, while only reducing uncertainty where conducive to this…

Machine Learning · Computer Science 2021-12-14 Tim Seyde , Wilko Schwarting , Sertac Karaman , Daniela Rus

Low-rank adaptation (LoRA) is a widely used method for parameter-efficient finetuning. However, existing LoRA variants lack mechanisms to explicitly disambiguate task-relevant information within the learned low-rank subspace, potentially…

Machine Learning · Computer Science 2025-10-23 Shashi Kumar , Yacouba Kaloga , John Mitros , Petr Motlicek , Ina Kodrasi

In contrast to single-objective optimization (SOO), multi-objective optimization (MOO) requires an optimizer to find the Pareto frontier, a subset of feasible solutions that are not dominated by other feasible solutions. In this paper, we…

Machine Learning · Computer Science 2024-08-13 Yiyang Zhao , Linnan Wang , Kevin Yang , Tianjun Zhang , Tian Guo , Yuandong Tian

Efficiently solving multi-objective optimization problems for simulation optimization of important scientific and engineering applications such as materials design is becoming an increasingly important research topic. This is due largely to…

Artificial Intelligence · Computer Science 2023-06-27 Eric Hans Lee , Bolong Cheng , Michael McCourt

This work proposes a novel deep network architecture to solve the camera Ego-Motion estimation problem. A motion estimation network generally learns features similar to Optical Flow (OF) fields starting from sequences of images. This OF can…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Gabriele Costante , Thomas A. Ciarfuglia

With the rapid increase in the number of Anthropogenic Space Objects (ASOs), Low Earth Orbit (LEO) is facing significant congestion, thereby posing challenges to space operators and risking the viability of the space environment for varied…