Related papers: GLSO: Grammar-guided Latent Space Optimization for…

Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired…

In neural architecture search (NAS) methods based on latent space optimization (LSO), a deep generative model is trained to embed discrete neural architectures into a continuous latent space. In this case, different optimization algorithms…

Designing robot morphologies and kinematics has traditionally relied on human intuition, with little systematic foundation. Motion-design co-optimization offers a promising path toward automation, but two major challenges remain: (i) the…

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…

The graphical Lasso (GLASSO) is a widely used algorithm for learning high-dimensional undirected Gaussian graphical models (GGM). Given i.i.d. observations from a multivariate normal distribution, GLASSO estimates the precision matrix by…

Imitation learning is an intuitive approach for teaching motion to robotic systems. Although previous studies have proposed various methods to model demonstrated movement primitives, one of the limitations of existing methods is that the…

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…

VAEs (Variational AutoEncoders) have proved to be powerful in the context of density modeling and have been used in a variety of contexts for creative purposes. In many settings, the data we model possesses continuous attributes that we…

Latent space optimization (LSO) is a powerful method for designing discrete, high-dimensional biological sequences that maximize expensive black-box functions, such as wet lab experiments. This is accomplished by learning a latent space…

When designing variational autoencoders (VAEs) or other types of latent space models, the dimensionality of the latent space is typically defined upfront. In this process, it is possible that the number of dimensions is under- or…

Bayesian Optimisation (BO) is a state-of-the-art global optimisation technique for black-box problems where derivative information is unavailable, and sample efficiency is crucial. However, improving the general scalability of BO has proved…

Data-efficiency is crucial for autonomous robots to adapt to new tasks and environments. In this work we focus on robotics problems with a budget of only 10-20 trials. This is a very challenging setting even for data-efficient approaches…

The ability to accurately model random fields plays a critical role in science and engineering for problems involving uncertain, spatially-varying quantities such as heterogeneous material properties and turbulent flows. Deep generative…

We develop Latent Exploration Score (LES) to mitigate over-exploration in Latent Space Optimization (LSO), a popular method for solving black-box discrete optimization problems. LSO utilizes continuous optimization within the latent space…

We investigate a fully Latent AutoRegressive scheme based on a Gaussian Process (GP) integrated into a Variational Autoencoder (VAE). In this setting, sequential dynamics are transferred from the observation space to a continuous latent…

Latent-space Bayesian optimization (LSBO) extends Bayesian optimization to structured domains, such as molecular design, by searching in the continuous latent space of a generative model. However, most LSBO methods assume a fixed objective,…

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…

We introduce a method combining variational autoencoders (VAEs) and deep metric learning to perform Bayesian optimisation (BO) over high-dimensional and structured input spaces. By adapting ideas from deep metric learning, we use label…

We revisit the long-standing problem of learning from a small sample, to which end we propose a novel method called GLICO (Generative Latent Implicit Conditional Optimization). GLICO learns a mapping from the training examples to a latent…

In spite of remarkable progress in deep latent variable generative modeling, training still remains a challenge due to a combination of optimization and generalization issues. In practice, a combination of heuristic algorithms (such as…