Related papers: Improving Molecular Representation Learning with M…

Optimal Transport (OT) is a mathematical framework that first emerged in the eighteenth century and has led to a plethora of methods for answering many theoretical and applied questions. The last decade has been a witness to the remarkable…

Multi-robot transfer learning allows a robot to use data generated by a second, similar robot to improve its own behavior. The potential advantages are reducing the time of training and the unavoidable risks that exist during the training…

We present a novel reduced-order Model (ROM) that leverages optimal transport (OT) theory and displacement interpolation to enhance the representation of nonlinear dynamics in complex systems. While traditional ROM techniques face…

Referring understanding is a fundamental task that bridges natural language and visual content by localizing objects described in free-form expressions. However, existing works are constrained by limited language expressiveness, lacking the…

Recently supervised machine learning has been ascending in providing new predictive approaches for chemical, biological and materials sciences applications. In this Perspective we focus on the interplay of machine learning algorithm with…

Multi-task learning has gained popularity due to the advantages it provides with respect to resource usage and performance. Nonetheless, the joint optimization of parameters with respect to multiple tasks remains an active research topic.…

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements $(\boldsymbol{\mu}, \boldsymbol{\nu})$ are coupled to covariates, a challenging conditional distribution learning setting arises.…

The availability of data is limited in some fields, especially for object detection tasks, where it is necessary to have correctly labeled bounding boxes around each object. A notable example of such data scarcity is found in the domain of…

We introduce Resonant Anomaly Detection with Optimal Transport (RAD-OT), a method for generating signal templates in resonant anomaly detection searches. RAD-OT leverages the fact that the conditional probability density of the target…

In recent years, molecular representation learning has emerged as a key area of focus in various chemical tasks. However, many existing models fail to fully consider the geometric information of molecular structures, resulting in less…

We present a machine learning based approach to address the study of transport processes, ubiquitous in continuous mechanics, with particular attention to those phenomena ruled by complex micro-physics, impractical to theoretical…

Optimal Transport (OT) has established itself as a robust framework for quantifying differences between distributions, with applications that span fields such as machine learning, data science, and computer vision. This paper offers a…

Neural language models are often trained with maximum likelihood estimation (MLE), where the next word is generated conditioned on the ground-truth word tokens. During testing, however, the model is instead conditioned on previously…

Optimal transport (OT) is a popular tool in machine learning to compare probability measures geometrically, but it comes with substantial computational burden. Linear programming algorithms for computing OT distances scale cubically in the…

Object-goal navigation requires mobile robots to efficiently locate targets with visual and spatial information, yet existing methods struggle with generalization in unseen environments. Heuristic approaches with naive metrics fail in…

Experimental validation of chemical processes is slow and costly, limiting exploration in materials discovery. Machine learning can prioritize promising candidates, but existing data in patents and literature is heterogeneous and difficult…

The use of machine learning in chemistry has become a common practice. At the same time, despite the success of modern machine learning methods, the lack of data limits their use. Using a transfer learning methodology can help solve this…

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Mobile robots rely on maps to navigate through an environment. In the absence of any map, the robots must build the map online from partial observations as they move in the environment. Traditional methods build a map using only direct…

In this paper, we tackle the inductive semi-supervised learning problem that aims to obtain label predictions for out-of-sample data. The proposed approach, called Optimal Transport Induction (OTI), extends efficiently an optimal transport…