相关论文: Data-Efficient Machine Learning Potentials via Dif…

Vision-and-Language Navigation (VLN) requires an agent to follow natural-language instructions, explore the given environments, and reach the desired target locations. These step-by-step navigational instructions are crucial when the agent…

Machine learning (ML) tools such as encoder-decoder convolutional neural networks (CNN) can represent incredibly complex nonlinear functions which map between combinations of images and scalars. For example, CNNs can be used to map…

Deep state-space models (DSSMs) enable temporal predictions by learning the underlying dynamics of observed sequence data. They are often trained by maximising the evidence lower bound. However, as we show, this does not ensure the model…

Video Variational Autoencoder (VAE) enables latent video generative modeling by mapping the visual world into compact spatiotemporal latent spaces, improving training efficiency and stability. While existing video VAEs achieve commendable…

Self-supervised disentangled representation learning is a critical task in sequence modeling. The learnt representations contribute to better model interpretability as well as the data generation, and improve the sample efficiency for…

Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metallization and dissociation dynamics. To understand and model…

Deep learning (DL) inverse techniques have increased the speed of artificial electromagnetic material (AEM) design and improved the quality of resulting devices. Many DL inverse techniques have succeeded on a number of AEM design tasks, but…

Comprehensive and unambiguous identification of small molecules in complex samples will revolutionize our understanding of the role of metabolites in biological systems. Existing and emerging technologies have enabled measurement of…

The data-driven discovery of partial differential equations (PDEs) consistent with spatiotemporal data is experiencing a rebirth in machine learning research. Training deep neural networks to learn such data-driven partial differential…

Reducing token count is crucial for efficient training and inference of latent diffusion models, especially at high resolution. A common strategy is to build high-compression image tokenizers with more channels per token. However, when…

Deep learning has gained significant attention in medical image segmentation. However, the limited availability of annotated training data presents a challenge to achieving accurate results. In efforts to overcome this challenge, data…

Simulating the time evolution of Partial Differential Equations (PDEs) of large-scale systems is crucial in many scientific and engineering domains such as fluid dynamics, weather forecasting and their inverse optimization problems.…

We present an algorithm to learn the relevant latent variables of a large-scale discretized physical system and predict its time evolution using thermodynamically-consistent deep neural networks. Our method relies on sparse autoencoders,…

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

Often the analysis of time-dependent chemical and biophysical systems produces high-dimensional time-series data for which it can be difficult to interpret which individual features are most salient. While recent work from our group and…

There are situations where data relevant to a machine learning problem are distributed among multiple locations that cannot share the data due to regulatory, competitiveness, or privacy reasons. For example, data present in users'…

Latent diffusion models with Transformer architectures excel at generating high-fidelity images. However, recent studies reveal an optimization dilemma in this two-stage design: while increasing the per-token feature dimension in visual…

Background: In medical imaging, images are usually treated as deterministic, while their uncertainties are largely underexplored. Purpose: This work aims at using deep learning to efficiently estimate posterior distributions of imaging…

The high cost of acquiring labels is one of the main challenges in deploying supervised machine learning algorithms. Active learning is a promising approach to control the learning process and address the difficulties of data labeling by…

In collider-based particle and nuclear physics experiments, data are produced at such extreme rates that only a subset can be recorded for later analysis. Typically, algorithms select individual collision events for preservation and store…