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Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Human activity intensity prediction is crucial to many location-based services. Despite tremendous progress in modeling dynamics of human activity, most existing methods overlook physical constraints of spatial interaction, leading to…

We introduce a multi-agent meta-modeling game to generate data, knowledge, and models that make predictions on constitutive responses of elasto-plastic materials. We introduce a new concept from graph theory where a modeler agent is tasked…

Simulation is a useful tool in situations where training data for machine learning models is costly to annotate or even hard to acquire. In this work, we propose a reinforcement learning-based method for automatically adjusting the…

Transformer encoder-decoder models have achieved great performance in dialogue generation tasks, however, their inability to process long dialogue history often leads to truncation of the context To address this problem, we propose a novel…

We present ReFormer, a generative AI (GAI) model that can efficiently generate synthetic radio-frequency (RF) data, or RF fakes, statistically similar to the data it was trained on, or with modified statistics, in order to augment datasets…

Recent advancements in computational chemistry have leveraged the power of trans-former-based language models, such as MoLFormer, pre-trained using a vast amount of simplified molecular-input line-entry system (SMILES) sequences, to…

Palpation, the use of touch in medical examination, is almost exclusively performed by humans. We investigate a proof of concept for an artificial palpation method based on self-supervised learning. Our key idea is that an encoder-decoder…

We reveal that transformers trained in an autoregressive manner naturally encode time-delayed causal structures in their learned representations. When predicting future values in multivariate time series, the gradient sensitivities of…

In the era of 6G, with compelling visions of intelligent transportation systems and digital twins, remote surveillance is poised to become a ubiquitous practice. Substantial data volume and frequent updates present challenges in wireless…

Reinforcement learning has emerged as a promising methodology for training robot controllers. However, most results have been limited to simulation due to the need for a large number of samples and the lack of automated-yet-safe data…

Recent AI-based 3D content creation has largely evolved along two paths: feed-forward image-to-3D reconstruction approaches and 3D generative models trained with 2D or 3D supervision. In this work, we show that existing feed-forward…

This dissertation attempts to drive innovation in the field of generative modeling for computer vision, by exploring novel formulations of conditional generative models, and innovative applications in images, 3D animations, and video. Our…

Adaptable models could greatly benefit robotic agents operating in the real world, allowing them to deal with novel and varying conditions. While approaches such as Bayesian inference are well-studied frameworks for adapting models to…

Neurons encode information in a binary manner and process complex signals. However, predicting or generating diverse neural activity patterns remains challenging. In vitro and in vivo studies provide distinct advantages, yet no robust…

The human mind effortlessly simulates the movements of objects governed by the laws of physics, such as a fluttering, or a waving flag under wind force, without understanding the underlying physics. This suggests that human cognition can…

In many machine learning tasks, learning a good representation of the data can be the key to building a well-performant solution. This is because most learning algorithms operate with the features in order to find models for the data. For…

Deep generative models have gained significant advancements to accelerate drug discovery by generating bioactive chemicals against desired targets. Nevertheless, most generated compounds that have been validated for potent bioactivity often…

We propose a novel Transformer-based architecture for the task of generative modelling of 3D human motion. Previous work commonly relies on RNN-based models considering shorter forecast horizons reaching a stationary and often implausible…

Achieving both high speed and precision in robot operations is a significant challenge for social implementation. While factory robots excel at predefined tasks, they struggle with environment-specific actions like cleaning and cooking.…