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We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…
Transfer learning where the behavior of extracting transferable knowledge from the source domain(s) and reusing this knowledge to target domain has become a research area of great interest in the field of artificial intelligence.…
Statistical analysis of social networks provides valuable insights into complex network interactions across various scientific disciplines. However, accurate modeling of networks remains challenging due to the heavy computational burden and…
We introduce two synthetic likelihood methods for Simulation-Based Inference (SBI), to conduct either amortized or targeted inference from experimental observations when a high-fidelity simulator is available. Both methods learn a…
Energy-Based Models (EBMs) are an important class of probabilistic models, also known as random fields and undirected graphical models. EBMs are un-normalized and thus radically different from other popular self-normalized probabilistic…
Modern physics simulation often involves multiple functions of interests, and traditional numerical approaches are known to be complex and computationally costly. While machine learning-based surrogate models can offer significant cost…
We challenge black-box purely deep neural approaches for molecules and graph generation, which are limited in controllability and lack formal guarantees. We introduce Neuro-Symbolic Graph Generative Modeling (NSGGM), a neurosymbolic…
Neural networks are a commonly used approach to replace physical models with computationally cheap surrogates. Parametric uncertainty quantification can be included in training, assuming that an accurate prior distribution of the model…
Electronic circuits are useful tools for studying potential dynamical behaviors of synthetic genetic networks. The circuit models are complementary to numerical simulations of the networks, especially providing a framework for verification…
The task of conditional generation is one of the most important applications of generative models, and numerous methods have been developed to date based on the celebrated flow-based models. However, many flow-based models in use today are…
Generative models have been successfully applied to image style transfer and domain translation. However, there is still a wide gap in the quality of results when learning such tasks on musical audio. Furthermore, most translation models…
Biological signals, such as electroencephalograms (EEGs) and electrocardiograms (ECGs), play a pivotal role in numerous clinical practices, such as diagnosing brain and cardiac arrhythmic diseases. Existing methods for biosignal…
Large language models (LLMs) are becoming an increasingly important component of human--computer interaction, enabling users to coordinate a wide range of intelligent agents through natural language. While language-based interfaces are…
We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…
Entities lie in the heart of biomedical natural language understanding, and the biomedical entity linking (EL) task remains challenging due to the fine-grained and diversiform concept names. Generative methods achieve remarkable…
Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…
Generating reasonable and high-quality human interactive motions in a given dynamic environment is crucial for understanding, modeling, transferring, and applying human behaviors to both virtual and physical robots. In this paper, we…
Imitation learning is a powerful approach for learning autonomous driving policy by leveraging data from expert driver demonstrations. However, driving policies trained via imitation learning that neglect the causal structure of expert…
Electromyography signals can be used as training data by machine learning models to classify various gestures. We seek to produce a model that can classify six different hand gestures with a limited number of samples that generalizes well…
Most EEG-based Brain-Computer Interfaces (BCIs) require a considerable amount of training data to calibrate the classification model, owing to the high variability in the EEG data, which manifests itself between participants, but also…