Philipp Thölke

Wenhui Cui, Woojae Jeong, Philipp Thölke et al.

To handle the scarcity and heterogeneity of electroencephalography (EEG) data for Brain-Computer Interface (BCI) tasks, and to harness the power of large publicly available data sets, we propose Neuro-GPT, a foundation model consisting of an EEG encoder and a GPT model. The foundation model is pre-trained on a large-scale data set using a self-supervised task that learns how to reconstruct masked EEG segments. We then fine-tune the model on a Motor Imagery Classification task to validate its performance in a low-data regime (9 subjects). Our experiments demonstrate that applying a foundation model can significantly improve classification performance compared to a model trained from scratch, which provides evidence for the generalizability of the foundation model and its ability to address challenges of data scarcity and heterogeneity in EEG. The code is publicly available at github.com/wenhui0206/NeuroGPT.

Raul P. Pelaez, Guillem Simeon, Raimondas Galvelis et al.

Achieving a balance between computational speed, prediction accuracy, and universal applicability in molecular simulations has been a persistent challenge. This paper presents substantial advancements in the TorchMD-Net software, a pivotal step forward in the shift from conventional force fields to neural network-based potentials. The evolution of TorchMD-Net into a more comprehensive and versatile framework is highlighted, incorporating cutting-edge architectures such as TensorNet. This transformation is achieved through a modular design approach, encouraging customized applications within the scientific community. The most notable enhancement is a significant improvement in computational efficiency, achieving a very remarkable acceleration in the computation of energy and forces for TensorNet models, with performance gains ranging from 2-fold to 10-fold over previous iterations. Other enhancements include highly optimized neighbor search algorithms that support periodic boundary conditions and the smooth integration with existing molecular dynamics frameworks. Additionally, the updated version introduces the capability to integrate physical priors, further enriching its application spectrum and utility in research. The software is available at https://github.com/torchmd/torchmd-net.

Antoine Bellemare-Pepin, François Lespinasse, Philipp Thölke et al. · mila, utoronto

The recent surge of Large Language Models (LLMs) has led to claims that they are approaching a level of creativity akin to human capabilities. This idea has sparked a blend of excitement and apprehension. However, a critical piece that has been missing in this discourse is a systematic evaluation of LLMs' semantic diversity, particularly in comparison to human divergent thinking. To bridge this gap, we leverage recent advances in computational creativity to analyze semantic divergence in both state-of-the-art LLMs and a substantial dataset of 100,000 humans. We found evidence that LLMs can surpass average human performance on the Divergent Association Task, and approach human creative writing abilities, though they fall short of the typical performance of highly creative humans. Notably, even the top performing LLMs are still largely surpassed by highly creative individuals, underscoring a ceiling that current LLMs still fail to surpass. Our human-machine benchmarking framework addresses the polemic surrounding the imminent replacement of human creative labour by AI, disentangling the quality of the respective creative linguistic outputs using established objective measures. While prompting deeper exploration of the distinctive elements of human inventive thought compared to those of AI systems, we lay out a series of techniques to improve their outputs with respect to semantic diversity, such as prompt design and hyper-parameter tuning.