A Conversational Brain-Artificial Intelligence Interface

We introduce Brain-Artificial Intelligence Interfaces (BAIs) as a new class of Brain-Computer Interfaces (BCIs). Unlike conventional BCIs, which rely on intact cognitive capabilities, BAIs leverage the power of artificial intelligence to replace parts of the neuro-cognitive processing pipeline. BAIs allow users to accomplish complex tasks by providing high-level intentions, while a pre-trained AI agent determines low-level details. This approach enlarges the target audience of BCIs to individuals with cognitive impairments, a population often excluded from the benefits of conventional BCIs. We present the general concept of BAIs and illustrate the potential of this new approach with a Conversational BAI based on EEG. In particular, we show in an experiment with simulated phone conversations that the Conversational BAI enables complex communication without the need to generate language. Our work thus demonstrates, for the first time, the ability of a speech neuroprosthesis to enable fluent communication in realistic scenarios with non-invasive technologies.

High throughput screening with machine learning

This study assesses the efficiency of several popular machine learning approaches in the prediction of molecular binding affinity: CatBoost, Graph Attention Neural Network, and Bidirectional Encoder Representations from Transformers. The models were trained to predict binding affinities in terms of inhibition constants $K_i$ for pairs of proteins and small organic molecules. First two approaches use thoroughly selected physico-chemical features, while the third one is based on textual molecular representations - it is one of the first attempts to apply Transformer-based predictors for the binding affinity. We also discuss the visualization of attention layers within the Transformer approach in order to highlight the molecular sites responsible for interactions. All approaches are free from atomic spatial coordinates thus avoiding bias from known structures and being able to generalize for compounds with unknown conformations. The achieved accuracy for all suggested approaches prove their potential in high throughput screening.