An EEG Dataset of Neural Signatures in a Competitive Two-Player Game Encouraging Deceptive Behavior.

Studying deception is vital for understanding decision-making and social dynamics. Recent EEG research has deepened insights into the brain mechanisms behind deception. Standard methods in this field often rely on memory, are vulnerable to countermeasures, yield false positives, and lack real-world relevance. Here, we present a comprehensive dataset from an EEG-monitored competitive, two-player card game designed to elicit authentic deception behavior. Our extensive dataset contains EEG data from 12 pairs (N = 24 participants with role switching), controlled for age, gender, and risk-taking, with detailed labels and annotations. The dataset combines standard event-related potential and microstate analyses with state-of-the-art decoding approaches of four scenarios: spontaneous/instructed truth-telling and lying. This demonstrates game-based methods' efficacy in studying deception and sets a benchmark for future research. Overall, our dataset represents a unique resource with applications in cognitive neuroscience and related fields for studying deception, competitive behavior, decision-making, inter-brain synchrony, and benchmarking of decoding frameworks in a difficult, high-level cognitive task.

Dataset for Automatic Region-based Coronary Artery Disease Diagnostics Using X-Ray Angiography Images.

X-ray coronary angiography is the most common tool for the diagnosis and treatment of coronary artery disease. It involves the injection of contrast agents into coronary vessels using a catheter to highlight the coronary vessel structure. Typically, multiple 2D X-ray projections are recorded from different angles to improve visualization. Recent advances in the development of deep-learning-based tools promise significant improvement in diagnosing and treating coronary artery disease. However, the limited public availability of annotated X-ray coronary angiography image datasets presents a challenge for objective assessment and comparison of existing tools and the development of novel methods. To address this challenge, we introduce a novel ARCADE dataset with 2 objectives: coronary vessel classification and stenosis detection. Each objective contains 1500 expert-labeled X-ray coronary angiography images representing: i) coronary artery segments; and ii) the locations of stenotic plaques. These datasets will serve as a benchmark for developing new methods and assessing existing approaches for the automated diagnosis and risk assessment of coronary artery disease.

Spatio-Spectral Feature Representation for Motor Imagery Classification Using Convolutional Neural Networks.

Convolutional neural networks (CNNs) have recently been applied to electroencephalogram (EEG)-based brain-computer interfaces (BCIs). EEG is a noninvasive neuroimaging technique, which can be used to decode user intentions. Because the feature space of EEG data is highly dimensional and signal patterns are specific to the subject, appropriate methods for feature representation are required to enhance the decoding accuracy of the CNN model. Furthermore, neural changes exhibit high variability between sessions, subjects within a single session, and trials within a single subject, resulting in major issues during the modeling stage. In addition, there are many subject-dependent factors, such as frequency ranges, time intervals, and spatial locations at which the signal occurs, which prevent the derivation of a robust model that can achieve the parameterization of these factors for a wide range of subjects. However, previous studies did not attempt to preserve the multivariate structure and dependencies of the feature space. In this study, we propose a method to generate a spatiospectral feature representation that can preserve the multivariate information of EEG data. Specifically, 3-D feature maps were constructed by combining subject-optimized and subject-independent spectral filters and by stacking the filtered data into tensors. In addition, a layer-wise decomposition model was implemented using our 3-D-CNN framework to secure reliable classification results on a single-trial basis. The average accuracies of the proposed model were 87.15% (±7.31), 75.85% (±12.80), and 70.37% (±17.09) for the BCI competition data sets IV_2a, IV_2b, and OpenBMI data, respectively. These results are better than those obtained by state-of-the-art techniques, and the decomposition model obtained the relevance scores for neurophysiologically plausible electrode channels and frequency domains, confirming the validity of the proposed approach.

Transmol: repurposing a language model for molecular generation.

Recent advances in convolutional neural networks have inspired the application of deep learning to other disciplines. Even though image processing and natural language processing have turned out to be the most successful, there are many other domains that have also benefited; among them, life sciences in general and chemistry and drug design in particular. In concordance with this observation, from 2018 the scientific community has seen a surge of methodologies related to the generation of diverse molecular libraries using machine learning. However to date, attention mechanisms have not been employed for the problem of de novo molecular generation. Here we employ a variant of transformers, an architecture recently developed for natural language processing, for this purpose. Our results indicate that the adapted Transmol model is indeed applicable for the task of generating molecular libraries and leads to statistically significant increases in some of the core metrics of the MOSES benchmark. The presented model can be tuned to either input-guided or diversity-driven generation modes by applying a standard one-seed and a novel two-seed approach, respectively. Accordingly, the one-seed approach is best suited for the targeted generation of focused libraries composed of close analogues of the seed structure, while the two-seeds approach allows us to dive deeper into under-explored regions of the chemical space by attempting to generate the molecules that resemble both seeds. To gain more insights about the scope of the one-seed approach, we devised a new validation workflow that involves the recreation of known ligands for an important biological target vitamin D receptor. To further benefit the chemical community, the Transmol algorithm has been incorporated into our cheML.io web database of ML-generated molecules as a second generation on-demand methodology.

Inter-subject correlations during natural viewing: A filter-bank approach.

A central question in neuroscience is how the brain processes real-world sensory input. For decades most classical studies focus on carefully controlled artificial stimuli. More recently researchers started to investigate brain activity under more realistic conditions. The main challenge in this setting is the analysis of the complex signals obtained with modern neuroimaging methods in response to natural stimuli. Inter-subject correlations (ISCs) have become a popular paradigm to study brain activation under natural stimulation. The underlying assumption of this analysis is that features of natural stimuli that are perceived and processed by all subjects exposed to the same stimulus result in similar activation patterns across subjects. Higher degrees of realism in stimulation, for instance audiovisual stimulation is more realistic than auditory stimulation, is usually associated with higher ISC values. We can confirm these findings in experiments in which we present a movie stimulus with varying degrees of realism. Extending previous findings we highlight the importance of artifact removal when evaluating ISCs and show that the impact of realism in natural stimulation on ISCs is frequency-dependent. A major challenge associated with this type of analysis is that it can be difficult to attribute the correlation strength to the physiological process of interest. In this study, we demonstrate that ISCs of neural activation as measured by electroencephalogram (EEG) recordings are influenced significantly by non-neural artifacts such as occulograms. Our findings highlight the potential of inter-subject correlations as a biomarker for immersion: If more realistic stimuli consistently lead to higher inter-subject correlations, then inter-subject correlations can serve as a quantitative marker for how engaging audiovisual stimuli are perceived.Clinical relevance- Future research will evaluate if correlation levels among subjects, who are exposed to natural stimuli are affected by neurological diseases such as Alzheimers, Parkinsons, and Schizophrenia among others.

EEG-Based Prediction of Successful Memory Formation During Vocabulary Learning.

Previous Electroencephalography (EEG) and neuroimaging studies have found differences between brain signals for subsequently remembered and forgotten items during learning of items - it has even been shown that single trial prediction of memorization success is possible with a few target items. There has been little attempt, however, in validating the findings in an application-oriented context involving longer test spans with realistic learning materials encompassing more items. Hence, the present study investigates subsequent memory prediction within the application context of foreign-vocabulary learning. We employed an off-line, EEG-based paradigm in which Korean participants without prior German language experience learned 900 German words in paired-associate form. Our results using convolutional neural networks optimized for EEG-signal analysis show that above-chance classification is possible in this context allowing us to predict during learning which of the words would be successfully remembered later.

cheML.io: an online database of ML-generated molecules.

Several recent ML algorithms for de novo molecule generation have been utilized to create an open-access database of virtual molecules. The algorithms were trained on samples from ZINC, a free database of commercially available compounds. Generated molecules, stemming from 10 different ML frameworks, along with their calculated properties were merged into a database and coupled to a web interface, which allows users to browse the data in a user friendly and convenient manner. ML-generated molecules with desired structures and properties can be retrieved with the help of a drawing widget. For the case of a specific search leading to insufficient results, users are able to create new molecules on demand. These newly created molecules will be added to the existing database and as a result, the content as well as the diversity of the database keeps growing in line with the user's requirements.

Robust detection of event-related potentials in a user-voluntary short-term imagery task.

Event-related potentials (ERPs) represent neuronal activity in the brain elicited by external visual or auditory stimulation and are widely used in brain-computer interface (BCI) systems. The ERP responses are elicited a few milliseconds after attending to an oddball stimulus; target and non-target stimuli are repeatedly flashed, and the ERP trials are averaged over time in order to improve their decoding accuracy. To reduce this time-consuming process, previous studies have attempted to evoke stronger ERP responses by changing certain experimental parameters like color, size, or the use of a face image as a target symbol. Since these exogenous potentials can be naturally evoked by merely looking at a target symbol, the BCI system could generate unintended commands while subjects are gazing at one of the symbols in a non-intentional mental state. We approached this problem of unintended command generation by assuming that a greater effort by the user in a short-term imagery task would evoke a discriminative ERP response. Three tasks were defined: passive attention, counting, and pitch-imagery. Users were instructed to passively attend to a target symbol, or to perform a mental tally of the number of target presentations, or to perform the novel task of imagining a high-pitch tone when the target symbol was highlighted. The decoding accuracy were 71.4%, 83.5%, and 89.2% for passive attention, counting, and pitch-imagery, respectively, after the fourth averaging procedure. We found stronger deflections in the N500 component corresponding to the levels of mental effort (passive attention: -1.094 ±0.88 µV, counting: -2.226 ±0.97 µV, and pitch-imagery: -2.883 ±0.74 µV), which highly influenced the decoding accuracy. In addition, the rate of binary classification between passive attention and pitch-imagery tasks was 73.5%, which is an adequate classification rate that motivated us to propose a two-stage classification strategy wherein the target symbols are estimated in the first stage and the passive or active mental state is decoded in the second stage. In this study, we found that the ERP response and the decoding accuracy are highly influenced by the user's voluntary mental tasks. This could lead to a useful approach in practical ERP systems in two respects. Firstly, the user-voluntary tasks can be easily utilized in many different types of BCI systems, and performance enhancement is less dependent on the manipulation of the system's external, visual stimulus parameters. Secondly, we propose an ERP system that classifies the brain state as intended or unintended by considering the measurable differences between passively gazing and actively performing the pitch-imagery tasks in the EEG signal thus minimizing unintended commands to the BCI system.

EEG dataset and OpenBMI toolbox for three BCI paradigms: an investigation into BCI illiteracy.

BACKGROUND: Electroencephalography (EEG)-based brain-computer interface (BCI) systems are mainly divided into three major paradigms: motor imagery (MI), event-related potential (ERP), and steady-state visually evoked potential (SSVEP). Here, we present a BCI dataset that includes the three major BCI paradigms with a large number of subjects over multiple sessions. In addition, information about the psychological and physiological conditions of BCI users was obtained using a questionnaire, and task-unrelated parameters such as resting state, artifacts, and electromyography of both arms were also recorded. We evaluated the decoding accuracies for the individual paradigms and determined performance variations across both subjects and sessions. Furthermore, we looked for more general, severe cases of BCI illiteracy than have been previously reported in the literature. RESULTS: Average decoding accuracies across all subjects and sessions were 71.1% (± 0.15), 96.7% (± 0.05), and 95.1% (± 0.09), and rates of BCI illiteracy were 53.7%, 11.1%, and 10.2% for MI, ERP, and SSVEP, respectively. Compared to the ERP and SSVEP paradigms, the MI paradigm exhibited large performance variations between both subjects and sessions. Furthermore, we found that 27.8% (15 out of 54) of users were universally BCI literate, i.e., they were able to proficiently perform all three paradigms. Interestingly, we found no universally illiterate BCI user, i.e., all participants were able to control at least one type of BCI system. CONCLUSIONS: Our EEG dataset can be utilized for a wide range of BCI-related research questions. All methods for the data analysis in this study are supported with fully open-source scripts that can aid in every step of BCI technology. Furthermore, our results support previous but disjointed findings on the phenomenon of BCI illiteracy.

A High Performance Spelling System based on EEG-EOG Signals With Visual Feedback.

In this paper, we propose a highly accurate and fast spelling system that employs multi-modal electroencephalography-electrooculography (EEG-EOG) signals and visual feedback technology. Over the last 20 years, various types of speller systems have been developed in brain-computer interface and EOG/eye-tracking research; however, these conventional systems have a tradeoff between the spelling accuracy (or decoding) and typing speed. Healthy users and physically challenged participants, in particular, may become exhausted quickly; thus, there is a need for a speller system with fast typing speed while retaining a high level of spelling accuracy. In this paper, we propose the first hybrid speller system that combines EEG and EOG signals with visual feedback technology so that the user and the speller system can act cooperatively for optimal decision-making. The proposed spelling system consists of a classic row-column event-related potential (ERP) speller, an EOG command detector, and visual feedback modules. First, the online ERP speller calculates classification probabilities for all candidate characters from the EEG epochs. Second, characters are sorted by their probability, and the characters with the highest probabilities are highlighted as visual feedback within the row-column spelling layout. Finally, the user can actively select the character as the target by generating an EOG command. The proposed system shows 97.6% spelling accuracy and an information transfer rate of 39.6 (±13.2) [bits/min] across 20 participants. In our extended experiment, we redesigned the visual feedback and minimized the number of channels (four channels) in order to enhance the speller performance and increase usability. Most importantly, a new weighted strategy resulted in 100% accuracy and a 57.8 (±23.6) [bits/min] information transfer rate across six participants. This paper demonstrates that the proposed system can provide a reliable communication channel for practical speller applications and may be used to supplement existing systems.

An efficient ERP-based brain-computer interface using random set presentation and face familiarity.

Event-related potential (ERP)-based P300 spellers are commonly used in the field of brain-computer interfaces as an alternative channel of communication for people with severe neuro-muscular diseases. This study introduces a novel P300 based brain-computer interface (BCI) stimulus paradigm using a random set presentation pattern and exploiting the effects of face familiarity. The effect of face familiarity is widely studied in the cognitive neurosciences and has recently been addressed for the purpose of BCI. In this study we compare P300-based BCI performances of a conventional row-column (RC)-based paradigm with our approach that combines a random set presentation paradigm with (non-) self-face stimuli. Our experimental results indicate stronger deflections of the ERPs in response to face stimuli, which are further enhanced when using the self-face images, and thereby improving P300-based spelling performance. This lead to a significant reduction of stimulus sequences required for correct character classification. These findings demonstrate a promising new approach for improving the speed and thus fluency of BCI-enhanced communication with the widely used P300-based BCI setup.

Predicting BCI subject performance using probabilistic spatio-temporal filters.

Recently, spatio-temporal filtering to enhance decoding for Brain-Computer-Interfacing (BCI) has become increasingly popular. In this work, we discuss a novel, fully Bayesian-and thereby probabilistic-framework, called Bayesian Spatio-Spectral Filter Optimization (BSSFO) and apply it to a large data set of 80 non-invasive EEG-based BCI experiments. Across the full frequency range, the BSSFO framework allows to analyze which spatio-spectral parameters are common and which ones differ across the subject population. As expected, large variability of brain rhythms is observed between subjects. We have clustered subjects according to similarities in their corresponding spectral characteristics from the BSSFO model, which is found to reflect their BCI performances well. In BCI, a considerable percentage of subjects is unable to use a BCI for communication, due to their missing ability to modulate their brain rhythms-a phenomenon sometimes denoted as BCI-illiteracy or inability. Predicting individual subjects' performance preceding the actual, time-consuming BCI-experiment enhances the usage of BCIs, e.g., by detecting users with BCI inability. This work additionally contributes by using the novel BSSFO method to predict the BCI-performance using only 2 minutes and 3 channels of resting-state EEG data recorded before the actual BCI-experiment. Specifically, by grouping the individual frequency characteristics we have nicely classified them into the subject 'prototypes' (like µ - or ß -rhythm type subjects) or users without ability to communicate with a BCI, and then by further building a linear regression model based on the grouping we could predict subjects' performance with the maximum correlation coefficient of 0.581 with the performance later seen in the actual BCI session.

Towards an enhanced ERP speller based on the visual processing of face familiarity.

In this study, a novel P300 based brain-computer interface (BCI) system using random set presentation pattern and employing the effect of face familiarity has been proposed and developed. While the effect of face familiarity is widely studied in the cognitive neurosciences, it has so far not been addressed for the purpose of BCI. We compare P300-based BCI performances of a conventional row-column (RC)-based paradigm with our novel approach. Our experimental results indicate stronger deflections of the ERPs in response to face stimuli and thereby improving P300-based spelling performance. This leads to a significant reduction of stimulus sequences required for correct character classification. These findings demonstrate a promising new approach for improving the speed and thus fluency of BCI-enhanced communication with the widely used P300-based BCI setup.

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

The accurate and reliable prediction of properties of molecules typically requires computationally intensive quantum-chemical calculations. Recently, machine learning techniques applied to ab initio calculations have been proposed as an efficient approach for describing the energies of molecules in their given ground-state structure throughout chemical compound space (Rupp et al. Phys. Rev. Lett. 2012, 108, 058301). In this paper we outline a number of established machine learning techniques and investigate the influence of the molecular representation on the methods performance. The best methods achieve prediction errors of 3 kcal/mol for the atomization energies of a wide variety of molecules. Rationales for this performance improvement are given together with pitfalls and challenges when applying machine learning approaches to the prediction of quantum-mechanical observables.

Using NIRS as a predictor for EEG-based BCI performance.

Multimodal recordings of EEG and NIRS of 14 subjects are analyzed in the context of sensory-motor based Brain Computer Interface (BCI). Our findings indicate that performance fluctuations of EEG-based BCI control can be predicted by preceding Near-Infrared Spectroscopy (NIRS) activity. These NIRS-based predictions are then employed to generate new, more robust EEG-based BCI classifiers, which enhance classification significantly, while at the same time minimize performance fluctuations and thus increase the general stability of BCI performance.

Enhanced performance by a hybrid NIRS-EEG brain computer interface.

Noninvasive Brain Computer Interfaces (BCI) have been promoted to be used for neuroprosthetics. However, reports on applications with electroencephalography (EEG) show a demand for a better accuracy and stability. Here we investigate whether near-infrared spectroscopy (NIRS) can be used to enhance the EEG approach. In our study both methods were applied simultaneously in a real-time Sensory Motor Rhythm (SMR)-based BCI paradigm, involving executed movements as well as motor imagery. We tested how the classification of NIRS data can complement ongoing real-time EEG classification. Our results show that simultaneous measurements of NIRS and EEG can significantly improve the classification accuracy of motor imagery in over 90% of considered subjects and increases performance by 5% on average (p<0:01). However, the long time delay of the hemodynamic response may hinder an overall increase of bit-rates. Furthermore we find that EEG and NIRS complement each other in terms of information content and are thus a viable multimodal imaging technique, suitable for BCI.

ℓ(1)-penalized linear mixed-effects models for high dimensional data with application to BCI.

Recently, a novel statistical model has been proposed to estimate population effects and individual variability between subgroups simultaneously, by extending Lasso methods. We will for the first time apply this so-called ℓ(1)-penalized linear regression mixed-effects model for a large scale real world problem: we study a large set of brain computer interface data and through the novel estimator are able to obtain a subject-independent classifier that compares favorably with prior zero-training algorithms. This unifying model inherently compensates shifts in the input space attributed to the individuality of a subject. In particular we are now for the first time able to differentiate within-subject and between-subject variability. Thus a deeper understanding both of the underlying statistical and physiological structures of the data is gained.

Bristle-sensors--low-cost flexible passive dry EEG electrodes for neurofeedback and BCI applications.

In this paper, we present a new, low-cost dry electrode for EEG that is made of flexible metal-coated polymer bristles. We examine various standard EEG paradigms, such as capturing occipital alpha rhythms, testing for event-related potentials in an auditory oddball paradigm and performing a sensory motor rhythm-based event-related (de-) synchronization paradigm to validate the performance of the novel electrodes in terms of signal quality. Our findings suggest that the dry electrodes that we developed result in high-quality EEG recordings and are thus suitable for a wide range of EEG studies and BCI applications. Furthermore, due to the flexibility of the novel electrodes, greater comfort is achieved in some subjects, this being essential for long-term use.

The Berlin Brain-Computer Interface: Non-Medical Uses of BCI Technology.

Brain-computer interfacing (BCI) is a steadily growing area of research. While initially BCI research was focused on applications for paralyzed patients, increasingly more alternative applications in healthy human subjects are proposed and investigated. In particular, monitoring of mental states and decoding of covert user states have seen a strong rise of interest. Here, we present some examples of such novel applications which provide evidence for the promising potential of BCI technology for non-medical uses. Furthermore, we discuss distinct methodological improvements required to bring non-medical applications of BCI technology to a diversity of layperson target groups, e.g., ease of use, minimal training, general usability, short control latencies.

Subject-independent mental state classification in single trials.

Current state-of-the-art in Brain Computer Interfacing (BCI) involves tuning classifiers to subject-specific training data acquired from calibration sessions prior to functional BCI use. Using a large database of EEG recordings from 45 subjects, who took part in movement imagination task experiments, we construct an ensemble of classifiers derived from subject-specific temporal and spatial filters. The ensemble is then sparsified using quadratic regression with l(1) regularization such that the final classifier generalizes reliably to data of subjects not included in the ensemble. Our offline results indicate that BCI-naïve users could start real-time BCI use without any prior calibration at only very limited loss of performance.