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Tremendous neuroscientific progress has recently been made by mapping brain connectivity, complementing extensive knowledge of task-evoked brain activation patterns. However, despite evidence that they are related, these connectivity and activity lines of research have mostly progressed separately. Here I review the notable productivity and future promise of combining connectivity and task-evoked activity estimates into activity flow models. These data-driven computational models simulate the generation of task-evoked activations (including those linked to behavior), producing empirically-supported explanations of the origin of neurocognitive functions based on the flow of task-evoked activity over empirical brain connections. Critically, by incorporating causal principles and extensive empirical constraints from brain data, this approach can provide more mechanistic accounts of neurocognitive phenomena than purely predictive (as opposed to explanatory) models or models optimized primarily for task performance (e.g., standard artificial neural networks). The variety of activity-flow-based explanations reported so far are covered here along with important methodological and theoretical considerations when discovering new activity-flow-based explanations. Together, these considerations illustrate the promise of activity flow modeling for the future of neuroscience and ultimately for the development of novel clinical treatments (e.g., using brain stimulation) for brain disorders.

Humans have a remarkable ability to rapidly generalize to new tasks that is difficult to reproduce in artificial learning systems. Compositionality has been proposed as a key mechanism supporting generalization in humans, but evidence of its neural implementation and impact on behavior is still scarce. Here we study the computational properties associated with compositional generalization in both humans and artificial neural networks (ANNs) on a highly compositional task. First, we identified behavioral signatures of compositional generalization in humans, along with their neural correlates using whole-cortex functional magnetic resonance imaging (fMRI) data. Next, we designed pretraining paradigms aided by a procedure we term {\em primitives pretraining} to endow compositional task elements into ANNs. We found that ANNs with this prior knowledge had greater correspondence with human behavior and neural compositional signatures. Importantly, primitives pretraining induced abstract internal representations, excellent zero-shot generalization, and sample-efficient learning. Moreover, it gave rise to a hierarchy of abstract representations that matched human fMRI data, where sensory rule abstractions emerged in early sensory areas, and motor rule abstractions emerged in later motor areas. Our findings give empirical support to the role of compositional generalization in human behavior, implicate abstract representations as its neural implementation, and illustrate that these representations can be embedded into ANNs by designing simple and efficient pretraining procedures., Comment: NeurIPS 2022. 24 pages (10 pages main text), 17 figures (8 main text figures)

System identification poses a significant bottleneck to characterizing and controlling complex systems. This challenge is greatest when both the system states and parameters are not directly accessible leading to a dual-estimation problem. Current approaches to such problems are limited in their ability to scale with many-parameter systems as often occurs in networks. In the current work, we present a new, computationally efficient approach to treat large dual-estimation problems. Our approach consists of directly integrating pseudo-optimal state estimation (the Extended Kalman Filter) into a dual-optimization objective, leaving a differentiable cost/error function of only in terms of the unknown system parameters which we solve using numerical gradient/Hessian methods. Intuitively, our approach consists of solving for the parameters that generate the most accurate state estimator (Extended Kalman Filter). We demonstrate that our approach is at least as accurate in state and parameter estimation as joint Kalman Filters (Extended/Unscented), despite lower complexity. We demonstrate the utility of our approach by inverting anatomically-detailed individualized brain models from human magnetoencephalography (MEG) data., Comment: Conference

Understanding neurocognitive computations will require not just localizing cognitive information distributed throughout the brain but also determining how that information got there. We review recent advances in linking empirical and simulated brain network organization with cognitive information processing. Building on these advances, we offer a new framework for understanding the role of connectivity in cognition - network coding (encoding/decoding) models. These models utilize connectivity to specify the transfer of information via neural activity flow processes, successfully predicting the formation of cognitive representations in empirical neural data. The success of these models supports the possibility that localized neural functions mechanistically emerge (are computed) from distributed activity flow processes that are specified primarily by connectivity patterns.

Learning a similarity metric has gained much attention recently, where the goal is to learn a function that maps input patterns to a target space while preserving the semantic distance in the input space. While most related work focused on images, we focus instead on learning a similarity metric for neuroimages, such as fMRI and DTI images. We propose an end-to-end similarity learning framework called Higher-order Siamese GCN for multi-subject fMRI data analysis. The proposed framework learns the brain network representations via a supervised metric-based approach with siamese neural networks using two graph convolutional networks as the twin networks. Our proposed framework performs higher-order convolutions by incorporating higher-order proximity in graph convolutional networks to characterize and learn the community structure in brain connectivity networks. To the best of our knowledge, this is the first community-preserving similarity learning framework for multi-subject brain network analysis. Experimental results on four real fMRI datasets demonstrate the potential use cases of the proposed framework for multi-subject brain analysis in health and neuropsychiatric disorders. Our proposed approach achieves an average AUC gain of 75% compared to PCA, an average AUC gain of 65.5% compared to Spectral Embedding, and an average AUC gain of 24.3% compared to S-GCN across the four datasets, indicating promising application in clinical investigation and brain disease diagnosis.