Alessandro Salatiello

Guillermo Bernárdez, Lev Telyatnikov, Marco Montagna et al.

This paper describes the 2nd edition of the ICML Topological Deep Learning Challenge that was hosted within the ICML 2024 ELLIS Workshop on Geometry-grounded Representation Learning and Generative Modeling (GRaM). The challenge focused on the problem of representing data in different discrete topological domains in order to bridge the gap between Topological Deep Learning (TDL) and other types of structured datasets (e.g. point clouds, graphs). Specifically, participants were asked to design and implement topological liftings, i.e. mappings between different data structures and topological domains --like hypergraphs, or simplicial/cell/combinatorial complexes. The challenge received 52 submissions satisfying all the requirements. This paper introduces the main scope of the challenge, and summarizes the main results and findings.

Xiaoliang Luo, Akilles Rechardt, Guangzhi Sun et al.

Scientific discoveries often hinge on synthesizing decades of research, a task that potentially outstrips human information processing capacities. Large language models (LLMs) offer a solution. LLMs trained on the vast scientific literature could potentially integrate noisy yet interrelated findings to forecast novel results better than human experts. To evaluate this possibility, we created BrainBench, a forward-looking benchmark for predicting neuroscience results. We find that LLMs surpass experts in predicting experimental outcomes. BrainGPT, an LLM we tuned on the neuroscience literature, performed better yet. Like human experts, when LLMs were confident in their predictions, they were more likely to be correct, which presages a future where humans and LLMs team together to make discoveries. Our approach is not neuroscience-specific and is transferable to other knowledge-intensive endeavors.

Mustafa Hajij, Mathilde Papillon, Florian Frantzen et al.

We introduce TopoX, a Python software suite that provides reliable and user-friendly building blocks for computing and machine learning on topological domains that extend graphs: hypergraphs, simplicial, cellular, path and combinatorial complexes. TopoX consists of three packages: TopoNetX facilitates constructing and computing on these domains, including working with nodes, edges and higher-order cells; TopoEmbedX provides methods to embed topological domains into vector spaces, akin to popular graph-based embedding algorithms such as node2vec; TopoModelX is built on top of PyTorch and offers a comprehensive toolbox of higher-order message passing functions for neural networks on topological domains. The extensively documented and unit-tested source code of TopoX is available under MIT license at https://pyt-team.github.io/}{https://pyt-team.github.io/.

Alessandro Salatiello, Stefan Birr, Manuel Kunz

Coherently forecasting the behaviour of a target variable across both coarse and fine temporal scales is crucial for profit-optimized decision-making in several business applications, and remains an open research problem in temporal hierarchical forecasting. Here, we propose a new hierarchical architecture that tackles this problem by leveraging modules that specialize in forecasting the different temporal aggregation levels of interest. The architecture, which learns to encode the average behaviour of the target variable within its hidden layers, makes accurate and coherent forecasts across the target temporal hierarchies. We validate our architecture on the challenging, real-world M5 dataset and show that it outperforms established methods, such as the TSMixer model.

Alessandro Salatiello, Martin A. Giese

State-of-the-art motorized hand prostheses are endowed with actuators able to provide independent and proportional control of as many as six degrees of freedom (DOFs). The control signals are derived from residual electromyographic (EMG) activity, recorded concurrently from relevant forearm muscles. Nevertheless, the functional mapping between forearm EMG activity and hand kinematics is only known with limited accuracy. Therefore, no robust method exists for the reliable computation of control signals for the independent and proportional actuation of more than two DOFs. A common approach to deal with this limitation is to pre-program the prostheses for the execution of a restricted number of behaviors (e.g., pinching, grasping, and wrist rotation) that are activated by the detection of specific EMG activation patterns. However, this approach severely limits the range of activities users can perform with the prostheses during their daily living. In this work, we introduce a novel method, based on a long short-term memory (LSTM) network, to continuously map forearm EMG activity onto hand kinematics. Critically, unlike previous work, which often focuses on simple and highly controlled motor tasks, we tested our method on a dataset of activities of daily living (ADLs): the KIN-MUS UJI dataset. To the best of our knowledge, ours is the first reported work on the prediction of hand kinematics that uses this challenging dataset. Remarkably, we show that our network is able to generalize to novel untrained ADLs. Our results suggest that the presented method is suitable for the generation of control signals for the independent and proportional actuation of the multiple DOFs of state-of-the-art hand prostheses.

Alessandro Salatiello, Martin A. Giese

Recurrent Neural Networks (RNNs) are popular models of brain function. The typical training strategy is to adjust their input-output behavior so that it matches that of the biological circuit of interest. Even though this strategy ensures that the biological and artificial networks perform the same computational task, it does not guarantee that their internal activity dynamics match. This suggests that the trained RNNs might end up performing the task employing a different internal computational mechanism, which would make them a suboptimal model of the biological circuit. In this work, we introduce a novel training strategy that allows learning not only the input-output behavior of an RNN but also its internal network dynamics, based on sparse neural recordings. We test the proposed method by training an RNN to simultaneously reproduce internal dynamics and output signals of a physiologically-inspired neural model. Specifically, this model generates the multiphasic muscle-like activity patterns typically observed during the execution of reaching movements, based on the oscillatory activation patterns concurrently observed in the motor cortex. Remarkably, we show that the reproduction of the internal dynamics is successful even when the training algorithm relies on the activities of a small subset of neurons sampled from the biological network. Furthermore, we show that training the RNNs with this method significantly improves their generalization performance. Overall, our results suggest that the proposed method is suitable for building powerful functional RNN models, which automatically capture important computational properties of the biological circuit of interest from sparse neural recordings.