Models that rely solely on pairwise relationships often fail to capture the complete statistical structure of the complex multivariate data found in diverse domains, such as socio-economic, ecological, or biomedical systems. Non-trivial dependencies between groups of more than two variables can play a significant role in the analysis and modelling of such systems, yet extracting such high-order interactions from data remains challenging. Here, we introduce a hierarchy of d-order interaction measures, increasingly inclusive of possible factorisations of the joint probability distribution, and define non-parametric, kernel-based tests to establish systematically the statistical significance of d-order interactions. We also establish mathematical links with lattice theory, which elucidate the derivation of the interaction measures and their composite permutation tests; clarify the connection of simplicial complexes with kernel matrix centring; and provide a means to enhance computational efficiency. We illustrate our results numerically with validations on synthetic data, and through an application to neuroimaging data.

Our results heavily rely on the specific nature of the periodic activation function, so a natural question is to which extent our results can be extended beyond the single periodic neuron class. For lower bounds, a challenging but very interesting generalization would be to establish the cryptographic-hardness of learning certain family of GLMs whose activation function does not need to be periodic. A potentially easier route forward on this direction, would be to consider the Hermite decomposition of the activation function, similar to [A3], and establish lower bounds on the performance of low-degree methods [A23], of SGD [A3], or of local search methods methods [A15], for activation functions whose low-degree Hermite coefficients are exponentially small. For upper bounds, we believe that our proposed LLL-based algorithm may be extended beyond learning even periodic activation functions, such as the cosine activation, by appropriately post-processing the measurements, but leave this for future work. Furthermore, it would be interesting to better understand (empirically or analytically) the noise tolerance of our LLL-based algorithm for "low-frequency" activation functions, such as the absolute value underlying the phase retrieval problem which has "zero" frequency.

The proofs that earned EPFL professor Maryna Viazovska the Fields Medal in 2022 have reached a new milestone: their complete formalization by computer, achieved through a collaboration between mathematicians and artificial intelligence tools. In 2016, Maryna Viazovska solved the sphere packing problem in dimension 8, proving that the E lattice constitutes the densest possible arrangement. Shortly after, together with collaborators, she established an analogous result in dimension 24 using the Leech lattice. Her method provided an elegant solution to a problem studied for centuries, with close ties to applied fields such as error-correcting codes. For this major contribution, Viazovska was awarded the Fields Medal in 2022, the highest distinction in mathematics.

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials are typically much more structured than molecules, which is a feature that these models do not leverage. In this work, we introduce a class of models that are equivariant with respect to crystalline symmetry groups. We do this by defining a generalization of the message passing operations that can be used with more general permutation groups, or that can alternatively be seen as defining an expressive convolution operation on the crystal graph. Empirically, these models achieve competitive results with state-of-the-art on property prediction tasks.

For many machine learning problems, there are some inputs that are known to be positively (or negatively) related to the output, and in such cases training the model to respect that monotonic relationship can provide regularization, and makes the model more interpretable. However, flexible monotonic functions are computationally challenging to learn beyond a few features. We break through this barrier by learning ensembles of monotonic calibrated interpolated look-up tables (lattices). A key contribution is an automated algorithm for selecting feature subsets for the ensemble base models. We demonstrate that compared to random forests, these ensembles produce similar or better accuracy, while providing guaranteed monotonicity consistent with prior knowledge, smaller model size and faster evaluation.

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