Zied Bouraoui

Jed A. Duersch, Elohan Veillon, Astrid Klipfel et al.

The discovery of new crystalline materials calls for generative models that handle periodic boundary conditions, crystallographic symmetries, and physical constraints, while scaling to large and structurally diverse unit cells. We propose a reciprocal-space generative pipeline that represents crystals through a truncated Fourier transform of the species-resolved unit-cell density, rather than modeling atomic coordinates directly. This representation is periodicity-native, admits simple algebraic actions of space-group symmetries, and naturally supports variable atomic multiplicities during generation, addressing a common limitation of particle-based approaches. Using only nine Fourier basis functions per spatial dimension, our approach reconstructs unit cells containing up to 108 atoms per chemical species. We instantiate this pipeline with a transformer variational autoencoder over complex-valued Fourier coefficients, and a latent diffusion model that generates in the compressed latent space. We evaluate reconstruction and latent diffusion on the LeMaterial benchmark and compare unconditional generation against coordinate-based baselines in the small-cell regime ($\leq 16$ atoms per unit cell).

Naïm Es-sebbani, Esteban Marquer, Yakoub Salhi et al.

Logic provides a controlled testbed for evaluating LLM-based reasoners, yet standard SAT-style benchmarks often conflate surface difficulty (length, wording, clause order) with the structural phenomena that actually determine satisfiability. We introduce a diagnostic benchmark for 2-SAT built from parameterized families of structured 2--CNF formulas, where satisfiability is characterized by the implication graph and can be tuned along interpretable axes. Our generators isolate distinct competencies and failure modes: (i) contradiction-cycle UNSAT cores with controllable size and imbalance, (ii) SAT instances with a prescribed fraction of free variables to control solution multiplicity, (iii) planted backbones that modulate propagation, (iv) late bridge clauses that couple otherwise monotone regions to probe sensitivity to ordering and revision, and (v) symmetry/duplication variants that test abstraction under renaming and redundant structure. We evaluate LLM-based reasoners on decision accuracy and assignment validity, and quantify robustness under semantics-preserving perturbations such as clause reordering, filler clauses, and variable renaming. Across models, we observe sharp performance transitions under targeted structural interventions even when surface statistics are held fixed, revealing brittleness regimes that are invisible to aggregate SAT accuracy.

Waheed Ahmed Abro, Zied Bouraoui

Although transformer-based models have shown strong performance in word- and sentence-level tasks, effectively representing long documents, especially in fields like law and medicine, remains difficult. Sparse attention mechanisms can handle longer inputs, but are resource-intensive and often fail to capture full-document context. Hierarchical transformer models offer better efficiency but do not clearly explain how they relate different sections of a document. In contrast, humans often skim texts, focusing on important sections to understand the overall message. Drawing from this human strategy, we introduce a new self-supervised contrastive learning framework that enhances long document representation. Our method randomly masks a section of the document and uses a natural language inference (NLI)-based contrastive objective to align it with relevant parts while distancing it from unrelated ones. This mimics how humans synthesize information, resulting in representations that are both richer and more computationally efficient. Experiments on legal and biomedical texts confirm significant gains in both accuracy and efficiency.

Nathanaël Haas, François Gatine, Augustin M Cosse et al.

Understanding why gradient-based training in deep networks exhibits strong implicit bias remains challenging, in part because tractable singular-value dynamics are typically available only for balanced deep linear models. We propose an alternative route based on two theoretically grounded and empirically testable signatures of deep Jacobians: depth-induced exponential scaling of ordered singular values and strong spectral separation. Adopting a fixed-gates view of piecewise-linear networks, where Jacobians reduce to products of masked linear maps within a single activation region, we prove the existence of Lyapunov exponents governing the top singular values at initialization, give closed-form expressions in a tractable masked model, and quantify finite-depth corrections. We further show that sufficiently strong separation forces singular-vector alignment in matrix products, yielding an approximately shared singular basis for intermediate Jacobians. Together, these results motivate an approximation regime in which singular-value dynamics become effectively decoupled, mirroring classical balanced deep-linear analyses without requiring balancing. Experiments in fixed-gates settings validate the predicted scaling, alignment, and resulting dynamics, supporting a mechanistic account of emergent low-rank Jacobian structure as a driver of implicit bias.

Tanmoy Mukherjee, Marius Kloft, Pierre Marquis et al.

Decomposing predictive uncertainty into epistemic (model ignorance) and aleatoric (data ambiguity) components is central to reliable decision making, yet most methods estimate both from the same predictive distribution. Recent empirical and theoretical results show these estimates are typically strongly correlated, so changes in predictive spread simultaneously affect both components and blur their semantics. We propose a credal-set formulation in which uncertainty is represented as a set of predictive distributions, so that epistemic and aleatoric uncertainty correspond to distinct geometric properties: the size of the set versus the noise within its elements. We instantiate this idea in a Variational Credal Concept Bottleneck Model with two disjoint uncertainty heads trained by disjoint objectives and non-overlapping gradient paths, yielding separation by construction rather than post hoc decomposition. Across multi-annotator benchmarks, our approach reduces the correlation between epistemic and aleatoric uncertainty by over an order of magnitude compared to standard methods, while improving the alignment of epistemic uncertainty with prediction error and aleatoric uncertainty with ground-truth ambiguity.