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Unrolled-SINDy: A Stable Explicit Method for Non linear PDE Discovery from Sparsely Sampled Data

Banna, Fayad Ali, Caradot, Antoine, Brandao, Eduardo, Colombier, Jean-Philippe, Emonet, Rémi, Sebban, Marc

arXiv.org Artificial Intelligence

Identifying from observation data the governing differential equations of a physical dynamics is a key challenge in machine learning. Although approaches based on SINDy have shown great promise in this area, they still fail to address a whole class of real world problems where the data is sparsely sampled in time. In this article, we introduce Unrolled-SINDy, a simple methodology that leverages an unrolling scheme to improve the stability of explicit methods for PDE discovery. By decorrelating the numerical time step size from the sampling rate of the available data, our approach enables the recovery of equation parameters that would not be the minimizers of the original SINDy optimization problem due to large local truncation errors. Our method can be exploited either through an iterative closed-form approach or by a gradient descent scheme. Experiments show the versatility of our method. On both traditional SINDy and state-of-the-art noise-robust iNeuralSINDy, with different numerical schemes (Euler, RK4), our proposed unrolling scheme allows to tackle problems not accessible to non-unrolled methods.


Critical attention scaling in long-context transformers

Chen, Shi, Lin, Zhengjiang, Polyanskiy, Yury, Rigollet, Philippe

arXiv.org Artificial Intelligence

As large language models scale to longer contexts, attention layers suffer from a fundamental pathology: attention scores collapse toward uniformity as context length $n$ increases, causing tokens to cluster excessively, a phenomenon known as rank-collapse. While $\textit{attention scaling}$ effectively addresses this deficiency by rescaling attention scores with a polylogarithmic factor $β_n$, theoretical justification for this approach remains lacking. We analyze a simplified yet tractable model that magnifies the effect of attention scaling. In this model, attention exhibits a phase transition governed by the scaling factor $β_n$: insufficient scaling collapses all tokens to a single direction, while excessive scaling reduces attention to identity, thereby eliminating meaningful interactions between tokens. Our main result identifies the critical scaling $β_n \asymp \log n$ and provides a rigorous justification for attention scaling in YaRN and Qwen, clarifying why logarithmic scaling maintains sparse, content-adaptive attention at large context lengths.



Differentiating Policies for Non-Myopic Bayesian Optimization

Nwankwo, Darian, Bindel, David

arXiv.org Artificial Intelligence

Bayesian optimization (BO) methods choose sample points by optimizing an acquisition function derived from a statistical model of the objective. These acquisition functions are chosen to balance sampling regions with predicted good objective values against exploring regions where the objective is uncertain. Standard acquisition functions are myopic, considering only the impact of the next sample, but non-myopic acquisition functions may be more effective. In principle, one could model the sampling by a Markov decision process, and optimally choose the next sample by maximizing an expected reward computed by dynamic programming; however, this is infeasibly expensive. More practical approaches, such as rollout, consider a parametric family of sampling policies. In this paper, we show how to efficiently estimate rollout acquisition functions and their gradients, enabling stochastic gradient-based optimization of sampling policies.


Multivariate Bayesian Last Layer for Regression: Uncertainty Quantification and Disentanglement

Wang, Han, Kawasaki, Eiji, Damblin, Guillaume, Daniel, Geoffrey

arXiv.org Machine Learning

We present new Bayesian Last Layer models in the setting of multivariate regression under heteroscedastic noise, and propose an optimization algorithm for parameter learning. Bayesian Last Layer combines Bayesian modelling of the predictive distribution with neural networks for parameterization of the prior, and has the attractive property of uncertainty quantification with a single forward pass. The proposed framework is capable of disentangling the aleatoric and epistemic uncertainty, and can be used to transfer a canonically trained deep neural network to new data domains with uncertainty-aware capability.


Variation-based Cause Effect Identification

Salem, Mohamed Amine ben, Barsim, Karim Said, Yang, Bin

arXiv.org Artificial Intelligence

Mining genuine mechanisms underlying the complex data generation process in real-world systems is a fundamental step in promoting interpretability of, and thus trust in, data-driven models. Therefore, we propose a variation-based cause effect identification (VCEI) framework for causal discovery in bivariate systems from a single observational setting. Our framework relies on the principle of independence of cause and mechanism (ICM) under the assumption of an existing acyclic causal link, and offers a practical realization of this principle. Principally, we artificially construct two settings in which the marginal distributions of one covariate, claimed to be the cause, are guaranteed to have non-negligible variations. This is achieved by re-weighting samples of the marginal so that the resultant distribution is notably distinct from this marginal according to some discrepancy measure. In the causal direction, such variations are expected to have no impact on the effect generation mechanism. Therefore, quantifying the impact of these variations on the conditionals reveals the genuine causal direction. Moreover, we formulate our approach in the kernel-based maximum mean discrepancy, lifting all constraints on the data types of cause-and-effect covariates, and rendering such artificial interventions a convex optimization problem. We provide a series of experiments on real and synthetic data showing that VCEI is, in principle, competitive to other cause effect identification frameworks.