Y. Bengio
Famous AuthorPublications
Autoregressive Boltzmann Generators
Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative model with exact likelihoods and an importance sampling correction. However, modern BGs predominantly rely on normalizing flows (NFs), which either suffer from limited expressivity due to strict invertibility constraints (discrete time) or computationally expensive likelihoods (continuous time). In this paper, we propose Autoregressive Boltzmann Generators (ArBG) -- a novel autoregressive modelling framework -- that overcomes these limitations by departing from the flow-based BG paradigm. ArBG circumvents the topological constraints of flows and enables sequential inference-time interventions, while offering enhanced scalability by leveraging architectures effective in Large Language Models. We empirically demonstrate that ArBG leads to significant improvements over flow-based models across all benchmarks, but particularly in larger peptide systems such as the 10-residue Chignolin. Furthermore, we introduce Robin, a 132 million parameter transferable model trained with the ArBG framework which improves over the previous state-of-the-art, reducing the zero-shot energy error, E-W$_2$, on 8-residue systems by over 60$\%$. The code can be found at the following link: https://github.com/danyalrehman/autobg.
Language models recognize dropout and Gaussian noise applied to their activations
We provide evidence that language models can detect, localize and, to a certain degree, verbalize the difference between perturbations applied to their activations. More precisely, we either (a) \emph{mask} activations, simulating \emph{dropout}, or (b) add \emph{Gaussian noise} to them, at a target sentence. We then ask a multiple-choice question such as ``\emph{Which of the previous sentences was perturbed?}'' or ``\emph{Which of the two perturbations was applied?}''. We test models from the Llama, Olmo, and Qwen families, with sizes between 8B and 32B, all of which can easily detect and localize the perturbations, often with perfect accuracy. These models can also learn, when taught in context, to distinguish between dropout and Gaussian noise. Notably, \qwenb's \emph{zero-shot} accuracy in identifying which perturbation was applied improves as a function of the perturbation strength and, moreover, decreases if the in-context labels are flipped, suggesting a prior for the correct ones -- even modulo controls. Because dropout has been used as a training-regularization technique, while Gaussian noise is sometimes added during inference, we discuss the possibility of a data-agnostic ``training awareness'' signal and the implications for AI safety. The code and data are available at \href{https://github.com/saifh-github/llm-dropout-noise-recognition}{link 1} and \href{https://drive.google.com/file/d/1es-Sfw_AH9GficeXgeqpy87rocrZZ_PQ/view}{link 2}, respectively.
Local Inconsistency Resolution: The Interplay between Attention and Control in Probabilistic Models
We present a generic algorithm for learning and approximate inference with an intuitive epistemic interpretation: iteratively focus on a subset of the model and resolve inconsistencies using the parameters under control. This framework, which we call Local Inconsistency Resolution (LIR) is built upon Probabilistic Dependency Graphs (PDGs), which provide a flexible representational foundation capable of capturing inconsistent beliefs. We show how LIR unifies and generalizes a wide variety of important algorithms in the literature, including the Expectation-Maximization (EM) algorithm, belief propagation, adversarial training, GANs, and GFlowNets. In the last case, LIR actually suggests a more natural loss, which we demonstrate improves GFlowNet convergence. Each method can be recovered as a specific instance of LIR by choosing a procedure to direct focus (attention and control). We implement this algorithm for discrete PDGs and study its properties on synthetically generated PDGs, comparing its behavior to the global optimization semantics of the full PDG.