Daily TMLR digest for Nov 13, 2025

[TMLR]

New certifications
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J2C Certification: Learning Deformable Body Interactions With Adaptive Spatial Tokenization

Hao Wang, Yu Liu, Daniel Biggs, Haoru Wang, Jiandong Yu, Ping Huang

https://openreview.net/forum?id=qBOEHzkr1P

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Accepted papers
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Title: Towards Formalizing Spuriousness of Biased Datasets Using Partial Information Decomposition

Authors: Barproda Halder, Faisal Hamman, Pasan Dissanayake, Qiuyi Zhang, Ilia Sucholutsky, Sanghamitra Dutta

Abstract: Spuriousness arises when there is an association between two or more variables in a dataset that are not causally related. In this work, we propose an explainability framework to preemptively disentangle the nature of such spurious associations in a dataset before model training. We leverage a body of work in information theory called Partial Information Decomposition (PID) to decompose the total information about the target into four non-negative quantities, namely unique information (in core and spurious features, respectively), redundant information, and synergistic information. Our framework helps anticipate when the core or spurious feature is indispensable, when either suffices, and when both are jointly needed for an optimal classifier trained on the dataset. Next, we leverage this decomposition to propose a novel measure of the spuriousness of a dataset. We arrive at this measure systematically by examining several candidate measures, and demonstrating what they capture and miss through intuitive canonical examples and counterexamples. Our framework Spurious Disentangler consists of segmentation, dimensionality reduction, and estimation modules, with capabilities to specifically handle high-dimensional image data efficiently. Finally, we also perform empirical evaluation to demonstrate the trends of unique, redundant, and synergistic information, as well as our proposed spuriousness measure across $6$ benchmark datasets under various experimental settings. We observe an agreement between our preemptive measure of dataset spuriousness and post-training model generalization metrics such as worst-group accuracy, further supporting our proposition. The code is available at https://github.com/Barproda/spuriousness-disentangler.

URL: https://openreview.net/forum?id=zw6UAPYmyx

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Title: Learning Deformable Body Interactions With Adaptive Spatial Tokenization

Authors: Hao Wang, Yu Liu, Daniel Biggs, Haoru Wang, Jiandong Yu, Ping Huang

Abstract: Simulating interactions between deformable bodies is vital in fields like material science, mechanical design, and robotics. While learning-based methods with Graph Neural Networks (GNNs) are effective at solving complex physical systems, they encounter scalability issues when modeling deformable body interactions. To model interactions between objects, pairwise global edges have to be created dynamically, which is computationally intensive and impractical for large-scale meshes. To overcome these challenges, drawing on insights from geometric representations, we propose an Adaptive Spatial Tokenization (AST) method for efficient representation of physical states. By dividing the simulation space into a grid of cells and mapping unstructured meshes onto this structured grid, our approach naturally groups adjacent mesh nodes. We then apply a cross-attention module to map the sparse cells into a compact, fixed-length embedding, serving as tokens for the entire physical state. Self-attention modules are employed to predict the next state over these tokens in latent space. This framework leverages the efficiency of tokenization and the expressive power of attention mechanisms to achieve accurate and scalable simulation results. Extensive experiments demonstrate that our method significantly outperforms state-of-the-art approaches in modeling deformable body interactions. Notably, it remains effective on large-scale simulations with meshes exceeding 100,000 nodes, where existing methods are hindered by computational limitations. Additionally, we contribute a novel large-scale dataset encompassing a wide range of deformable body interactions to support future research in this area.

URL: https://openreview.net/forum?id=qBOEHzkr1P

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Title: Uncertainty Quantification for Language Models: A Suite of Black-Box, White-Box, LLM Judge, and Ensemble Scorers

Authors: Dylan Bouchard, Mohit Singh Chauhan

Abstract: Hallucinations are a persistent problem with Large Language Models (LLMs). As these models become increasingly used in high-stakes domains, such as healthcare and finance, the need for effective hallucination detection is crucial. To this end, we outline a versatile framework for closed-book hallucination detection that practitioners can apply to real-world use cases. To achieve this, we adapt a variety of existing uncertainty quantification (UQ) techniques, including black-box UQ, white-box UQ, and LLM-as-a-Judge, transforming them as necessary into standardized response-level confidence scores ranging from 0 to 1. To enhance flexibility, we propose a tunable ensemble approach that incorporates any combination of the individual confidence scores. This approach enables practitioners to optimize the ensemble for a specific use case for improved performance. To streamline implementation, the full suite of scorers is offered in this paper's companion Python toolkit, \texttt{uqlm}. To evaluate the performance of the various scorers, we conduct an extensive set of experiments using several LLM question-answering benchmarks. We find that our tunable ensemble typically surpasses its individual components and outperforms existing hallucination detection methods. Our results demonstrate the benefits of customized hallucination detection strategies for improving the accuracy and reliability of LLMs.

URL: https://openreview.net/forum?id=WOFspd4lq5

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New submissions
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Title: A New Kind of Network? Review and Reference Implementation of Neural Cellular Automata

Abstract: Stephen Wolfram proclaimed in his 2003 seminal work ``A New Kind Of Science'' that simple recursive programs in the form of Cellular Automata (CA) are a promising approach to replace currently used mathematical formalizations, e.g. differential equations, to improve the modeling of complex systems.
Over two decades later, while Cellular Automata have still been waiting for a substantial breakthrough in scientific applications, recent research showed new and promising approaches which combine Wolfram's ideas with learnable Artificial Neural Networks: So-called Neural Cellular Automata (NCA) are able to learn the complex update rules of CA from data samples, allowing them to model complex, self-organizing generative systems.
The aim of this paper is to review the existing work on NCA and provide a unified theory, as well as a reference implementation in the open-source library NCAtorch.

URL: https://openreview.net/forum?id=NRwjj0ZLq0

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Title: Graph Concept Bottleneck Models

Abstract: Concept Bottleneck Models (CBMs) have emerged as a prominent framework for interpretable deep learning, providing human-understandable intermediate concepts that enable transparent reasoning and direct intervention. However, existing CBMs typically assume conditional independence among concepts given the label, overlooking the intrinsic dependencies and correlations that often exist among them. In practice, concepts are rarely isolated: modifying one concept may inherently influence others. Ignoring these relationships can lead to oversimplified representations and weaken interpretability. To address this limitation, we introduce **Graph CBMs**, a novel variant of CBMs that explicitly models the relational structure among concepts through a latent concept graph. Our approach can be seamlessly integrated into existing CBMs as a lightweight, plug-and-play module, enriching their reasoning capability without sacrificing interpretability. Experimental results on multiple real-world image classification benchmarks demonstrate that Graph CBMs (1) achieve higher predictive accuracy while revealing meaningful concept structures, (2) enable more effective and robust concept-level interventions, and (3) maintain stable performance across diverse architectures and training setups.

URL: https://openreview.net/forum?id=a4azUYjRhU

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