Publications

Compositional Risk Minimization
Divyat Mahajan
Mohammad Pezeshki
Charles Arnal
Ioannis Mitliagkas
Kartik Ahuja
Pascal Vincent
Compositional generalization is a crucial step towards developing data-efficient intelligent machines that generalize in human-like ways. In… (see more) this work, we tackle a challenging form of distribution shift, termed compositional shift, where some attribute combinations are completely absent at training but present in the test distribution. This shift tests the model's ability to generalize compositionally to novel attribute combinations in discriminative tasks. We model the data with flexible additive energy distributions, where each energy term represents an attribute, and derive a simple alternative to empirical risk minimization termed compositional risk minimization (CRM). We first train an additive energy classifier to predict the multiple attributes and then adjust this classifier to tackle compositional shifts. We provide an extensive theoretical analysis of CRM, where we show that our proposal extrapolates to special affine hulls of seen attribute combinations. Empirical evaluations on benchmark datasets confirms the improved robustness of CRM compared to other methods from the literature designed to tackle various forms of subpopulation shifts.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
CurvGAD: Leveraging Curvature for Enhanced Graph Anomaly Detection
Karish Grover
Geoff Gordon
Christos Faloutsos
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
proceedings.mlr.press
proceedings.mlr.press
Discovering Symbolic Cognitive Models from Human and Animal Behavior
Pablo Samuel Castro
Nenad Tomasev
Ankit Anand
Navodita Sharma
Rishika Mohanta
Aparna Dev
Kuba Perlin
Siddhant Jain
Kyle Levin
Noemi Elteto
Will Dabney
Alexander Novikov
Glenn C Turner
Maria K Eckstein
Nathaniel D. Daw
Kevin J Miller
Kim Stachenfeld
Symbolic models play a key role in cognitive science, expressing computationally precise hypotheses about how the brain implements a cogniti… (see more)ve process. Identifying an appropriate model typically requires a great deal of effort and ingenuity on the part of a human scientist. Here, we adapt FunSearch (Romera-Paredes et al. 2024), a recently developed tool that uses Large Language Models (LLMs) in an evolutionary algorithm, to automatically discover symbolic cognitive models that accurately capture human and animal behavior. We consider datasets from three species performing a classic reward-learning task that has been the focus of substantial modeling effort, and find that the discovered programs outperform state-of-the-art cognitive models for each. The discovered programs can readily be interpreted as hypotheses about human and animal cognition, instantiating interpretable symbolic learning and decision-making algorithms. Broadly, these results demonstrate the viability of using LLM-powered program synthesis to propose novel scientific hypotheses regarding mechanisms of human and animal cognition.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
proceedings.mlr.press
proceedings.mlr.press
Egalitarian Gradient Descent: A Simple Approach to Accelerated Grokking
Ali Saheb Pasand
Elvis Dopgima Dohmatob
Grokking is the phenomenon whereby, unlike the training performance, which peaks early in the training process, the test/generalization perf… (see more)ormance of a model stagnates over arbitrarily many epochs and then suddenly jumps to usually close to perfect levels. In practice, it is desirable to reduce the length of such plateaus, that is to make the learning process"grok"faster. In this work, we provide new insights into grokking. First, we show both empirically and theoretically that grokking can be induced by asymmetric speeds of (stochastic) gradient descent, along different principal (i.e singular directions) of the gradients. We then propose a simple modification that normalizes the gradients so that dynamics along all the principal directions evolves at exactly the same speed. Then, we establish that this modified method, which we call egalitarian gradient descent (EGD) and can be seen as a carefully modified form of natural gradient descent, groks much faster. In fact, in some cases the stagnation is completely removed. Finally, we empirically show that on classical arithmetic problems such as modular addition and sparse parity problem which this stagnation has been widely observed and intensively studied, that our proposed method eliminates the plateaus.
2025-10-05
ArXiv (preprint)
doi.org
arxiv.org
From Language Models over Tokens to Language Models over Characters
Tim Vieira
Benjamin LeBrun
Mario Giulianelli
Juan Luis Gastaldi
Brian DuSell
John Terilla
Timothy J. O'Donnell
Ryan Cotterell
Modern language models are internally -- and mathematically -- distributions over …
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
Galileo: Learning Global&Local Features of Many Remote Sensing Modalities
Gabriel Tseng
Anthony Fuller
Marlena Reil
Henry Herzog
Patrick Beukema
Favyen Bastani
James R Green
Evan Shelhamer
Hannah Kerner
David Rolnick
We introduce a highly multimodal transformer to represent many remote sensing modalities - multispectral optical, synthetic aperture radar, … (see more)elevation, weather, pseudo-labels, and more - across space and time. These inputs are useful for diverse remote sensing tasks, such as crop mapping and flood detection. However, learning shared representations of remote sensing data is challenging, given the diversity of relevant data modalities, and because objects of interest vary massively in scale, from small boats (1-2 pixels and fast) to glaciers (thousands of pixels and slow). We present a novel self-supervised learning algorithm that extracts multi-scale features across a flexible set of input modalities through masked modeling. Our dual global and local contrastive losses differ in their targets (deep representations vs. shallow input projections) and masking strategies (structured vs. not). Our Galileo is a single generalist model that outperforms SoTA specialist models for satellite images and pixel time series across eleven benchmarks and multiple tasks.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
Generalization Bounds via Meta-Learned Model Representations: PAC-Bayes and Sample Compression Hypernetworks
Benjamin Leblanc
Mathieu Bazinet
Nathaniel D'Amours
Alexandre Drouin
Pascal Germain
Both PAC-Bayesian and Sample Compress learning frameworks have been shown instrumental for deriving tight (non-vacuous) generalization bound… (see more)s for neural networks. We leverage these results in a meta-learning scheme, relying on a hypernetwork that outputs the parameters of a downstream predictor from a dataset input. The originality of our approach lies in the investigated hypernetwork architectures that encode the dataset before decoding the parameters: (1) a PAC-Bayesian encoder that expresses a posterior distribution over a latent space, (2) a Sample Compress encoder that selects a small sample of the dataset input along with a message from a discrete set, and (3) a hybrid between both approaches motivated by a new Sample Compress theorem handling continuous messages. The latter theorem exploits the pivotal information transiting at the encoder-decoder junction in order to compute generalization guarantees for each downstream predictor obtained by our meta-learning scheme.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
proceedings.mlr.press
proceedings.mlr.press
Generalized Random Forests using Fixed-Point Trees
David Fleischer
David A. Stephens
Archer Y. Yang
We propose a computationally efficient alternative to generalized random forests (GRFs) for estimating heterogeneous effects in large dimens… (see more)ions. While GRFs rely on a gradient-based splitting criterion, which in large dimensions is computationally expensive and unstable, our method introduces a fixed-point approximation that eliminates the need for Jacobian estimation. This gradient-free approach preserves GRF's theoretical guarantees of consistency and asymptotic normality while significantly improving computational efficiency. We demonstrate that our method achieves a speedup of multiple times over standard GRFs without compromising statistical accuracy. Experiments on both simulated and real-world data validate our approach. Our findings suggest that the proposed method is a scalable alternative for localized effect estimation in machine learning and causal inference applications
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
GRAIL: Graph Edit Distance and Node Alignment using LLM-Generated Code
Samidha Verma
Arushi Goyal
Ananya Mathur
Ankit Anand
Sayan Ranu
Graph Edit Distance (GED) is a widely used metric for measuring similarity between two graphs. Computing the optimal GED is NP-hard, leading… (see more) to the development of various neural and non-neural heuristics. While neural methods have achieved improved approximation quality compared to non-neural approaches, they face significant challenges: (1) They require large amounts of ground truth data, which is itself NP-hard to compute. (2) They operate as black boxes, offering limited interpretability. (3) They lack cross-domain generalization, necessitating expensive retraining for each new dataset. We address these limitations with GRAIL, introducing a paradigm shift in this domain. Instead of training a neural model to predict GED, GRAIL employs a novel combination of large language models (LLMs) and automated prompt tuning to generate a program that is used to compute GED. This shift from predicting GED to generating programs imparts various advantages, including end-to-end interpretability and an autonomous self-evolutionary learning mechanism without ground-truth supervision. Extensive experiments on seven datasets confirm that GRAIL not only surpasses state-of-the-art GED approximation methods in prediction quality but also achieves robust cross-domain generalization across diverse graph distributions.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
proceedings.mlr.press
proceedings.mlr.press
Grokking Beyond the Euclidean Norm of Model Parameters
Pascal Jr Tikeng Notsawo
Guillaume Dumas
Guillaume Rabusseau
Grokking refers to a delayed generalization following overfitting when optimizing artificial neural networks with gradient-based methods. In… (see more) this work, we demonstrate that grokking can be induced by regularization, either explicit or implicit. More precisely, we show that when there exists a model with a property
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
Improved Off-policy Reinforcement Learning in Biological Sequence Design
Hyeonah Kim
Minsu Kim
Taeyoung YUN
Sanghyeok Choi
Emmanuel Bengio
Alex Hernández-García
Jinkyoo Park
Designing biological sequences with desired properties is challenging due to vast search spaces and limited evaluation budgets. Although rei… (see more)nforcement learning methods use proxy models for rapid reward evaluation, insufficient training data can cause proxy misspecification on out-of-distribution inputs. To address this, we propose a novel off-policy search,
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press
Improving the Scaling Laws of Synthetic Data with Deliberate Practice
Reyhane Askari-Hemmat
Mohammad Pezeshki
Elvis Dohmatob
Florian Bordes
Pietro Astolfi
Melissa Hall
Jakob Verbeek
Michal Drozdzal
Adriana Romero-Soriano
Inspired by the principle of deliberate practice in human learning, we propose Deliberate Practice for Synthetic Data Generation (DP), a nov… (see more)el framework that improves sample efficiency through dynamic synthetic data generation. Prior work has shown that scaling synthetic data is inherently challenging, as naively adding new data leads to diminishing returns. To address this, pruning has been identified as a key mechanism for improving scaling, enabling models to focus on the most informative synthetic samples. Rather than generating a large dataset and pruning it afterward, DP efficiently approximates the direct generation of informative samples. We theoretically show how training on challenging, informative examples improves scaling laws and empirically validate that DP achieves better scaling performance with significantly fewer training samples and iterations. On ImageNet-100, DP generates 3.4x fewer samples and requires six times fewer iterations, while on ImageNet-1k, it generates 8x fewer samples with a 30 percent reduction in iterations, all while achieving superior performance compared to prior work.
2025-10-05
Proceedings of the 42nd International Conference on Machine Learning (published)
doi.org
proceedings.mlr.press