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Jul 9

FORGE: Foundational Optimization Representations from Graph Embeddings

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

  • 2 authors
·
Aug 27, 2025

Train longer, generalize better: closing the generalization gap in large batch training of neural networks

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

  • 3 authors
·
May 24, 2017

WorldKernel: A World Model is the Coupling Kernel of Admissible Possible Worlds

A common assumption holds that enough observational and interventional data, given to a strong enough predictor, suffices. We report a failure mode that contradicts it. Across hundreds of structural causal models, on identified quantities a strong predictor and a Bayesian baseline both succeed, but on unidentified quantities (the couplings between counterfactual worlds) the predictor collapses to a point, on 28% of models to one no valid model can produce, while the truth is an admissible interval more data never narrows. The gap is structural: prediction cannot represent uncertainty over counterfactual couplings. We cast a world model as a single positive semidefinite coupling kernel K(T,T') over admissible worlds, whose diagonal is the ordinary posterior (what a predictor recovers) and whose off-diagonal is the cross-world coupling it cannot, which every counterfactual reads. The paper is the theory of that off-diagonal. It is real: two states with identical posteriors differ on a cross-world query, and the off-diagonal is the coupling that fixes counterfactuals. It can be bounded: positive semidefiniteness is partial-identifying information the marginals lack, and enforcing it bounds counterfactuals in polynomial time where the exact response-type program is intractable. Logical structure sharpens it: ontology axioms tighten the bound by up to a third, propagating to couplings they never touch. It can be acquired: targeted scars, constraints learned from encountered infeasibilities, close the gap several times faster than untargeted ones. Its full reconstruction is approximate counting of the admissible worlds, tractable below the Sly-Sun threshold and inapproximable above; we do not claim to beat the worst case.

  • 1 authors
·
Jun 8

The Data Manifold under the Microscope

A significant gap exists between theory and practice in deep learning. Generalization and approximation error bounds are often derived for simplified models or are too loose to be informative. Many rely on the manifold hypothesis and on geometric regularity such as intrinsic dimension, curvature, and reach. Progress requires insight into data-manifold geometry and suitable benchmarks, yet existing options are polarized: analytic manifolds with known geometry but limited applicability, or real-world datasets where geometry is only coarsely estimable. We introduce a benchmarking framework for studying data geometry. We repurpose and extend dSprites and COIL-20 with additional transformation dimensions and dense, axis-aligned sampling, and pair them with finite-difference estimators that recover curvature, reach, and volume at near-ground-truth accuracy in a regime where general-purpose estimators are unreliable or difficult to deploy. The framework is intended as a controlled testbed, useful as a calibration environment for geometric estimators and a sandbox for probing theoretical assumptions. To illustrate its use, we present two application studies, namely assessing the scaling behavior of the bounds of Genovese et al. and Fefferman et al., and tracking the layer-wise geometry of a β-VAE, highlighting the behavior of current bounds and the value of controlled benchmarks for guiding and validating future theory. A reference implementation is available at https://github.com/koulakis/manifold-microscope.

  • 2 authors
·
Jun 13 8

The Monge Gap: A Regularizer to Learn All Transport Maps

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

  • 2 authors
·
Feb 9, 2023

The interstellar flux gap: From dust to kilometer-scale objects

Context. Three kilometer-sized interstellar objects (ISOs) have been detected transiting the Solar System, and spacecraft have directly measured micrometer-scale interstellar dust (ISD). Yet no intermediate-size interstellar meteoroids have been identified in current meteor surveys. Aims. We test whether a power-law flux extrapolation connecting spacecraft ISD and kilometer-scale ISOs is consistent with meteor surveys, and we quantify the expected interstellar impacting flux based on various observational reports. Methods. We compiled differential fluxes and limits from spacecraft ISD, radar and optical meteor surveys, and theoretical estimates. We evaluated the power-law size-frequency fits, computed the 3I-like flux, and compared measured fluxes to predictions. Results. The spacecraft-measured dust flux exceeds extrapolations constrained by meteor surveys and kilometer-scale ISOs by sim2-7 orders of magnitude. An r^{-3.0} fit combining spacecraft ISD detections with kilometer-scale ISOs overpredicts the number of meteors with hyperbolic orbits, whereas slopes of r^{-2.7}-r^{-2.3} (derived from radar and optical meteor upper limits, respectively) instead yield interplanetary-to-interstellar flux ratios of 10^{3}-10^{6}. Conclusions. A simple power-law from ISD to ISOs is inconsistent with meteor survey constraints and yields unrealistic predictions for interstellar meteoroids. The data reveal a gap between submicron dust entrained in the Local Interstellar Cloud (LIC) and macroscopic bodies ejected from planetary systems. This gap may reflect distinct origins and destruction-transport processes rather than a continuous size-frequency distribution. This would imply either the dominance of a small-particle LIC component or the need to reassess spacecraft dust fluxes.

  • 2 authors
·
Nov 3, 2025

Emergent Transfer of a Physics Foundation Model from Simulation to Laboratory Turbulence

Whether physics foundation models can be usefully deployed on laboratory experiments remains an open question for scientific machine learning (ML). We test this question on the Rayleigh-Taylor instability (RTI), a ubiquitous and demanding fluid instability seen from tabletop flows to supernova explosions, in which small perturbations at a density interface grow into chaotic, multiscale mixing as a lighter fluid accelerates into a heavier one. Standard ML models struggle with RTI, and despite over a century of theoretical, numerical, and experimental work, it carries an unresolved discrepancy between simulation and experiment: the late-time mixing growth rate, α, measured in most laboratory experiments (sim 0.06-0.07), is roughly three times the value from idealized direct numerical simulations (DNS, sim 0.02). The gap's origin remains debated. These properties make RTI a stringent test for a question that matters well beyond RTI: can foundation models trained only on simulations generalise to sparse, messy, and noisy laboratory settings? We finetune Walrus, a foundation model for continuum dynamics, on three or fewer DNS realizations and recover key RTI physics over long rollouts. Applied zero-shot to sliding-barrier laboratory data, the finetuned model leaves the DNS-like regime and enters the observed growth band, having never seen a single experimental sample. These results provide independent, data-driven evidence that initial conditions play a crucial role in the longstanding sim-experiment gap in α. The model also generalises zero-shot to stable stratification, a buoyancy regime absent from training, correctly slowing mixing-layer growth. Together, our results show that foundation models can generalise well beyond their training data, predicting laboratory behavior and unseen physical regimes, opening new ways to probe longstanding simulation-experiment gaps.

polymathic-ai Polymathic AI
·
May 30

The FID Lottery: Quantifying Hidden Randomness in Generative-Model Evaluation

The Frechet Inception Distance (FID) is the de facto arbiter of image generation, yet most papers report just a single number from a single trained model using a single sampling seed. How reproducible is that number if we retrain the model, or merely resample from it? In this paper, we treat FID as a random variable on a two-axis panel of training and generation seeds, and measure its variance directly on several hundred SiT networks trained on class-conditional ImageNet 256x256. We report surprising findings: (a) Retraining the model using the same recipe with a different seed moves FID 3.2x more (in Inception feature space) than redrawing samples from a fixed network. (b) That gap is driven by three factors: random initialisation, data ordering, and the per-step Gaussian noise of the flow-matching loss. (c) Increasing compute or model size barely tightens the spread, holding the FID coefficient of variation (CoV) inside a 1-2% band. (d) Per-cell classifier-free-guidance tuning halves the spread but reshuffles which seeds work best, and a lucky training seed reaches the same FID with up to 2x less compute than an unlucky one. Based on these findings, we recommend a new FID evaluation protocol: evaluate under per-cell optimal guidance, treat any FID gap below the empirically measured ~1.3% CoV as inconclusive, and report an error bar over several training seeds rather than a single FID number.

kyutai Kyutai
·
Jun 17 1