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14,750 papers

#machine learning Preprint Open access Oct 2026

The Expressive Power of Random-Feature MPNNs Across Graph Sizes

Continuous random node features increase the expressivity of message-passing neural networks (MPNNs), but existing theoretical analyses are not fine-grained enough to capture their limitations, particularly in approximating functions across graph sizes or under a fixed number of random bits. We develop a population-lev...

Robert R. Nerem, Mitchell Black, Antonis Vasileiou et al. · 0 citations
#machine learning Preprint Open access Oct 2026

Coordinate-Free Automatic Differentiation

Automatic differentiation (AD) is a cornerstone of modern machine learning. Since all AD frameworks implicitly fix a basis of Euclidean space to define gradients and Jacobians, they natively process mathematical objects that are arrays of a fixed set of coordinates. This makes it awkward to express objects such as rota...

Alex Guerra, Joshua Aduol, Yaqian Tang et al. · 0 citations
#machine learning Preprint Open access Oct 2026

Provenance-grouped protocol for evaluating machine learning in perovskite photovoltaics

Machine-learning models for perovskite solar cells are typically evaluated using random data splits, which we show systematically leak information through massive internal duplication. Because nearly two-thirds of curated devices share their exact recipe with another, random splits primarily reward the mere recall of h...

Qiwei Han, Chi Zhou · 0 citations
#machine learning Preprint Open access Oct 2026

NV-Tesseract-AD: Curriculum-Enhanced Conditional Diffusion for Multivariate Time-Series Anomaly Detection

We propose NV-Tesseract-AD, a curriculum learning-enhanced conditional diffusion framework for multivariate time-series anomaly detection. Our central hypothesis is that reconstruction difficulty can be explicitly structured along two complementary axes, masking severity and diffusion noise level, and that training fro...

Aditi Gautam, Manikandan Ravikiran, Saira Qureshi et al. · 0 citations
#machine learning Preprint Open access Oct 2026

Static Gradient Attribution Underperforms a Density-Matched Random Mask on Loss-Based Forgetting Within LoRA B-Matrix

Parameter-efficient continual learning updates a restricted subset of adapter parameters to incorporate sequential tasks while limiting catastrophic forgetting. Gradient attribution is a common rule for selecting that subset, but it requires an additional backward pass over calibration data. We identify a parameter-poo...

Yu Sun, Junwei Zhou, Zuodong Xiang et al. · 0 citations
#machine learning Preprint Oct 2026

Neural expectation-maximization and meta-models

We interpret Transformer networks as learned approximations to a hybrid probabilistic-inference procedure that combines max-product Loopy Belief Propagation (LBP) with Expectation--Maximization (EM). In this view, a Transformer performs inference in partially observed Markov Random Fields (MRFs) whose structure and par...

Zhuo-Lin Fu · 0 citations
#machine learning Preprint Open access Oct 2026

Kernelized Parameter Sensitivity Atlases for Amortized Conditional Interpretability

Gradient-based attribution provides input-specific information about model parameters, but computing it via backpropagation for many samples is expensive, while static importance scores discard input dependence. We derive KPSA (Kernelized Parameter Sensitivity Atlas) from a block decomposition of the empirical neural t...

Davide Wiest, Ahanaf Hasan Ariq, Abdul Monaf Chowdhury · 0 citations
#machine learning Preprint Open access Oct 2026

A Categorical Atlas of Parameter-Efficient Fine-Tuning: Cones, Orbits, and Gauges

Parameter-efficient fine-tuning has hundreds of methods, usually compared by parameter count and benchmark score. We compare them as maps. A pretrained checkpoint is a base point in weight space, and a weight-space method is a smooth map from a small parameter space that starts at that point. These maps form a slice ca...

Xiaoyu Li, Zhizhou Sha, Chiwun Yang et al. · 0 citations
#machine learning Preprint Open access Oct 2026

Spatial Context or Memory? Sizing the Inputs of Neural Surrogates for Partially Observed Fields

Neural surrogates that forecast a physical field from sparse, noisy sensors read a window of nearby sensors and a history of past snapshots. Practitioners choose both by comparing fitted models with each other. Such comparisons cannot tell a model's shortfall from missing information. We measure the trade-off between w...

Ruige Kong · 0 citations
#machine learning Preprint Open access Oct 2026

Byzantine-Resilient Federated Large Language Model via Hypergraph Message Passing

Federated Large Language Models (FedLLMs) are promising to deliver privacy-preserving, collaborative intelligence. The decentralized training process is vulnerable to Byzantine attacks that corrupt semantic consistency and factual resilience through malicious model updates. This paper presents a new resilience strategy...

Kai Li, Hanlin Cai, Zihao Liu et al. · 0 citations
#machine learning Preprint Open access Oct 2026

Primal-Dual Flow Matching for Sample-Wise Constrained Generation

We consider the problem of learning to generate data while satisfying a prescribed \emph{sample-wise} constraint with a user-specified probability of constraint satisfaction. Starting with a population-level constrained negative log-likelihood minimization and using a flow-matching (FM) parameterization, under regulari...

Zhengyan Huan, Peter Y. Lu, Shuchin Aeron · 0 citations
#machine learning Preprint Open access Oct 2026

Critical Mass: Structure-Disjoint Splits Drift With the Libraries They Are Built On

Molecular machine learning evaluates out-of-distribution performance with structure disjoint splits, a construction rule fixed once at the scale its library happened to have: threshold a pairwise distance, then assign whole connected components to folds. For predicting structures from mass spectra, the field has conver...

Tomo Oga, Devesh Shah, Cailum M. K. Stienstra et al. · 0 citations

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Microsoft Research Blog Oct 12, 2026

Simulating student learning for better AI tutoring

StudentSim is a research system for evaluating and improving AI tutoring tools before they are tested with learners. It models how individuals may engage with tutors, giving feedback to improve tutor performance across subjects like chess, writing, and mathematics. The post Simulating student learning for better AI tutoring appeared first on Microsoft Research.

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