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17,191 papers

#machine learning Preprint Open access Nov 2026

NovoCRF: Globally Normalized De Novo Peptide Sequencing on a Prefix-Mass Lattice

De novo peptide sequencing has moved from dynamic programming over hand-designed or generative scores to large transformers that learn the task end to end. We present NovoCRF, a conditional random field (CRF) whose states are prefix masses, so that its paths are exactly the peptides within +/-0.06 Da of the precursor m...

Rui Qiao, Lei Xin, Baozhen Shan · 0 citations
#machine learning Preprint Nov 2026

Logarithmic Regret for Alternating Mirror Descent

Alternating online mirror descent (AltOMD) is a simple learning rule for zero-sum games, which improves upon simultaneous OMD numerically and theoretically. Previous work obtained $O(T^{1/3})$ and $O(T^{1/5})$ regret bounds for AltOMD, by leveraging modified-energy-function-based analyses. However, settling whether Alt...

Tian-Long Nan, C. Kroer · 0 citations
#machine learning Preprint Nov 2026

Shrinkage prior for implicit generative models

Implicit generative models based on deep neural networks have revolutionized many scientific fields, from weather research to language generation. They successfully model complex random objects arising in real-world problems. In this work, we propose a sample-efficient training mechanism for these models. Our approach...

Shreya Sinha Roy, Christian P. Robert, Ritabrata Dutta · 0 citations
#machine learning Preprint Nov 2026

Post-Inference Model Chaining: A Problem Statement and a Model-based Bootstrap for Training End-to-End Digital Twins

A model-based bootstrap is proposed: an initial chain forwards fitted means, bootstrap chains are refitted on fixed-center bootstrap data while forwarding their mean prediction, and a target-stage future error enters a studentized prediction root, and results support improved endpoint prediction in the tested setting.

Lukas Madenach, Timo Bailer, Tobias Eilert · 0 citations
#machine learning Preprint Open access Nov 2026

Fusing Earth observation embeddings and spaceborne terrain with meteorological forcing for flood peak depth prediction from high-water marks

Flood peak depth on normally dry land governs damage and risk to life, but is observed only sparsely, by post-event high-water mark (HWM) surveys, and depth derived from satellite flood extent is produced after the event and inherits the vertical error of the digital elevation model (DEM) it is computed from. Deep-lear...

Wen Zhou, Shaowen Wang, Upmanu Lall et al. · 0 citations
#machine learning Preprint Open access Nov 2026

Privacy for Free in Efficient Agnostic Halfspace Learning

We provide the first computationally efficient, differentially private algorithms for agnostically learning halfspaces. In particular, we study three different settings of agnostic learning: improper learning under Gaussian and log-concave marginals; proper learning under Gaussian marginals; and semi-agnostic learning...

Giorgio Racca, Amartya Sanyal, Vikrant Singhal · 0 citations
#machine learning Preprint Nov 2026

Multi-Objective Generative Optimization via Expected Hypervolume Fine-Tuning

Scientific discovery requires plausible designs spanning useful trade-offs among competing properties: a molecule with strong binding affinity, for example, may be difficult to synthesize. Pretrained generative models, e.g., flow and diffusion generators, provide a foundation for proposing such designs, but steering th...

J. Guevara, Riccardo De Santi, Andreas Krause et al. · 0 citations
#machine learning Preprint Open access Nov 2026

Empirical Bayes Flow Matching for Continuous Cryo-EM Heterogeneity

We address the problem of learning generative priors over high-dimensional latent variables from indirect, noisy observations, with a focus on continuous heterogeneity in cryo-electron microscopy (cryo-EM). In this setting, 3D atomic structures $x \in \mathbb{R}^{3N_a}$ are never directly observed and must be inferred...

Daniel Aibinder, Azmi Haider, Dan Rosenbaum · 0 citations
#machine learning Preprint Open access Nov 2026

Ensembles of Random Partition-Based Models under Covariate Shift

Distribution shifts, including covariate shifts, are ubiquitous in real-world applications of machine learning. Empirical evidence suggests that, across a variety of models with and without downstream adaptation, ensembles tend to be more robust to covariate shift than single models. We extend the theory of covariate s...

Mary Versa Clemens-Sewall, Eliza O'Reilly · 0 citations
#machine learning Preprint Open access Nov 2026

Stepsize modulation for cross entropy from local quadratic optimization

Two methods are presented that perturb a given learning rate schedule in stochastic gradient descent with cross entropy loss. Both methods use an extra forward pass to estimate various derivatives of the minibatch loss. The first method selects a value $\eta$ by linearising the softmax values and minimizing the squ...

Bruno Bauwens, Viacheslav Krivodub, Bingyu Zhang · 0 citations
#machine learning Preprint Open access Nov 2026

Provably Learning Mixtures of Linear Experts

Mixture-of-Experts (MoE) models are widely deployed in modern machine learning. However, few convergence guarantees exist for gradient-based training of MoEs: the objective is nonconvex, and even simple mixtures trap first-order methods in spurious local optima. We analyze a canonical gated mixture featuring linear exp...

Adrian Candocia, Aamod Varma, Mark Davenport · 0 citations
#machine learning Preprint Open access Nov 2026

Macrocanonical Generator Networks: Data-Efficient Neural Surrogates for Amortized Physics Simulation

Many scientific simulations are computationally expensive, limiting their use in simulation-based inference, uncertainty quantification, and decision making. We introduce macrocanonical generator networks, a framework for learning fast, data-efficient neural surrogates for amortized simulation of stationary physical pr...

Niall Jeffrey, Benjamin D. Wandelt · 0 citations

From tech blogs

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Microsoft Research Blog Nov 3, 2026

Learn the rules: The hacker mindset

Research Manager Mike Walker reflects on a career spanning hacker culture, cybersecurity, and AI, sharing lessons about trust, teamwork, leadership, and why solving difficult problems requires curiosity, judgment, agility—and an understanding of the rules. The post Learn the rules: The hacker mindset appeared first on Microsoft Research.

Google DeepMind Blog Nov 3, 2026

Agentic cheminformatics with Google Antigravity

Learn how Google Antigravity and our Cheminformatics Skills accelerate drug discovery workflows, search compounds, and propose novel rigidified macrocycles.

MIT News · Artificial Intelligence Oct 28, 2026

Making machines that can listen

Professor Paris Smaragdis develops computers with superhuman hearing for applications like speech recognition, music understanding, and environmental monitoring.

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