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#machine learning Preprint Open access Sep 2026

SimCast-S2S: A Computationally Efficient Diffusion Model for Subseasonal Precipitation Forecasting

Subseasonal-to-seasonal (S2S) precipitation forecasting has substantial financial and societal impact, yet remains challenging because of weak predictive signals, high associated uncertainty, and the computational cost of operational systems, which constrains simulation fidelity. We introduce SimCast-S2S, a generative latent-diffusion framework for probabilistic S2S precipitation forecasting that addresses three major bottlenecks in data-driven prediction. First, because S2S prediction requires uncertainty quantification rather than only deterministic point forecasts, SimCast-S2S is the first data-driven system that uses a diffusion-based generative pipeline for S2S prediction, enabling effective sampling from the underlying conditional distribution. Second, since generating large probabilistic ensembles is computationally costly in physical space, SimCast-S2S instead operates in a compact latent space learned by variational autoencoders (VAEs), enabling efficient large-ensemble generation. Third, diffusion models typically require large training datasets; SimCast-S2S overcomes this via transfer learning with low-rank adaptation (LoRA), pretraining on large ensembles of climate simulations before fine-tuning on limited reanalysis data. On reanalysis data, SimCast-S2S outperforms deep learning baselines, including convolutional neural networks and U-Net architectures. Notably, despite using only a subset of atmospheric input variables and no post-processing, bias correction, or calibration, SimCast-S2S remains competitive with, and in many aspects outperforms, state-of-the-art operational systems such as the ECMWF-S2S baseline. These results indicate that latent generative modeling combined with simulation-to-reanalysis transfer learning offers an efficient and scalable path toward data-driven probabilistic S2S precipitation forecasting.

Hiep V. Dang, Antonios Mamalakis · 0 citations
#machine learning Preprint Open access Sep 2026

PRQ-KMeans: Projection Residual Quantization for Semantic ID Tokenization

Semantic identifiers (SIDs) represent entities as hierarchical token sequences for generative retrieval and recommendation. Residual-quantization tokenizers construct these sequences by selecting a codeword at each level and passing a residual to the next. We view this process as progressive commonality removal: each token captures a component shared within its group, while later tokens should model the remaining differences. This view reveals three limitations: a corpus-wide shared component can consume first-level capacity, hard assignment ignores graded similarities to nearby codewords, and full-codeword subtraction can leave variation along the selected-codeword direction in the next residual. We therefore develop our solution in the post-hoc setting, where residual construction is not constrained by input reconstruction. Specifically, we propose PRQ-KMeans, which removes the global-mean component, refines centroids with Top-k similarity-weighted updates, and replaces full-codeword subtraction with a projection residual that removes each representation's selected-centroid component. Experiments on a large-scale industrial search dataset and four public recommendation benchmarks show that PRQ-KMeans achieves the strongest overall performance among the evaluated tokenizers, including gains of up to 7.4% in HitRate and 11.8% in MRR on the industrial dataset.

Yunxiao Luo, Siyuan Wang, Ben Chen et al. · 0 citations
#machine learning Preprint Open access Sep 2026

From Relaxed Indexability to Exact Indexability: A $t$-Step Approach for Partially Observable Restless Bandits

Whittle index policies offer a scalable method for restless multi-armed bandits, but under partial observability even determining the indifference subsidy at a single belief requires solving an infinite-horizon belief-state problem with no closed-form value function. Liu [10] addresses this difficulty by linearizing the unknown decision boundary, leading to a linear system and a closed-form approximate Whittle index. However, the resulting threshold uses only a one-step active--passive comparison and does not account for longer-horizon continuation values. We extend this framework to a \emph{$t$-step lookahead threshold policy}. For each subsidy $m$, the threshold is defined by the active-minus-passive advantage under $t$-step finite-horizon value iteration. At $t=1$, the threshold is $m$-independent and recovers the linear threshold of Liu [10]; for $t>1$, it becomes subsidy-dependent through the induced first-crossing structure and tracks the exact decision boundary more closely. The proposed algorithm does not require indexability as an input and includes an indexability verification. Under the original Whittle indexability, we prove that the $t$-step approximate Whittle index converges geometrically to the exact Whittle index, \[ |\widehat W_t(\omega)-W(\omega)|=O(\beta^t). \] Numerically, all 2,715 tested three-state instances are verified as indexable according to the proposed criterion. The P95 index error decreases from $2.18\times10^{-2}$ at $t=1$ to $8.93\times10^{-4}$ at $t=8$. In an exact-comparable instance with $\beta=0.9999$, $t=2$ already recovers the exact Whittle-index ordering. Moderate-depth threshold policies also outperform the one-step baseline and remain close to the optimal dynamic-programming benchmark, while runtime grows mildly with $t$.

Qizhen Jia, Keqin Liu · 0 citations
#machine learning Preprint Open access Sep 2026

A Multidimensional Data-Driven Hybrid Transformer Framework for Non-invasive Continuous Blood Pressure Prediction

Objective. To develop and evaluate a cuffless continuous blood pressure (BP) estimator using temporal physiological and demographic features. We propose a hybrid Transformer framework to estimate diastolic and systolic BP from ECG/PPG-derived feature sequences. Approach. Rather than raw waveforms, the framework models 10-step sequences of six physiological descriptors and two demographic covariates. A Multi-Source Temporal Encoder Module combines Transformer, Kolmogorov-Arnold Network, and XGBoost branches to capture complementary temporal, nonlinear, and tabular information. A Dynamic Conditional Fusion-Decoder applies differential multi-head attention, token-weighted aggregation, and gated residual correction. A robust composite objective jointly optimizes DBP and SBP. Main results. Using the MIMIC-III Waveform and Clinical Databases, the source pool comprised 28,486 waveform segments from 203 subjects, and feature generation retained 53,621 observations from 166 subjects. On 2,431 segment-level held-out test windows, mean error +/- standard deviation was 0.41 +/- 3.74 mmHg for diastolic BP and -1.60 +/- 5.95 mmHg for systolic BP, with 95% limits of agreement of [-6.93, 7.74] and [-13.25, 10.06] mmHg, respectively. The proportions within 10 mmHg were 98.48% and 94.36%. The framework achieved the lowest standard deviations and narrowest limits of agreement among the locally retrained baselines. Significance. The feature-sequence fusion framework improved agreement with reference BP and fell within numerical AAMI and BHS Grade A thresholds on this split. This retrospective analysis is not formal device validation; subject-disjoint and external evaluation remain necessary before clinical use.

Yuexin Ma, Jingqi Hou, Yuxuan Kang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Activation-Keyed Momentum: An Anisotropic Momentum Update via the Delta Rule

Most modern optimizers form their momentum as an exponential moving average (EMA) of past gradients, forgetting every direction at one fixed rate. However, the inputs a deep network sees during training can be highly anisotropic, with a few directions queried frequently while most are seen rarely. Preconditioning methods address this anisotropy by wrapping extra processing around this buffer and leave the momentum update itself unchanged. We propose Activation-Keyed Momentum (AK-Momentum), which builds direction-awareness into the momentum update rule. The gradient of a linear layer splits into an input activation that acts as a key and an output-side error that acts as a value. Keying on that activation, AK-Momentum updates the momentum buffer by the canonical delta rule, so each direction is forgotten at a rate set by how often it appears. We prove that it is a valid momentum, that it applies the input-side curvature correction without matrix inversion, and that it clears stale directions faster than EMA under both a fixed and a drifting optimum. It is a drop-in replacement for the momentum buffer of any optimizer, its coefficient transfers across widths under $\mu$P, and its extra compute stays between $22.2\%$ and $25.0\%$ of a gated-MLP block's linear cost with no persistent memory. In FineWeb-Edu pretraining, AdamW with AK-Momentum (AK-AdamW) reaches AdamW's validation loss in up to $46.39 \pm 4.32\%$ fewer steps at 67M and $22.12 \pm 0.80\%$ at 370M over three seeds, and the gain persists at 1B on a Chinchilla-optimal budget. A Muon baseline tuned under the same protocol sits above AK-AdamW at both language-model scales, and the gain holds for SGD, ResNet-18, and ViT-Tiny on CIFAR-10. Training-time diagnostics confirm the predicted mechanism, better gradient tracking and healthier input directions.

Euijin Hong, Guannan Qu · 0 citations
#machine learning Preprint Open access Sep 2026

Earth observation embeddings are effective sub-grid descriptors for probabilistic weather downscaling

Global weather reanalyses and forecasts resolve the evolving atmospheric state on coarse grids, but site-specific applications require predictions at arbitrary locations where near-surface conditions also depend on unresolved terrain and land-surface properties. Existing probabilistic downscalers address this gap using hand-crafted topographic and surface descriptors. We ask instead whether Earth observation foundation models can provide transferable subgrid surface representations for probabilistic weather downscaling. We augment a convolutional conditional neural process (ConvCNP) that downscales coarse ERA5 reanalysis fields at ~25 km resolution with a learned local surface descriptor, obtained by compressing a patch of TESSERA embeddings at 10 m resolution. Although these embeddings summarize annual surface conditions, they improve downscaling by encoding persistent surface properties that capture a location's departure from the coarse-grid atmospheric state. Across five climatically diverse regions, the embedding improves point and probabilistic skill at stations held out in both space and time, overall improving CRPS skill by 11.5% for 2 m temperature and 6.2% for 10 m wind speed relative to a topography-only ConvCNP baseline. A hand-crafted descriptor incorporating richer surface information than topography alone captures comparable persistent subgrid signal but yields far smaller predictive gains than the learned embedding representation. These improvements persist when forecasts from the Aurora AI model replace ERA5 reanalysis fields and when predicting at newly deployed weather station networks. To our knowledge, this is the first evidence that long-timescale Earth observation embeddings can support short-timescale weather downscaling where subgrid departures are systematically structured by persistent surface properties.

Pedro Sousa (Department of Computer Science, University of Cambridge), Will Tebbutt (Department of Engineering et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Democratic ICAI: Debating Our Way to Steering Principles from Preferences

Preference-based alignment often struggles to capture the reasoning that underlies human judgments. Many evaluations rely on multiple interacting criteria, yet pairwise labels reveal only the final choice rather than the considerations that shape preferences. Inverse Constitutional AI (ICAI) improves interpretability in decision making by summarizing preferences into natural-language principles, but its single-pass explanations miss much of the nuance involved in complex decisions. We introduce Democratic ICAI (DICAI), a novel approach that gathers multiple competing rationales through structured persona debate, offering a broader and more expressive account of the factors influencing each comparison. From these richer signals, we derive clearer and more comprehensive steering principles and use them to guide preference decision modeling through both LLM-based and decision-tree judges, as well as downstream model training via constitution-induced preference labels. Experiments on creative preference benchmarks, MuCE-Pref and LiTBench, across multiple creative task categories show that Democratic ICAI yields a more faithful preference structure. It improves average preference prediction across tasks relative to deliberative prompting and principle-based baselines, while producing constitutions that LLM annotators prefer.

Kevin Kingslin, Anish Natekar, Ashutosh Ranjan et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Real vs. Complex Spectral Bases for Neural Operators: The Role of Green's Function Alignment

Fourier Neural Operators (FNO) learn solution operators of partial differential equations by parameterizing global convolutions in the complex Fourier domain. For real-valued PDE solutions, the complex FFT carries representational redundancy through conjugate symmetry. We introduce the Hartley Neural Operator (HNO), the exact real-valued mirror of FNO: it replaces the FFT with the purely real Discrete Hartley Transform and learns a single real multiplier per retained spectral mode, with no complex arithmetic. Because the real Hartley spectrum is not halved by conjugate symmetry, HNO retains twice as many frequency corners as FNO but one real weight where FNO carries a complex pair, so the two operators are iso-parametric at equal width and differ only in spectral basis. Our central thesis is that the best basis is a property of the operator. Self-adjoint elliptic operators (Poisson, biharmonic) have real, symmetric Green's functions that the real Hartley multiplier diagonalizes exactly, and HNO is favored there. Time-dependent operators carry phase, from oscillation in the wave equation to transport in advection, Burgers, and Navier-Stokes, which a real diagonal multiplier cannot represent, so FNO is favored there, and increasingly so with the operator's phase content, leaving the phaseless heat equation as the borderline case. Training both operators identically and benchmarking across PDE classes, initial-condition families, and boundary conditions, we find an elliptic-versus-time-dependent split that is monotone in operator phase content and matches the Green's-function theory we develop. Rather than a universal winner, our findings give a predictive rule: match the spectral basis to the symmetry of the solution operator.

Jason Sulskis, Sathya Ravi · 0 citations
#machine learning Preprint Open access Sep 2026

Structured Inference with Large Language Gibbs

The knowledge encoded in large language models (LLMs) can serve as a substrate for structured reasoning over variables describing a complex world, but accessing this knowledge in a probabilistically coherent manner poses a difficult inference problem. We propose Large Language Gibbs, a scheme for structured probabilistic inference that uses conditional distributions of an LLM as transition operators. Rather than sampling structured objects through single-pass autoregressive generation, we iteratively resample individual variables conditioned on others using an LLM's next-token conditionals. This approach avoids order-dependent biases and produces a stationary distribution that reflects a compromise between all local conditionals. We apply this approach to sampling from synthetic distributions, consistent reasoning tasks, and Bayesian structure learning. The results suggest that the use of LLM conditionals in MCMC is a practical alternative to one-pass generation for structured probabilistic inference under a world prior accessible through noisy LLM conditionals.

Sanghyeok Choi, Henry Gouk, Esmeralda S. Whitammer · 0 citations
#machine learning Preprint Open access Sep 2026

ThousandWorlds: A benchmark for climate emulation of potentially habitable exoplanets

The search for life beyond Earth will depend on detecting faint signatures in the atmospheres of potentially habitable exoplanets. Interpreting those signatures requires understanding the host planet's climate: the same molecule may signal life on one planet and abiotic chemistry on another. Global climate models (GCMs) provide this understanding, but individual runs can require up to millions of core-hours and substantial domain expert time. Machine-learning emulators could remove this bottleneck, but progress has been limited by the absence of a curated, multi-model exoclimate dataset. We introduce ThousandWorlds, an ML-ready benchmark for exoclimate emulation and for the broader regime of low-data, multi-simulator, parameter-to-field regression. The dataset contains approximately 1800 simulations from five GCMs, mapping eight planet parameters to 3D atmospheric fields including temperature, humidity, winds, clouds, and radiation. Three nested subsets define progressively harder challenges: single-simulator regression, multi-simulator regression with complete observations, and multi-simulator regression with structured missingness. We propose two evaluation protocols: one for ranking methods, and one that measures performance relative to the disagreement between GCMs themselves. We evaluate seven baselines spanning simple methods, deep learning, and Gaussian processes. GP-based methods perform best, suggesting that ThousandWorlds exposes a regime where off-the-shelf deep learning does not yet succeed. Data: https://doi.org/10.57967/hf/8695. Code: https://github.com/edstevenson/ThousandWorlds.

Edward T. Stevenson, Mei Ting Mak, Eric Wolf et al. · 0 citations
#machine learning Preprint Open access Sep 2026

SPACR: Single-Pass Adaptive Training of Uncertainty-Aware Conformal Regressors

Conformal Prediction (CP) provides robust uncertainty guarantees for predictive models, but is typically applied post hoc, which misaligns model training with the conformal goal of producing efficient (i.e., narrow) intervals. We propose SPACR (Single-Pass Adaptive Conformal Regressor), a novel method for directly training uncertainty-aware regressors within a differentiable loss. SPACR jointly optimizes accuracy, efficiency, and validity without batch-splitting or a predefined confidence level during training. As a result, a single SPACR model yields valid prediction intervals at multiple confidence levels during inference, avoiding the costly retraining required by methods like Directly Optimized Inductive Conformal Regression (DOICR). Experiments on diverse tabular and image datasets show that SPACR consistently gives tighter intervals and better coverage-efficiency trade-offs compared to standard CP and DOICR, while significantly reducing computational costs relative to retraining-dependent baselines.

Soundouss Messoudi, Sylvain Rousseau, S\'ebastien Destercke · 0 citations
#machine learning Preprint Open access Sep 2026

GENERIC-FNO: Embedding Energy Conservation and Entropy Production into Fourier Neural Operators

We introduce GENERIC-FNO, the first neural operator to embed the full GENERIC (metriplectic) structure of nonequilibrium thermodynamics -- reversible, energy-conserving dynamics and irreversible, entropy-producing dynamics coupled through the degeneracy conditions -- directly in function space. Existing structure-preserving neural operators enforce at most a single conservation law or reversible (Hamiltonian) structure, while thermodynamically consistent learning has been confined to finite-dimensional, graph, or particle systems. GENERIC-FNO closes this gap: it learns the energy and entropy functionals as neural operators and parameterizes the Poisson and friction operators as diagonal Fourier multipliers sandwiched between rank-one projections that enforce the degeneracy conditions exactly, by construction, with no penalty term, update projection, or residual. The degeneracy identities hold to machine precision (residuals ~10^-13) for any initialization, dimension, or resolution, so the continuous-time dynamics conserve the learned energy and produce entropy exactly; the explicit time stepping adds only a small O(dt^2) drift (per-step residual ~10^-6). We further note that the (E,S,L,M) decomposition of a given flow is not unique, and introduce a gauge-invariant dissipation diagnostic separating reversible from dissipative dynamics independently of the learned functionals. Across three operator backbones (1D/2D FNOs and DeepONet) and four PDEs spanning reversible, dissipative, and mixed regimes, GENERIC-FNO preserves its exact structural guarantees zero-shot across a 4x super-resolution range (64 to 256), recovers the ground-truth ordering of physical dissipation, and is competitive with strong unconstrained and energy-penalized baselines, outperforming them on several dissipative and mixed problems at comparable or fewer parameters.

Jason Sulskis, Sathya Ravi · 0 citations

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MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.