#01Nov 4, 2026
cond-mat.mtrl-sci
Thermally Conditioned Time-Series Forecasting of Grain Growth in Polycrystalline Materials
Eliane Younes, Elie Hachem, Marc Bernacki
Grain growth during heat treatment strongly affects the microstructure of polycrystalline materials and, consequently, their mechanical properties. Although numerical methods such as front-tracking or front-capturing simulations can accurately describe grain growth, their high computational cost limits their use for long or non-isothermal thermal cycles. In previous work, grain growth was successfully predicted under isothermal conditions by treating grain size distributions as time series and forecasting their evolution using recurrent neural networks, allowing complete grain growth trajectories to be generated in seconds rather than through costly PDE-based simulations. In the present work, this forecasting framework is reformulated to handle non-isothermal conditions by explicitly incorporating thermal information into the model architecture. Grain size distributions are encoded using a convolutional neural network, thermal descriptors are embedded through a dedicated multilayer perceptron, and temporal evolution is predicted using a recurrent network. Instantaneous temperature and thermal rate are provided at each time step, allowing the model to adapt its predictions to changing thermal conditions. The framework is trained and evaluated on datasets generated from validated front-tracking simulations across a wide range of non-isothermal thermal paths. The results show that the thermally conditioned model accurately reproduces grain growth dynamics under complex thermal histories, achieving, in k-fold cross-validation over all simulations, mean relative errors of 2.99% (one-hour cycles) and 4.51% (four-hour cycles) with coefficients of determination exceeding 0.99, and mean relative errors between 1.91% and 14.66% on ten simulations following four unseen thermal histories of increasing complexity.
#02Nov 4, 2026
stat.ML
Alignment Myopia in Generative AI
Remi Denton, Aida Davani, Cynthia L Bennett and 3 more
Current generative AI alignment relies on a myopic paradigm that prioritizes immediate conversational satisfaction. By relying on short-horizon feedback, this approach ignores the profound, longitudinal externalities of persistent human-AI interaction, which can lead to adverse outcomes such as cognitive atrophy, social erosion, and diminished human agency. To address this, we propose a paradigm shift toward long-horizon alignment that accounts for how AI reshapes human experience over time. To this end, we map the tensions between near-term utility and long-term costs of AI use across four facets of human well-being to reveal outcomes that current reward models fail to capture. Ultimately, we advocate for moving beyond simple preference optimization toward alignment strategies that actively foster long-term human well-being by navigating these complex temporal scales.
#03Nov 4, 2026
physics.flu-dyn
FlowReconBench: Accuracy, calibration and cost of learned and classical flow reconstruction from sparse sensors
Nicolas Tricard, Linzheng Wang, Jason Chen and 1 more
Reconstructing full flow fields from sparse sensors requires prior assumptions about unmeasured regions and physical variables. Yet it remains unclear when learned models outperform classical estimators and which aspects of their predictions can be trusted. FlowReconBench evaluates ten learned and five classical methods on three regimes: a laminar cylinder wake across Reynolds numbers, two-dimensional Kolmogorov turbulence and a large-scale three-dimensional (3D) isotropic turbulence. Methods share leakage-controlled splits and sensor draws and are scored on per-channel error, ensemble spread, calibration, spectra and cost. The leading method changes for each regime. Classical methods perform strongly in low-order and dense-sensing regimes. On the cylinder wake, linear stochastic estimation and gappy proper orthogonal decomposition lead, including for unobserved pressure. In 3D, inverse-distance weighting matches the best learned methods on observed channels. Data-driven methods become superior at decreasing sensor density or poor sensor observability. On Kolmogorov flow, continuous ranked probability score and error yield different method rankings: generative models offer broader but underdispersed ensembles, while deterministic models prioritize pointwise error. Generative models balance this tradeoff through their sampler budget, with a larger budget improving ensemble quality at higher computational cost. In 3D, scaling tests demonstrate that queryable methods are flat in memory, while full-grid construction methods run out of memory. Observing only 2 of 4 fields leaves the problem kinematically underconstrained, yet a latent model can reproduce structural similarities to the ground truth.
#04Nov 4, 2026
cs.LG
Context--Answer Metamodels: Forecasting LLM Activations Before the First Answer Token
Tommy He, Thomas Jiralerspong
Under stochastic decoding, a single context can elicit many different answers from a language model. Characterizing this variation typically requires many expensive autoregressive rollouts, each revealing only one realization. We ask whether the activations produced while reading the context can directly forecast the model's rollout activations. We train context--answer metamodels that map a context activation sequence to point or distribution forecasts of mean-pooled answer activations. We find that (i) the four metamodel families we study forecast mean-pooled answer activations with high fidelity, and the distribution metamodels also capture rollout variability; (ii) performance improves as the training set grows to 500,000 prompts, and the metamodels generalize zero-shot to out-of-domain datasets; (iii) their forecasts retain behavior-predictive signal; and (iv) context activations from Qwen2.5 predict mean-pooled answer activations from Qwen3.5 and Gemma 4, suggesting that activation forecasts can transfer across models. Together, these results suggest that context activation traces can support scalable forecasts of behaviors in LLM answers before the first answer token is generated.
#05Nov 4, 2026
cond-mat.mtrl-sci
Evolutionary Design of Interpretable Spatial Descriptors for Structure-Property Relationship Discovery
Aditya Raghavan, Sergei V Kalinin
Structure property prediction is a classical task in machine learning, ranging from molecular activity and materials properties to local functional responses measured in microscopy. For image-based regression, two choices define the information available to the predictor: the size of the image neighborhood and the spatial resolution retained within it. A small neighborhood can omit relevant surrounding structure, whereas a large, finely sampled neighborhood can introduce redundant or irrelevant information. Here, we develop a framework for constructing spatial descriptors for prediction of local spectra and hysteresis loops. We benchmark regression models, use SHAP maps to examine their spatial attribution, and explore the effect of the patch size and compression to establish the relationship between predictive accuracy and descriptor dimensionality. We then use a genetic algorithm to optimize spatial partitions and the assignment of mean, minimum, and maximum pooling operations. Each retained region contributes an explicit measurement of the image, allowing the search to balance prediction error against the number of descriptor values. Cartesian and polar constructions provide complementary ways to organize this information. The resulting descriptors make it possible to examine where spatial detail is needed, where regional summaries are sufficient, and how these choices depend on the predictor and the measured response. The same approach can be used for molecules and solids once the genetic algorithm rules for these are established.