#01Nov 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.
#02Nov 4, 2026
cs.LG
Continual Classification Beyond the Kernel Regime: Harnessing the Sparsity Bias of L2 Regularization in Diagonal Linear Networks
Gilad Karpel, Itay Evron, Ron Meir and 1 more
We study logistic regression for continual learning with linear predictors in a high-dimensional statistical setting. Existing theoretical work has largely focused on continual linear regression with variants of L2 regularization, motivated by their analytical simplicity and connection to the kernel regime of neural networks. We first derive the optimal L2 regularization strength for continual linear classification and characterize its generalization performance, recovering behavior analogous to prior results for continual linear regression. Next, we examine the effect of L2 regularization in deeper models using a minimal two-layer diagonal linear network. In the single-task setting, L2 regularization on the weights of such models is known to promote sparsity in the resulting predictor, yielding a rich, sparse feature-learning regime beyond the kernel regime (a similar effect arises in two-layer ReLU networks). However, in continual learning, where L2 regularization is typically centered on previous-task weights, this sparsity bias is no longer preserved. We therefore propose a weighted variant of L2 regularization that extends this beneficial sparsity bias to continual learning. We show theoretically and empirically that, for a sufficiently sparse teacher, our variant converges substantially faster than directly learning a linear predictor with conventional continual L2 or L1 regularization, trading some long-horizon bias for markedly improved performance over moderate task horizons.
#03Nov 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.
#04Nov 4, 2026
cs.LG
Transforming Integer Grids to Spatial Intuition: Perception, Not Planning, Governs ARC-AGI-3
Harsidak Singh Banwait
Sample-efficient fluid intelligence requires agents that rapidly form working models of unfamiliar interactive environments. ARC-AGI-3 tests this across uninstructed visual games scored by Relative Human Action Efficiency, which penalizes exploratory waste quadratically. When frontier models read raw integer grids, serialization destroys spatial topology, and they spend hundreds of actions rediscovering basic boundaries and symmetries. We introduce SARBLOH, an open-weight agent built on the premise that spatial perception, not planning capacity, governs interactive reasoning on ARC-AGI-3. A zero-parameter O(HW) perception engine turns each frame, in 35 ms, into an object inventory with bipartite temporal tracking, a geometric briefing that separates proven invariants from affordance hypotheses, and an annotated canvas. Paired with a code-as-action runtime, the agent writes algorithmic hypotheses instead of low-level moves. Across eight presentations, grounded perception raises the rubric score from 3/28 to 25/28 points while cutting token use by 89.4%. On 23 held-out games, geometric invariants generalize with 100% accuracy, while single-frame affordance guesses fall to 6-50%, so active verification probes remain necessary. On the public set, Run A (briefing off) solved 143 of 183 levels in 8.2 hours at 59.4% single-pass efficiency; Run B (briefing on) reached 63.5%. Within the nine-hour budget on one Kaggle RTX PRO 6000 GPU, SARBLOH scored 16.53 on the hidden Kaggle evaluation, 13.7x the first Milestone winner.
#05Nov 4, 2026
cs.MA
A Framework for Context Enrichment and Selective Robustness in LLM Social Agents
Mattia Greiche, Reihaneh Rabbany, Maximilian Puelma Touzel
Researchers use large language models as agents in social simulations, where agents are prompted with observations and background information intended to shape their actions. Yet LLM agents have been shown to substantially change their behavior under meaning-preserving prompt variations, creating a validation problem for social simulation. One plausible hypothesis is that this brittleness reflects a lack of grounding and can be reduced by enriching the context provided to the agents. Whether richer context improves robustness remains unclear, in part because context richness and robustness are rarely defined in ways that support controlled comparisons. We address the first need with controlled context enrichment, a set of prompt substitution rules that systematically enriches distinct types of context: neutral padding, generic social background, descriptive decision grounding, and normative decision grounding. We address the second by introducing selective robustness as a validation criterion: insensitivity to meaning-preserving prompt variation combined with a directional response to decision-relevant changes in the social world. We demonstrate the framework in a Prisoner's Dilemma-like game, showing how it can be used to identify which forms of context enrichment produce more desirable and robust agent behavior. We find that these forms of enrichment produce distinct behavioral patterns that vary between the two models tested.