#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.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.
#03Nov 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.
#04Nov 4, 2026
cs.RO
ConDR: Conservative Reachability through Neural Hamilton-Jacobi Subsolutions
Kendra Givens, Taylor T. Johnson, Bryan C. Ward and 1 more
Hamilton-Jacobi (HJ) Reachability identifies the unsafe states of a dynamical system from which it can be forced into failure under worst-case disturbance. However, classical grid-based solvers scale exponentially with state dimension. DeepReach improves scalability by replacing the grid with a neural value function trained on the HJ-Isaacs (HJI) variational inequality (VI), but penalizes both sides of the residual equally. This allows the learned value to lie above the true one and unsafe states to be misclassified as safe. We propose Conservative DeepReach (ConDR) which aims to learn a subsolution of the HJI VI such that the learned unsafe set contains the true one. ConDR enforces the obstacle branch and terminal condition by construction, pushes the HJI residual to a safety margin $ε$ below zero with a one-sided loss, and prevents the degenerate solution of classifying everything as unsafe. We prove that the exact solution of the margin-shifted VI that ConDR trains toward is a subsolution of the original VI so its unsafe set contains the true one and its value lies within $ετ$ of the true value function. We compare against DeepReach and MADR in the established systems of Air3D, Air6D, a 9D multi-vehicle system, and a 13D quadrotor. ConDR reports the lowest rate of unsafe state misclassified and the lowest closed-loop collision rates with at most a small increase in intervention. On Air3D and Air6D, ConDR tolerates model mismatch that scales with $ε$. At matched false-negative rates, ConDR's unsafe sets are smaller than the baselines showing the safety is not obtained by trivial over-approximation.
#05Nov 4, 2026
cs.LG
Template Gap Reconstruction for Shell Output Simulation with Small Language Models
Jarrod Ragsdale, Rajendra Boppana
Small language models offer a compact basis for shell simulation without executing submitted commands, but full-output decoding requires them to predict recurring utility structure alongside content that varies across executions. We introduce template gap reconstruction (TGR), which supplies reusable output literals interspersed with sentinels to be interleaved with autoregressively generated gaps. A template selector chooses which template to be reconstructed, with the empty template retaining full-output decoding. We construct a template bank from 18.7 million outputs collected across heterogeneous execution environments and train a template selector and five reconstruction models initialized from various small language model checkpoints on a target environment excluded from bank construction. Evaluation demonstrates that TGR improves output edit similarity (O-ES) over full-output decoding (FOD) when the optimal template covers more than 25\% of the template, while performing similarly for lower-coverage outputs. Additionally, TGR outperforms FOD for shorter gap sequences, with O-ES values of 0.964 and 0.812, respectively, while maintaining similar performance for longer sequences. TGR reduces the number of tokens generated by 26.3--38.3\% across used tokenizer families. These results support using a reusable output structure as a practical design choice for small shell simulators, improving response fidelity and shortening generation targets while keeping template selection and residual prediction central to response quality.