#01Oct 16, 2026
cs.LG
Explainable Machine Learning Analysis of Temperature Effects on Mechanical Strength of Fiber-Reinforced High-Performance Concrete
Jagaran Chakma, Zhiguang Zhou, Badhan Chakma and 1 more
Predicting the compressive strength of fiber-reinforced high-performance concrete subjected to temperature exposure is challenging because to the intricate interdependencies of mixture composition, fiber properties, curing conditions, and temperature. A data-driven framework to predict compressive strength utilizing 1,204 experimental records containing a diverse array of material designs and exposure situations. This study evaluates eight machine-learning models and demonstrate that ensemble approaches routinely surpass individual learners. Both gradient boosting and extreme gradient boosting exhibit superior performance on unseen data, each attaining a R^2 of 0.903. Gradient boosting produces the minimal root mean square error (6.67 MPa), whereas extreme gradient boosting achieves the lowest mean absolute error (3.97 MPa) and mean absolute percentage error (10.60%). The models are further interpreted utilizing Shapley additive explanations and partial dependence analysis, which reveal temperature as the primary factor influencing compressive strength, succeeded by fine aggregate, superplasticizer, cement content, water-to-binder ratio, and water content. Strength diminishes significantly with rising temperature, albeit the extent of deterioration is contingent upon the specific combination design. The best performing models are subsequently implemented in a Python-based graphical user interface for expedited prediction. Our findings offer a precise and comprehensible methodology for evaluating temperature-dependent compressive strength and facilitate the practical, data-driven design of fiber-reinforced high-performance concrete.
#02Oct 16, 2026
cs.LG
CocoRNA: Collective RNA Design with Cooperative Multi-agent Reinforcement Learning
Tianmeng Hu, Biao Luo, Ke Li
Designing RNA sequences that reliably fold into specific secondary structures is essential for understanding their biological functions but remains a challenging computational problem. We propose CocoRNA, a cooperative multi-agent reinforcement learning framework for RNA inverse design. CocoRNA simplifies the design task by decomposing it into smaller sub-problems, each solved collaboratively by multiple agents. This approach reduces the complexity of the problem and improves the exploration of design policies. During training, a centralized critic uses global structural information to guide the agents, enabling them to jointly optimize their design strategies. As a result, CocoRNA learns high-quality RNA design policies that generalize effectively to unseen structures without additional training. Experiments on the Rfam dataset demonstrate that CocoRNA substantially outperforms state-of-the-art methods in both success rate and design speed. Further experiments on other biological sequence design tasks highlight the effectiveness and broad potential of CocoRNA for complex design tasks.
#03Oct 16, 2026
cs.CL
Beyond the Answer: Student-Conditioned Trace Construction for Reasoning Distillation
Shaoang Li, Yanhang Shi, Yufei Li and 6 more
A reasoning trace can accompany a correct answer without providing effective supervision for a particular student. We study how to construct traces that improve learning beyond answer-only supervision by considering both their intermediate content and their accessibility to the target learner. We introduce ReDiST, a student-conditioned trace-construction and distillation framework for evidence-rich reasoning. Starting from the student's own attempts, ReDiST revises answer-correct drafts against the supplied evidence and repairs unsuccessful drafts with additional guidance from the verified answer. A frozen student-matched reader screens and ranks original and edited candidates using answer recovery and verified-answer probability, given the question, evidence, and candidate trace. We distill the selected targets while balancing trace and final-answer supervision with an auxiliary answer loss. Construction and selection occur offline, and inference uses only the distilled student. Experiments on question-answering benchmarks show that ReDiST can improve both source-task and cross-benchmark performance over answer-only, original-trace, and the evaluated trace-selection and rewriting baselines. Across supervision recipes, performance rankings can differ between source and transfer benchmarks, highlighting the importance of evaluating trace teaching utility across distributions.
#04Oct 16, 2026
cs.LG
Logic-Guided Graph Denoising Diffusion Models
Samuel Cognolato, Luciano Serafini, Alessandro Sperduti and 1 more
Graph diffusion models are competitive approaches for generating complex graph-structured data. However, when such distributions have strict structural constraints, diffusion models may fail to capture them exactly, resulting in the generation of invalid graphs. In this paper, we propose a method for grounding graph diffusion models in domain-specific knowledge via First Order Logic (FOL), leveraging its expressive and interpretable formalism to impose structural constraints on the generative process. We incorporate domain knowledge using classifier guidance, a technique that conditions the diffusion model's distribution on external variables to exert control over the sampled data. During the generative process, classifier guidance steers the denoising trajectory to optimize an objective function, which we define as a fuzzy and differentiable relaxation of the logical rules. Our methodology requires only the specification of constraints in FOL, whose satisfaction is encouraged at inference time to guide a pre-trained generative model. We evaluate our approach by comparing the unconditional generation of knowledge graphs with our logic-guided framework, which incorporates domain ontologies as structural constraints during inference. This approach significantly increases the proportion of generated graphs that satisfy the ontological constraints.
#05Oct 16, 2026
stat.ML
Task-aware Kernel Stein certificates for Rényi differential privacy
Leoni Carla Wirth, Tara Trautwein, Gesine Reinert
Rènyi differential privacy, based on Rènyi divergence, has become a notion of choice for privacy guarantees. However, outside the Gaussian setting, Rènyi divergence can be difficult to compute. In particular, Rènyi differential privacy guarantees that exploit task-specific information, as in Rènyi Pufferfish privacy, can be challenging. Here we use kernel Stein discrepancies based on escort distributions to provide certificates for Rènyi differential privacy. By designing the kernel to focus on the relevant privacy directions, we also derive task-aware privacy certificates. We provide exact identities for Gaussian and Laplace mechanisms and bounds for exponential mechanisms, with separate task-aware guarantees. A real data set example illustrates how the protected comparison set and the released subspace jointly determine the resulting certificates.