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Rivaaj Monsia

Publications and source records attributed to Rivaaj Monsia.

3 recordsLinked to original sources

Optimizing Chlorination in Water Distribution Systems via Surrogate-assisted Neuroevolution

Ensuring the microbiological safety of large, heterogeneous water distribution systems (WDS) typically requires managing appropriate levels of disinfectant residuals including chlorine. WDS include complex fluid interactions that are nonlinear and noisy, making such maintenance a challenging problem for traditional control algorithms. This paper proposes an evolutionary framework to this problem based on neuroevolution, multi-objective optimization, and surrogate modeling. Neural networks were evolved with NEAT to inject chlorine at strategic locations in the distribution network at select times. NSGA-II was employed to optimize four objectives: minimizing the total amount of chlorine injected, keeping chlorine concentrations homogeneous across the network, ensuring that maximum concentrations did not exceed safe bounds, and distributing the injections regularly over time. Each network was evaluated against a surrogate model, i.e.\ a neural network trained to emulate EPANET, an industry-level hydraulic WDS simulator that is accurate but infeasible in terms of computational cost to support machine learning. The evolved controllers produced a diverse range of Pareto-optimal policies that could be implemented in practice, outperforming PPO, a standard reinforcement learning method. The results thus suggest a pathway toward improving urban water systems, and highlight the potential of using evolution with surrogate modeling to optimize complex real-world systems.

cs.NE

Structure-Aware Antibody Design with Affinity-Optimized Inverse Folding

Motivation: The clinical efficacy of antibody therapeutics critically depends on high-affinity target engagement, yet laboratory affinity-maturation campaigns are slow and costly. In computational settings, most protein language models (PLMs) are not trained to favor high-affinity antibodies, and existing preference optimization approaches introduce substantial computational overhead without clear affinity gains. Therefore, this work proposes SimBinder-IF, which converts the inverse folding model ESM-IF into an antibody sequence generator by freezing its structure encoder and training only its decoder to prefer experimentally stronger binders through preference optimization. Results: On the 11-assay AbBiBench benchmark, SimBinder-IF achieves a 55 percent relative improvement in mean Spearman correlation between log-likelihood scores and experimentally measured binding affinity compared to vanilla ESM-IF (from 0.264 to 0.410). In zero-shot generalization across four unseen antigen-antibody complexes, the correlation improves by 156 percent (from 0.115 to 0.294). SimBinder-IF also outperforms baselines in top-10 precision for ten-fold or greater affinity improvements. A case study redesigning antibody F045-092 for A/California/04/2009 (pdmH1N1) shows that SimBinder-IF proposes variants with substantially lower predicted binding free energy changes than ESM-IF (mean Delta Delta G -75.16 vs -46.57). Notably, SimBinder-IF trains only about 18 percent of the parameters of the full ESM-IF model, highlighting its parameter efficiency for high-affinity antibody generation.

cs.CE

Leveraging Evolutionary Surrogate-Assisted Prescription in Multi-Objective Chlorination Control Systems

This short, written report introduces the idea of Evolutionary Surrogate-Assisted Prescription (ESP) and presents preliminary results on its potential use in training real-world agents as a part of the 1st AI for Drinking Water Chlorination Challenge at IJCAI-2025. This work was done by a team from Project Resilience, an organization interested in bridging AI to real-world problems.

cs.NE