Physics Closure Matters for Machine Olfaction: A Maxwell-Stefan Graph Solver for Identifiable Dynamic Gas Unmixing

Olfaction played an indispensable role throughout human evolution and civilization. Even in the contemporary era of advanced technology, olfaction remains a critical channel for person to conduct danger discrimination, emotional experience, and memory formation. However, most substances in nature exist as multi-molecule mixtures. The complexity of mixture compositions, as well as concentration dependent saturation effects and receptor specific activation thresholds, pose substantial challenges in identifying olfactory characteristics. In this study, we proposed a novel bio inspired deep learning framework for accurate odor perception recognition of mixtures. We robustly constructed neural response curves for molecule-receptor interactions, and developed a fusion strategy that integrates attention-weighted multi-receptor curves with concentration-dependent multi-molecule curves, replicating the competitive activation and synergistic integration of mixture components. Furthermore, by comparing the consistency of response curve patterns, the model can transfer knowledge from the semantically rich space of molecular associations to guide recognition of mixture perception characteristics. Therefore, we established a complete computational pathway from chemical blending, neural encoding, to perceptual formation. Finally, we conducted comprehensive evaluation, and results demonstrated exceptional superiority, achieving an accuracy of 92.2%. Consequently, our work provides a generalizable solution to the long standing mixture perception challenge. More importantly, it can be integrated into embodied cognitive systems to enhance the agents perceptual and interactive capabilities in complex scenarios.

While modern multimodal models integrate vision with language, audio, or touch, olfaction remains largely unexplored due to the lack of paired visuo-olfactory data. We introduce SmellNet-V, a scalable visuo-olfactory dataset built on the insight that odor identity is largely invariant to visual transformations within a semantic category. This allows us to synthetically pair smell-only samples with semantically aligned in-the-wild web images, converting a unimodal olfactory dataset into a cross-modal benchmark without costly co-collection. Building on this dataset, we propose See & Sniff, a self-supervised framework that learns joint visuo-olfactory representations via dense local alignment and naturally produces smell saliency maps for spatial grounding of odor sources. We further introduce pixel-level smell localization task and a benchmark for evaluation. Our method surpasses smell-only baselines by 7% in smell classification from smell alone and generalizes to cross-modal retrieval and smell localization, establishing visuo-olfactory learning as a new direction in multimodal perception.

This work presents a physics-guided machine-learning framework for carbon monoxide concentration inference from experimentally measured resistance transients of a mixed-phase SnO-SnO$_2$ material gas sensor exhibiting temperature-dependent p-n switching behavior. Cycle-level transient responses are represented through physically interpretable descriptors and complemented by compact fast Fourier transform (FFT) and discrete wavelet transform (DWT)-based summaries. Using leakage-aware grouped cross-validation, we study both multi-class concentration classification and continuous concentration regression for the p-type and n-type sensing regimes separately. Across both regimes, fused features provide the strongest overall performance, while the physics-guided descriptor block remains highly competitive, indicating that the dominant concentration information is already encoded in physically meaningful transient dynamics. The p-type branch shows the best concentration-class discrimination, with the fused Random Forest classifier reaching approximately $96.5\%$ accuracy, whereas the n-type branch yields the best quantitative concentration estimation, with the fused Random Forest regressor achieving an MAE$\approx 1.48$ ppm and an R$^2$ $\approx 0.992$. These results reveal a clear dual-regime behavior: p-type sensing is particularly favorable for classification, whereas n-type sensing is more favorable for high-fidelity regression. More broadly, the study demonstrates that leakage-aware, cycle-level, physics-guided machine learning can extend conventional gas-sensing analysis beyond single-response metrics while preserving physical interpretability