The short-term risks associated with atmospheric trace gases, particularly carbon monoxide (CO), are critical for ecological security and human health. Traditional statistical methods, which still dominate the assessment of these risks, limit the potential for enhanced accuracy and reliability. This study evaluates the performance of traditional models (ARIMA), machine learning models (LightGBM, ConvLSTM2D), and optimized machine learning solutions (Bayes residual optimization ConvLSTM2D LightGBM, Bayes_CL) in predicting Sentinel 5P columnar CO levels. This study findings demonstrate that machine learning models and their optimized versions significantly outperform traditional ARIMA models in cross-validation (CV), visualization, and overall prediction performance. Notably, machine learning model based on Bayes and residual optimization (Bayes_CL) achieved the highest CV score (Bayes_CL R2 = 0.8, LightGBM R2 = 0.79, ConvLSTM2D R2 = 0.75, ARIMA R2 = 0.61), along with superior visualization and other metrics. Using Bayes_CL, we effectively quantified a 2.4% increase in columnar CO levels in mainland China in the second half of 2023, following the complete lifting of COVID-19 lockdowns. This study confirms that machine learning models can effectively replace traditional methods for short-term risk assessment of Sentinel 5P columnar CO. This transition holds significant implications for policy formulation, greenhouse effect assessment, and population health risk evaluation, especially in uncertain situations where human activities are severely disrupted, thereby affecting environmental safety.