Dark tea, a traditional fermented tea in China, is known for its unique flavor and enhanced health potential due to its fermentation process. However, previous studies on the evolution of its active ingredients and antioxidant properties have been limited by inadequate sample collection, single analytical methods, and insufficient data processing. To address these challenges, this study employed a comprehensive strategy to analyze the dynamic changes of active compounds and antioxidant efficacy during dark tea fermentation using refined sampling, diverse assay techniques, and advanced data analysis. A multi-point temporal sampling method was used to capture key stages of fermentation, ensuring comprehensive data. High-Performance Liquid Chromatography (HPLC) and various antioxidant assays (1,1-diphenyl-2-picryl-hydrazyl (DPPH), 2, 2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), Ferric ion reducing antioxidant power (FRAP)) enabled precise quantification of tea polyphenols, catechins, theaflavins, and thearubigins. Multivariate statistical analysis revealed that tea polyphenols and catechins decreased, theaflavins increased then slightly declined, and thearubigins steadily rose as fermentation progressed. These changes were linked to fluctuations in antioxidant capacity, peaking at around 30 mg/g of phenolic compounds. The study also explored optimizing fermentation to enhance the retention of beneficial components, maximizing antioxidant properties and improving product quality. This research advances the understanding of dark tea fermentation and supports the sustainable development of the dark tea industry.