Global marine biodiversity is experiencing significant alterations due to climate change. Incorporating phylogenetic and functional diversity may provide novel insights into these impacts. This study used an ensemble model approach (random forest and boosted regression tree), to predict the habitat distribution of 47 fish species in the Northwestern Pacific under contemporary (2000–2014) and future scenarios (2040–2050, 2090–2100). We first examined the relationship between eleven functional traits and habitat changes, predicting the spatial distribution of functional traits within fish communities. A significant correlation was observed between temperature preference and habitat changes, highlighting the vulnerability of cold-water species and potential advantages for warm-water species in the future. Moreover, fish communities exhibited a spatial gradient distribution with southern regions characterized by shorter-lived and earlier maturity, contrasting with longer-lived and later maturity species in the north. Secondly, to assess the impact of climate change on marine biodiversity, we explored the taxonomic, phylogenetic, and functional diversity under contemporary and future scenarios, revealing higher indices in the East China Sea (ECS) and the coastal sea of Japan, with the Taiwan Strait emerging as a contemporary biodiversity hotspot. In future scenarios, the three biodiversity indices would decline in the Yellow Sea and ECS, but increase in the sea beyond the continental shelf, coastal sea of Hokkaido, and Sea of Okhotsk. Lastly, we explored processes and mechanisms in the change of community composition. By quantifying β-diversity, we identified species loss (nestedness) as the primary driver of fish community change by 2040–2050, with species replacement (turnover) predicted to become dominant in the far future. Our results explore the potential changes in multiple facets of fish biodiversity, providing crucial insights for policymakers aiming to protect fish resources and biodiversity.