This paper aims at exploring the dynamic interplay between advanced technological developments in AI and Big Data and the sustained relevance of theoretical frameworks in scientific inquiry. It questions whether the abundance of data in the AI era reduces the necessity for theory or, conversely, enhances its importance. Arguing for a synergistic approach, the paper emphasizes the need for integrating computational capabilities with theoretical insight to uncover deeper truths within extensive datasets. The discussion extends into computational social science, where elements from sociology, psychology, and economics converge. The application of these interdisciplinary theories in the context of AI is critically examined, highlighting the need for methodological diversity and addressing the ethical implications of AI-driven research. The paper concludes by identifying future trends and challenges in AI and computational social science, offering a call to action for the scientific community, policymakers, and society. Being positioned at the intersection of AI, data science, and social theory, this paper illuminates the complexities of our digital era and inspires a re-evaluation of the methodologies and ethics guiding our pursuit of knowledge.