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The integration of artificial intelligence into materials research has transformed how chemical and structural spaces are explored, enabling algorithmic systems to generate and evaluate candidate materials at an unprecedented scale. While these approaches dramatically accelerate exploration, they operate under epistemic conditions that differ fundamentally from those of traditional scientific discovery. This conceptual manuscript articulates a boundary between algorithmic discovery—defined by probabilistic inference, large-scale search, and optimization within computational objectives—and scientific discovery, which emphasizes causal understanding, theoretical coherence, and explanatory integration. Rather than treating these modes as competing or hierarchical, the framework conceptualizes their relationship as a permeable boundary through which interaction, feedback, and epistemic governance occur. The analysis examines how algorithmic breadth and scientific depth are coordinated through steering mechanisms such as uncertainty awareness, constraint propagation, and selective interpretation. By foregrounding boundary dynamics, the manuscript clarifies how AI reshapes discovery not by replacing scientific reasoning but by reconfiguring the conditions under which explanation, validation, and legitimacy are achieved. The framework contributes a systems-level conceptual vocabulary for positioning AI as an augmentative instrument in materials research, preserving the epistemic integrity of scientific discovery while enabling scalable exploration beyond human cognitive limits.