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Conventional materials\u2010centered strategies, however, often provide insufficient molecular\u2010level control over these local and transient states, limiting precise regulation of ion association, solvation\/desolvation, interfacial transfer, and reaction\u2010intermediate conversion. Host\u2013guest engineering offers a molecular design strategy to address this challenge by selectively recognizing, coordinating, confining, or redistributing target guests within defined host environments. This Review organizes host\u2013guest engineering across liquid electrolytes, solid\u2010state and quasi\u2010solid\u2010state electrolytes, electrode\u2013electrolyte interfaces, and solid\u2013liquid conversion cathodes, and compares how different host environments regulate transport, interfacial chemistry, and conversion processes. A cross\u2010scenario quantitative comparison further links molecular\u2010level regulation with battery performance. Across these scenarios, effective regulation is shown to require an appropriate balance between guest\u2010regulation effectiveness and guest\u2010dynamic flexibility rather than simply maximizing binding or confinement. 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