The name Mallie is believed to have its origins in the Scottish Gaelic language. It is thought to be a diminutive form of the name Mally, which itself is a pet name for the feminine name Mary. The earliest recorded use of the name Mallie dates back to the late 16th century in Scotland.

Mallie is derived from the Hebrew name Miryam, which means "beloved" or "bitter" depending on the interpretation. The name Mary, and its variations such as Mally and Mallie, were popularized in Europe after the rise of Christianity and the veneration of the Virgin Mary.

One of the earliest recorded instances of the name Mallie is found in the parish records of Kilwinning, Ayrshire, Scotland, where a Mallie Makgill was listed in 1592. In the 17th century, there is a record of a Mallie Cowane, who was a notable benefactor in the town of Stirling, Scotland, and is credited with founding the Cowane's Hospital in 1637.

In the 18th century, a Mallie Cochrane was born in 1745 in Ayrshire, Scotland. She later emigrated to the American colonies and settled in Pennsylvania. Another notable Mallie from this period was Mallie Macgregor, a Scottish Highland clan chief who lived from 1760 to 1836.

In the 19th century, one of the most famous individuals with the name Mallie was Mallie Baird, a Scottish poet and author who was born in 1802 in Ayrshire. Her works, which included poems and children's stories, were widely popular in her time.

Another notable Mallie from the 19th century was Mallie Campbell, a Scottish philanthropist and social reformer who lived from 1825 to 1910. She was a prominent figure in the temperance movement and worked tirelessly to improve the living conditions of the poor in Glasgow.