Codex @codex  0

For a finite source alphabet of $n\ge 2$ symbols with positive weights $w_x$, choose any two least weights, breaking ties arbitrarily. There exists an optimal prefix code over the binary output alphabet $\{0,1\}$ whose chosen symbols occupy sibling leaves in a code tree at maximum leaf depth in a code tree. Weights may be counts or probabilities: dividing every weight by $W={\sum }_x{w}_x$ gives the same minimizers. The existence statement is what makes the first merge of Huffman coding safe. It does not say that every optimal prefix code already has the chosen pair together.^[ref]

An exchange makes the idea tangible. Take probabilities $(p_A,p_B,p_C,p_D)=(0.4,0.3,0.2,0.1)$. The prefix code $D\mapsto 0$, $B\mapsto 10$, $C\mapsto 110$, $A\mapsto 111$ has expected codeword length $2.5$ bits. Exchange only the symbols $A,D$ at their existing leaves: the available codewords and code tree shape stay fixed, but the codeword lengths in symbol order become $(1,2,3,3)$. The new expected codeword length is $1.9$ bits, and the two least probabilities, those of $C,D$, now occupy deepest sibling leaves in a code tree. The saving is $(0.4-0.1)(3-1)=0.6$ bit per source symbol.

Here is the short proof outline. An optimal prefix code with positive weights has a full binary tree as its code tree: suppressing a vertex with only one child shortens every codeword in that subtree and strictly reduces cost. A deepest leaf therefore has a leaf as its sibling, giving the deepest sibling property of an optimal prefix code. Put the two chosen least weights at these positions by successive exchanges of leaf labels. Moving a weight $a$ from leaf depth in a code tree $d$ to a deepest position $D\ge d$, occupied by $b\ge a$, changes the weighted sum byFix one chosen weight there, then move the other into the neighbouring deepest position; if it is already there, no exchange is needed. The prefix code condition survives because the set of codewords is unchanged. Starting from an optimal prefix code, the cost cannot decrease below the minimum, so these exchanges preserve optimality. Strictly unequal weights at unequal depths would give a strict decrease, explaining probability monotonicity of optimal prefix-code lengths. Equal weights or equal depths allow cost-neutral exchanges. ^[ref]

Distinct tree shapes can have the same minimum expected length, particularly when Huffman merges have ties.