Discovering a Zeta Map Algorithm on Dyck Paths via Mechanistic Interpretability

Inspired by long-standing open problems in algebraic combinatorics, we show that modern machine learning can meaningfully contribute to verifiable mathematical discoveries. In particular, we focus on the construction of simple mathematical functions under exact distributional constraints, a setting we formalize as Simple Learning Under Rigid Proportions (SLURP). We tackle this problem by introducing two methods: MapSeek-Functional, which models the desired function alternating pseudo-labeling and supervised training steps; and MapSeek-Symbolic, designed to directly produce symbolic formulas. We successfully apply both methods to a research problem in algebraic combinatorics, discovering a new combinatorial interpretation of the $q,t$-Narayana polynomials arising from representation theory. To our knowledge, this is the first such interpretation based on noncrossing partitions. Using one discovered statistic, we find a combinatorial proof of the symmetry of these polynomials in a previously unsolved case. To streamline verification and reproducibility, we release all code, including a formalization of all the mathematical discoveries of this paper in Lean 4.

Chain of Thought (CoT) lifts the expressive ceiling of bounded-depth Transformers, with characterizations tying the number of CoT steps to circuit complexity classes. What remains largely missing are concrete instantiations with explicit, depth-bounded constructions, and the traversal procedures such characterizations presuppose. We close this gap for branching complexity. We give CoT realizations of depth-first search (DFS) and of Dijkstra algorithm, the latter subsuming breadth-first search, by unique hard-attention decoders of at most two layers, and use them as a shared computational substrate: reusing the DFS decoder yields the Strahler number of an $n$-vertex tree in $2n-1$ steps with four layers, and reusing the Dijkstra decoder yields its width in $n-1$ steps with three. Since computing the Strahler number of a binary tree given as a term is \textsf{NC\textsuperscript{1}}-complete, and our constructions handle arbitrary $n$-ary trees without layer normalization or positional encodings, this is a non-trivial witness for the linear-step regime of the CoT hierarchy. Exploiting the classical bijection between ordered trees and Dyck paths, itself realized by our DFS construction, which emits the path as it traverses, we give independent constructions for both measures on the path representation.

Structured prompts require integrating components according to task-relevant relations. How a network implements this integration is often hard to judge in language or vision, where those relations are rarely specified precisely enough to define a candidate internal algorithm. Arithmetic offers a cleaner setting. We study a Transformer trained on base-digit extraction: given $N$, $B$, and $D$, it must report the coefficient of $B^D$ in the base-$B$ expansion of $N$. The closed-form solution, $\lfloor N/B^D \rfloor \bmod B$, provides explicit candidate algorithmic intermediates. Across three seeds, the model reaches 99.83% exact-answer accuracy on held-out number-base intersections, establishing reliable task competence. Linear probes decode the intermediates, making staged arithmetic computation plausible. Causal tests then separate representation from use: within the localized route from the stream with $D$ as input to the output positions, behavior depends on early $D$-selective communication, independent of $N$ and $B$. Relatedly, a sparse circuit search finds mostly separate $N$, $B$, and $D$ routes that combine late rather than the staged route suggested by the probes. Thus, the model represents the intermediates that make the closed-form solution plausible, but the identified localized causal route does not transmit them to the output stream. This case shows that probe-based conclusions can diverge sharply from causal observations, even when explicit algorithmic hypotheses are available.