cs.AIMar 10, 2026

Algebraic Structure Discovery for Real World Combinatorial Optimisation Problems: A General Framework from Abstract Algebra to Quotient Space Learning

Authors: Min Sun, Federica Storti, Valentina Martino, Miguel Gonzalez-Andrades, Tony Kam-Thong

Organizations: F. Hoffmann-La Roche AG, Roche Pharma Research and Early Development

Abstract

Many combinatorial optimisation problems hide algebraic structures that, once exposed, shrink the search space and improve the chance of finding the global optimal solution. We present a general framework that (i) identifies algebraic structure, (ii) formalises operations, (iii) constructs quotient spaces that collapse redundant representations, and (iv) optimises directly over these reduced spaces. Across a broad family of rule-combination tasks (e.g., patient subgroup discovery and rule-based molecular screening), conjunctive rules form a monoid. Via a characteristic-vector encoding, we prove an isomorphism to the Boolean hypercube {0,1}n\{0,1\}^n with bitwise OR, so logical AND in rules becomes bitwise OR in the encoding. This yields a principled quotient-space formulation that groups functionally equivalent rules and guides structure-aware search. On real clinical data and synthetic benchmarks, quotient-space-aware genetic algorithms recover the global optimum in 48% to 77% of runs versus 35% to 37% for standard approaches, while maintaining diversity across equivalence classes. These results show that exposing and exploiting algebraic structure offers a simple, general route to more efficient combinatorial optimisation.

Figures & tables

Explore similar work

Jun 25, 2026

Scientific discovery as meta-optimization: a combinatorial optimization case study

Scientific discovery is fundamentally an optimization problem, defined by a vast state space'' of theories and experiments, and an evaluation criterion based on quality, novelty, and validity. Large language models (LLMs) have enabled automated exploration of this state space, but we argue that simultaneous modification of the evaluation criteria is equally important. Here, we propose formalizing research as meta-optimization, where the optimization objective itself is also being optimized. Our key contribution is consensus objective aggregation,'' where a portfolio of LLM-generated objective functions is combined via correlation-weighted voting, allowing the evaluation criterion to evolve alongside the solutions. We apply this framework to algorithm discovery for planted 3-SAT problems based on digital memcomputing machines. The leading solver from the consensus search reduces median integration steps by more than 38×38\times relative to a tuned baseline at 2,560 variables. Objective ablations show that a well-chosen fixed expert objective can also discover strong solvers, while consensus supplies a stable ranking that mitigates reward hacking behaviors. By bringing objective engineering into the discovery loop, this framework offers a practical route toward more adaptable automated research.
Oct 12, 2026

AI Discovery in Combinatorics: From Problems to Solutions and Back to Bigger Problems

We introduce qtqtBench, a benchmark of 29 open problems in algebraic combinatorics. These problems ask for a simple combinatorial algorithm that explains given polynomial coefficients or identities. To help AI agents search for such algorithms, we provide a scaffold for playing with combinatorial objects, countering cheating attempts, and testing candidate solutions. To explore how far frontier AI systems can go on these problems, we collaborated with OpenAI, whose researchers obtained proposed solutions to several of them. This highlights bigger meta-problems: is AI discovery at scale ethical? How should these results be released? How should proof digestion be organized? We discuss these questions and give our views.
May 18, 2026

Mapping Uncharted Symmetries: Machine Discovery in Combinatorics

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,tq,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.