Xihan Li

Rasul Tutunov, Alexandre Maraval, Antoine Grosnit et al.

Sphere packing, Hilbert's eighteenth problem, asks for the densest arrangement of congruent spheres in n-dimensional Euclidean space. Although relevant to areas such as cryptography, crystallography, and medical imaging, the problem remains unresolved: beyond a few special dimensions, neither optimal packings nor tight upper bounds are known. Even a major breakthrough in dimension $n=8$, later recognised with a Fields Medal, underscores its difficulty. A leading technique for upper bounds, the three-point method, reduces the problem to solving large, high-precision semidefinite programs (SDPs). Because each candidate SDP may take days to evaluate, standard data-intensive AI approaches are infeasible. We address this challenge by formulating SDP construction as a sequential decision process, the SDP game, in which a policy assembles SDP formulations from a set of admissible components. Using a sample-efficient model-based framework that combines Bayesian optimisation with Monte Carlo Tree Search, we obtain new state-of-the-art upper bounds in dimensions $4-16$, showing that model-based search can advance computational progress in longstanding geometric problems. Together, these results demonstrate that sample-efficient, model-based search can make tangible progress on mathematically rigid, evaluation limited problems, pointing towards a complementary direction for AI-assisted discovery beyond large-scale LLM-driven exploration.

Xihan Li, Xing Li, Lei Chen et al.

While deep learning has achieved significant success in various domains, its application to logic circuit design has been limited due to complex constraints and strict feasibility requirement. However, a recent generative deep neural model, "Circuit Transformer", has shown promise in this area by enabling equivalence-preserving circuit transformation on a small scale. In this paper, we introduce a logic synthesis rewriting operator based on the Circuit Transformer model, named "ctrw" (Circuit Transformer Rewriting), which incorporates the following techniques: (1) a two-stage training scheme for the Circuit Transformer tailored for logic synthesis, with iterative improvement of optimality through self-improvement training; (2) integration of the Circuit Transformer with state-of-the-art rewriting techniques to address scalability issues, allowing for guided DAG-aware rewriting. Experimental results on the IWLS 2023 contest benchmark demonstrate the effectiveness of our proposed rewriting methods.

Xihan Li, Xing Li, Lei Chen et al.

Implementing Boolean functions with circuits consisting of logic gates is fundamental in digital computer design. However, the implemented circuit must be exactly equivalent, which hinders generative neural approaches on this task due to their occasionally wrong predictions. In this study, we introduce a generative neural model, the "Circuit Transformer", which eliminates such wrong predictions and produces logic circuits strictly equivalent to given Boolean functions. The main idea is a carefully designed decoding mechanism that builds a circuit step-by-step by generating tokens, which has beneficial "cutoff properties" that block a candidate token once it invalidate equivalence. In such a way, the proposed model works similar to typical LLMs while logical equivalence is strictly preserved. A Markov decision process formulation is also proposed for optimizing certain objectives of circuits. Experimentally, we trained an 88-million-parameter Circuit Transformer to generate equivalent yet more compact forms of input circuits, outperforming existing neural approaches on both synthetic and real world benchmarks, without any violation of equivalence constraints.

Xihan Li, Xiang Chen, Rasul Tutunov et al.

The Schrödinger equation is at the heart of modern quantum mechanics. Since exact solutions of the ground state are typically intractable, standard approaches approximate Schrödinger equation as forms of nonlinear generalized eigenvalue problems $F(V)V = SVΛ$ in which $F(V)$, the matrix to be decomposed, is a function of its own top-$k$ smallest eigenvectors $V$, leading to a "self-consistency problem". Traditional iterative methods heavily rely on high-quality initial guesses of $V$ generated via domain-specific heuristics methods based on quantum mechanics. In this work, we eliminate such a need for domain-specific heuristics by presenting a novel framework, Self-consistent Gradient-like Eigen Decomposition (SCGLED) that regards $F(V)$ as a special "online data generator", thus allows gradient-like eigendecomposition methods in streaming $k$-PCA to approach the self-consistency of the equation from scratch in an iterative way similar to online learning. With several critical numerical improvements, SCGLED is robust to initial guesses, free of quantum-mechanism-based heuristics designs, and neat in implementation. Our experiments show that it not only can simply replace traditional heuristics-based initial guess methods with large performance advantage (achieved averagely 25x more precise than the best baseline in similar wall time), but also is capable of finding highly precise solutions independently without any traditional iterative methods.

Xihan Li, Jia Zhang, Jiang Bian et al.

Resource balancing within complex transportation networks is one of the most important problems in real logistics domain. Traditional solutions on these problems leverage combinatorial optimization with demand and supply forecasting. However, the high complexity of transportation routes, severe uncertainty of future demand and supply, together with non-convex business constraints make it extremely challenging in the traditional resource management field. In this paper, we propose a novel sophisticated multi-agent reinforcement learning approach to address these challenges. In particular, inspired by the externalities especially the interactions among resource agents, we introduce an innovative cooperative mechanism for state and reward design resulting in more effective and efficient transportation. Extensive experiments on a simulated ocean transportation service demonstrate that our new approach can stimulate cooperation among agents and lead to much better performance. Compared with traditional solutions based on combinatorial optimization, our approach can give rise to a significant improvement in terms of both performance and stability.