EvoPINN: Agentic Discovery of Executable Algorithms for Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs), yet their performance heavily relies on the manual, trial-and-error engineering of neural representations, loss formulations, and optimization dynamics. While Large Language Models (LLMs) offer a promising avenue for automated design, unconstrained code generation often yields mathematically invalid or numerically unstable solutions under strict scientific computing constraints. To bridge this gap, we propose \textbf{EvoPINN}, an agentic framework that reformulates PINN development from labor-intensive manual design into a rigorous, execution-grounded algorithm discovery problem. EvoPINN navigates a modular search space by decoupling neural representations from training programs, utilizing an LLM agent to iteratively propose memory-conditioned programmatic modifications. To ensure scientific validity, all candidates undergo strict structural verification and budget-matched PDE evaluation. Extensive experiments across diverse PDE regimes (oscillatory, elliptic, dissipative, and nonlinear transport) demonstrate that EvoPINN discovers PDE-specialized learning algorithms that significantly reduce relative $L_{2}$ error compared to baselines. Crucially, EvoPINN autonomously invented SLRC-PINN, a novel architecture whose performance gains persist under rigorous parameter-matched comparisons, establishing the viability of execution-grounded agents for discovering genuinely new scientific computing mechanisms.

Autonomous Discovery of Wireless Communications Algorithms

Large language model (LLM)-driven evolutionary search is an emerging algorithm-discovery paradigm that has already produced novel results in several scientific fields. Yet its application to wireless communications remains largely unexplored. To bridge this gap, we introduce The AI Telco Engineer (AITE), a framework to autonomously design algorithms for complex communication problems, while navigating performance-complexity tradeoffs. We showcase AITE on two challenging physical-layer problems: designing an equalizer for an orthogonal time-frequency space (OTFS) system, and constructing a receiver algorithm for an orthogonal frequency-division multiplexing (OFDM) system using a custom constellation and operating without pilots. For the first task, AITE develops algorithms that outperform the best-known solutions while reducing computational latency by a factor of 3.6 compared to the strongest baseline. For the second task, it discovers the first explicit, explainable algorithms that achieve performance parity with state-of-the-art neural receivers. These results demonstrate the strong potential of LLM-driven evolutionary search for the autonomous discovery of next-generation wireless communications algorithms.

Program-Synthesis-Driven Autodesign of Universal Unitary Operators

We demonstrate that AI-driven program synthesis can autonomously discover fundamental strategies for decomposing unitary matrices in photonic networks. By extending DreamCoder to complex-valued linear algebra, the system generates decomposition programs achieving the minimal $N(N-1)/2$ Mach-Zehnder interferometers, distinct from both Reck and Clements architectures. Learned programs encode dimension-agnostic invariants: strategies discovered for $5 \times 5$ matrices generalize to higher dimensions such as $64 \times 64$. The discovered programs encode interpretable, dimension-agnostic construction rules. These rules generalize across matrix sizes without retraining, demonstrating that autonomous program synthesis can serve as a scalable paradigm for algorithm discovery and the automated design of universal unitary operators. Beyond universal decompositions, the system automatically exploits matrix structure to reduce the interferometer count below the universal theoretical bound. For instance, for Householder matrices, it discovers a dimension-independent rule that requires only $2N-3$ MZIs. This achieves linear, rather than quadratic, scaling and generalizes to arbitrary $N$ without retraining. For matrices obtained from the singular value decomposition of sparse matrices, reductions generally increase with sparsity, reaching up to 38% fewer MZIs than the universal theoretical bound $N(N-1)/2$ at 95% sparsity. These MZI reductions translate directly into practical hardware benefits for scalable photonic implementations. Taken together, the system functions as a single unified engine that discovers both universal decomposition rules and matrix-specific optimizations, without being provided with the structural or analytical properties of the input matrices.

LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms

Quantum chemistry simulations underpin modern materials discovery, yet their impact is limited by steep computational cost and dependence on fixed approximation schemes. Foundation models, such as machine-learned interatomic potentials, have accelerated parts of this workflow, but their reliance on large-scale pretraining restricts adaptability at the frontier of chemical space, where methodological innovation and sparse data are the norm. Agentic AI systems can automate existing simulation pipelines, yet they remain constrained by the predefined tools and algorithms they orchestrate. In response, we introduce LADeQ, an LLM-guided workflow that discovers, implements, and benchmarks candidate approximation algorithms at test-time within existing quantum chemistry codes. Rather than selecting from a predefined repertoire, LADeQ constructs candidate approximation schemes on demand, drawing on techniques from disciplines such as spatial statistics, circuit simulation, and kernel methods that have had little prior presence in electronic-structure theory. Because it builds on an out-of-the-box language model, LADeQ requires no task-specific pretraining or curated data, and the resulting implementations are transparent and inspectable, with explicitly traceable approximation errors that enable principled control of accuracy--efficiency trade-offs. We show that LADeQ accelerates coupled cluster singles and doubles (CCSD) and configuration interaction singles and doubles (CISD) calculations while keeping correlation-energy errors within user-specified tolerances, demonstrating autonomous, objective-driven discovery of approximation algorithms inside existing electronic-structure solvers.

MLEvolve: A Self-Evolving Framework for Automated Machine Learning Algorithm Discovery

Large language model (LLM) agents are increasingly applied to long-horizon tasks such as scientific discovery and machine learning engineering (MLE), where sustained self-evolution becomes a key capability. However, existing MLE agents suffer from inter-branch information isolation, memoryless search, and lack of hierarchical control, which together hinder long-horizon optimization. We present MLEvolve, an LLM-based self-evolving multi-agent framework for end-to-end machine learning algorithm discovery. By extending tree search to Progressive MCGS, MLEvolve enables cross-branch information flow through graph-based reference edges and gradually shifts the search from broad exploration to focused exploitation with an entropy-inspired progressive schedule. To allow the agent to evolve with accumulated experience, we introduce Retrospective Memory, which combines a cold-start domain knowledge base with a dynamic global memory for task-specific experience retrieval and reuse. For stable long-horizon iteration, we further decouple strategic planning from code generation with adaptive coding modes. Evaluation on MLE-Bench shows that MLEvolve achieves state-of-the-art performance across multiple dimensions including average medal rate and valid submission rate under a 12-hour budget (half the standard runtime). Moreover, MLEvolve also outperforms specialized algorithm discovery methods including AlphaEvolve on mathematical algorithm optimization tasks, demonstrating strong cross-domain generalization. Our code is available at https://github.com/InternScience/MLEvolve.

SeaEvo: Advancing Algorithm Discovery with Strategy Space Evolution

LLM-guided evolutionary search has emerged as a promising paradigm for automated algorithm discovery, yet most systems track search progress primarily through executable programs and scalar fitness. Even when natural-language reflection is used, it is often used locally in mutation prompts or stored without an explicit population-level organization of strategic directions. As a result, evolutionary search can struggle to distinguish syntactically different implementations of the same idea, preserve lower-fitness but strategically promising directions, or detect when an entire family of strategies has saturated. We introduce \model, a modular strategy-space layer that elevates natural-language strategy descriptions from transient prompt context to first-class population-level evolutionary state in LLM-driven program search. \model augments each candidate program with an explicit natural language strategy description and uses this representation in three ways: Strategy Articulation turns mutation into a diagnose-direct-implement process; Stratified Experience Retrieval organizes the archive into strategy clusters and selects inspirations by behavioral complementarity; and Strategic Landscape Navigation periodically summarizes effective, saturated, and underexplored strategy families to guide future mutations. Across mathematical algorithm discovery, systems optimization, and agent-scaffold benchmarks, \model improves the underlying evolutionary backbones in most settings, with particularly large gains (21% relative improvement) on open-ended system optimization tasks. These results suggest that persistent strategy representations provide a practical mechanism for improving the robustness and efficiency of LLM-guided evolutionary search, suggesting a path toward compound AI systems that accumulate algorithmic knowledge over time.