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Several recently devised machine learning (ML) algorithms have shown improved accuracy for various predictive problems. Model searches, which explore to find an optimal ML algorithm and hyperparameter values for the target problem, play a…
Iterative compilation is a widely adopted technique to optimize programs for different constraints such as performance, code size and power consumption in rapidly evolving hardware and software environments. However, in case of statically…
We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They…
Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing…
Large language models (LLMs) have recently shown strong coding abilities, enabling not only static code generation but also iterative code self-evolving through agentic frameworks. Recently, AlphaEvolve \cite{novikov2025alphaevolve}…
A major challenge in the deployment of scientific software solutions is the adaptation of research prototypes to production-grade code. While high-level languages like MATLAB are useful for rapid prototyping, they lack the resource…
The current trends in next-generation exascale systems go towards integrating a wide range of specialized (co-)processors into traditional supercomputers. Due to the efficiency of heterogeneous systems in terms of Watts and FLOPS per…
Writing high-performance code requires significant expertise in the programming language, compiler optimizations, and hardware knowledge. This often leads to poor productivity and portability and is inconvenient for a non-programmer…
Modern compilers typically provide hundreds of options to optimize program performance, but users often cannot fully leverage them due to the huge number of options. While standard optimization combinations (e.g., -O3) provide reasonable…
Achieving robust networks is a challenging problem due to its NP-hard nature and complex solution space. Current methods, from handcrafted feature extraction to deep learning, have made progress but remain rigid, requiring manual design and…
Recent advances in code generation models have unlocked unprecedented opportunities for automating feature engineering, yet their adoption in real-world ML teams remains constrained by critical challenges: (i) the scarcity of datasets…
The effectiveness of the machine learning methods for real-world tasks depends on the proper structure of the modeling pipeline. The proposed approach is aimed to automate the design of composite machine learning pipelines, which is…
Self-evolving memory systems are unprecedentedly reshaping the evolutionary paradigm of large language model (LLM)-based agents. Prior work has predominantly relied on manually engineered memory architectures to store trajectories, distill…
Algorithmic discovery has traditionally relied on human ingenuity and extensive experimentation. Here we investigate whether a prominent scientific computing algorithm, the Kalman Filter, can be discovered through an automated, data-driven,…
Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…
Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where…
This position paper argues that optimization problem solving can transition from expert-dependent to evolutionary agentic workflows. Traditional optimization practices rely on human specialists for problem formulation, algorithm selection,…
Designing algorithms with provable guarantees that also work well in practice remains difficult, requiring both mathematical reasoning and careful implementation. Existing approaches that bridge worst-case theory and empirical performance,…
AlphaEvolve and FunSearch have demonstrated the potential of combining large language models (LLMs) with evolutionary search for automated algorithm discovery. However, discovery success is shaped not only by model capability but also…
Automated heuristic design (AHD) has gained considerable attention for its potential to automate the development of effective heuristics. The recent advent of large language models (LLMs) has paved a new avenue for AHD, with initial efforts…