From Understanding to Excelling: Template-Free Algorithm Design through Structural-Functional Co-Evolution

Large language models (LLMs) have greatly accelerated the automation of algorithm generation and optimization. However, current methods such as EoH and FunSearch mainly rely on predefined templates and expert-specified functions that focus solely on the local evolution of key functionalities. Consequently, they fail to fully leverage the synergistic benefits of the overall architecture and the potential of global optimization. In this paper, we introduce an end-to-end algorithm generation and optimization framework based on LLMs. Our approach utilizes the deep semantic understanding of LLMs to convert natural language requirements or human-authored papers into code solutions, and employs a two-dimensional co-evolution strategy to optimize both functional and structural aspects. This closed-loop process spans problem analysis, code generation, and global optimization, automatically identifying key algorithm modules for multi-level joint optimization and continually enhancing performance and design innovation. Extensive experiments demonstrate that our method outperforms traditional local optimization approaches in both performance and innovation, while also exhibiting strong adaptability to unknown environments and breakthrough potential in structural design. By building on human research, our framework generates and optimizes novel algorithms that surpass those designed by human experts, broadening the applicability of LLMs for algorithm design and providing a novel solution pathway for automated algorithm development.

L2R: Learning to Reduce Search Space for Generalizable Neural Routing Solver

Constructive neural combinatorial optimization (NCO) has attracted growing research attention due to its ability to solve complex routing problems without relying on handcrafted rules. However, existing NCO methods face significant challenges in generalizing to large-scale problems due to high computational complexity and inefficient capture of structural patterns. To address this issue, we propose a novel learning-based search space reduction method that adaptively selects a small set of promising candidate nodes at each step of the constructive NCO process. Unlike traditional methods that rely on fixed heuristics, our selection model dynamically prioritizes nodes based on learned patterns, significantly reducing the search space while maintaining solution quality. Experimental results demonstrate that our method, trained solely on 100-node instances from uniform distribution, generalizes remarkably well to large-scale Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) instances with up to 1 million nodes from the uniform distribution and over 80K nodes from other distributions.

Destroy and Repair Using Hyper Graphs for Routing

Recent advancements in Neural Combinatorial Optimization (NCO) have shown promise in solving routing problems like the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) without handcrafted designs. Research in this domain has explored two primary categories of methods: iterative and non-iterative. While non-iterative methods struggle to generate near-optimal solutions directly, iterative methods simplify the task by learning local search steps. However, existing iterative methods are often limited by restricted neighborhood searches, leading to suboptimal results. To address this limitation, we propose a novel approach that extends the search to larger neighborhoods by learning a destroy-and-repair strategy. Specifically, we introduce a Destroy-and-Repair framework based on Hyper-Graphs (DRHG). This framework reduces consecutive intact edges to hyper-edges, allowing the model to pay more attention to the destroyed part and decrease the complexity of encoding all nodes. Experiments demonstrate that DRHG achieves stateof-the-art performance on TSP with up to 10,000 nodes and shows strong generalization to real-world TSPLib and CVRPLib problems.

Gradient-Based Multi-Objective Deep Learning: Algorithms, Theories, Applications, and Beyond

Multi-objective optimization (MOO) in deep learning aims to simultaneously optimize multiple conflicting objectives, a challenge frequently encountered in areas like multi-task learning and multi-criteria learning. Recent advancements in gradient-based MOO methods have enabled the discovery of diverse types of solutions, ranging from a single balanced solution to finite or even infinite Pareto sets, tailored to user needs. These developments have broad applications across domains such as reinforcement learning, computer vision, recommendation systems, and large language models. This survey provides the first comprehensive review of gradient-based MOO in deep learning, covering algorithms, theories, and practical applications. By unifying various approaches and identifying critical challenges, it serves as a foundational resource for driving innovation in this evolving field. A comprehensive list of MOO algorithms in deep learning is available at \url{https://github.com/Baijiong-Lin/Awesome-Multi-Objective-Deep-Learning}.

MOS-Attack: A Scalable Multi-objective Adversarial Attack Framework

Crafting adversarial examples is crucial for evaluating and enhancing the robustness of Deep Neural Networks (DNNs), presenting a challenge equivalent to maximizing a non-differentiable 0-1 loss function. However, existing single objective methods, namely adversarial attacks focus on a surrogate loss function, do not fully harness the benefits of engaging multiple loss functions, as a result of insufficient understanding of their synergistic and conflicting nature. To overcome these limitations, we propose the Multi-Objective Set-based Attack (MOS Attack), a novel adversarial attack framework leveraging multiple loss functions and automatically uncovering their interrelations. The MOS Attack adopts a set-based multi-objective optimization strategy, enabling the incorporation of numerous loss functions without additional parameters. It also automatically mines synergistic patterns among various losses, facilitating the generation of potent adversarial attacks with fewer objectives. Extensive experiments have shown that our MOS Attack outperforms single-objective attacks. Furthermore, by harnessing the identified synergistic patterns, MOS Attack continues to show superior results with a reduced number of loss functions.

CoEvo: Continual Evolution of Symbolic Solutions Using Large Language Models

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence, capable of processing and understanding extensive human knowledge to enhance problem-solving across various domains. This paper explores the potential of LLMs to drive the discovery of symbolic solutions within scientific and engineering disciplines, where such solutions are crucial for advancing theoretical and practical applications. We propose a novel framework that utilizes LLMs in an evolutionary search methodology, augmented by a dynamic knowledge library that integrates and refines insights in an \textit{open-ended manner}. This approach aims to tackle the dual challenges of efficiently navigating complex symbolic representation spaces and leveraging both existing and newly generated knowledge to foster open-ended innovation. By enabling LLMs to interact with and expand upon a knowledge library, we facilitate the continuous generation of novel solutions in diverse forms such as language, code, and mathematical expressions. Our experimental results demonstrate that this method not only enhances the efficiency of searching for symbolic solutions but also supports the ongoing discovery process, akin to human scientific endeavors. This study represents a first effort in conceptualizing the search for symbolic solutions as a lifelong, iterative process, marking a significant step towards harnessing AI in the perpetual pursuit of scientific and engineering breakthroughs. We have open-sourced our code and data, please visit \url{https://github.com/pgg3/CoEvo} for more information.

LLM4AD: A Platform for Algorithm Design with Large Language Model

We introduce LLM4AD, a unified Python platform for algorithm design (AD) with large language models (LLMs). LLM4AD is a generic framework with modularized blocks for search methods, algorithm design tasks, and LLM interface. The platform integrates numerous key methods and supports a wide range of algorithm design tasks across various domains including optimization, machine learning, and scientific discovery. We have also designed a unified evaluation sandbox to ensure a secure and robust assessment of algorithms. Additionally, we have compiled a comprehensive suite of support resources, including tutorials, examples, a user manual, online resources, and a dedicated graphical user interface (GUI) to enhance the usage of LLM4AD. We believe this platform will serve as a valuable tool for fostering future development in the merging research direction of LLM-assisted algorithm design.

Provably Transformers Harness Multi-Concept Word Semantics for Efficient In-Context Learning

Transformer-based large language models (LLMs) have displayed remarkable creative prowess and emergence capabilities. Existing empirical studies have revealed a strong connection between these LLMs' impressive emergence abilities and their in-context learning (ICL) capacity, allowing them to solve new tasks using only task-specific prompts without further fine-tuning. On the other hand, existing empirical and theoretical studies also show that there is a linear regularity of the multi-concept encoded semantic representation behind transformer-based LLMs. However, existing theoretical work fail to build up an understanding of the connection between this regularity and the innovative power of ICL. Additionally, prior work often focuses on simplified, unrealistic scenarios involving linear transformers or unrealistic loss functions, and they achieve only linear or sub-linear convergence rates. In contrast, this work provides a fine-grained mathematical analysis to show how transformers leverage the multi-concept semantics of words to enable powerful ICL and excellent out-of-distribution ICL abilities, offering insights into how transformers innovate solutions for certain unseen tasks encoded with multiple cross-concept semantics. Inspired by empirical studies on the linear latent geometry of LLMs, the analysis is based on a concept-based low-noise sparse coding prompt model. Leveraging advanced techniques, this work showcases the exponential 0-1 loss convergence over the highly non-convex training dynamics, which pioneeringly incorporates the challenges of softmax self-attention, ReLU-activated MLPs, and cross-entropy loss. Empirical simulations corroborate the theoretical findings.

Deep Uncertainty-aware Tracking for Maneuvering Targets

When tracking maneuvering targets, model-driven approaches encounter difficulties in comprehensively delineating complex real-world scenarios and are prone to model mismatch when the targets maneuver. Meanwhile, contemporary data-driven methods have overlooked measurements' confidence, markedly escalating the challenge of fitting a mapping from measurement sequences to target state sequences. To address these issues, this paper presents a deep maneuvering target tracking methodology based on target state space projection. The proposed methodology initially establishes a projection from the target measurement sequence to the target state space by formulating the probability density function of measurement error and samples the distribution information of measurement noise within the target state space as a measurement representation. Under this representation, the sequential regression task of target state estimation can be transmuted into a task of detecting the target location in the state space. Subsequently, a deep detection network is devised to accomplish target location detection in the target state space. Finally, a loss function is designed to facilitate the network's training for attaining the desired network performance. Simulation experiments suggest that the proposed method can maintain satisfactory tracking performance even when the target maneuvers, and can rapidly converge and achieve higher estimation accuracy compared with existing methods after the target maneuvers.

Multi-frame Detection via Graph Neural Networks: A Link Prediction Approach

Multi-frame detection algorithms can effectively utilize the correlation between consecutive echoes to improve the detection performance of weak targets. Existing efficient multi-frame detection algorithms are typically based on three sequential steps: plot extraction via a relative low primary threshold, track search and track detection. However, these three-stage processing algorithms may result in a notable loss of detection performance and do not fully leverage the available echo information across frames. As to applying graph neural networks in multi-frame detection, the algorithms are primarily based on node classification tasks, which cannot directly output target tracks. In this paper, we reformulate the multi-frame detection problem as a link prediction task in graphs. First, we perform a rough association of multi-frame observations that exceed the low threshold to construct observation association graphs. Subsequently, a multi-feature link prediction network is designed based on graph neural networks, which integrates multi-dimensional information, including echo structure, Doppler information, and spatio-temporal coupling of plots. By leveraging the principle of link prediction, we unifies the processes of track search and track detection into one step to reduce performance loss and directly output target tracks. Experimental results show that, compared with traditional single-frame and multi-frame detection algorithms, the proposed algorithm improves the detection performance of weak targets while suppressing false alarms. Additionally, interpretable analysis indicates that the designed network effectively integrates the utilized features, allowing for accurate associations between targets and false alarms.