VRPAgent: LLM-Driven Discovery of Heuristic Operators for Vehicle Routing Problems

Designing high-performing heuristics for vehicle routing problems (VRPs) is a complex task that requires both intuition and deep domain knowledge. Large language model (LLM)-based code generation has recently shown promise across many domains, but it still falls short of producing heuristics that rival those crafted by human experts. In this paper, we propose VRPAgent, a framework that integrates LLM-generated components into a metaheuristic and refines them through a novel genetic search. By using the LLM to generate problem-specific operators, embedded within a generic metaheuristic framework, VRPAgent keeps tasks manageable, guarantees correctness, and still enables the discovery of novel and powerful strategies. Across multiple problems, including the capacitated VRP, the VRP with time windows, and the prize-collecting VRP, our method discovers heuristic operators that outperform handcrafted methods and recent learning-based approaches while requiring only a single CPU core. To our knowledge, \VRPAgent is the first LLM-based paradigm to advance the state-of-the-art in VRPs, highlighting a promising future for automated heuristics discovery.

Diffusion Alignment as Variational Expectation-Maximization

Diffusion alignment aims to optimize diffusion models for the downstream objective. While existing methods based on reinforcement learning or direct backpropagation achieve considerable success in maximizing rewards, they often suffer from reward over-optimization and mode collapse. We introduce Diffusion Alignment as Variational Expectation-Maximization (DAV), a framework that formulates diffusion alignment as an iterative process alternating between two complementary phases: the E-step and the M-step. In the E-step, we employ test-time search to generate diverse and reward-aligned samples. In the M-step, we refine the diffusion model using samples discovered by the E-step. We demonstrate that DAV can optimize reward while preserving diversity for both continuous and discrete tasks: text-to-image synthesis and DNA sequence design.

Active Attacks: Red-teaming LLMs via Adaptive Environments

We address the challenge of generating diverse attack prompts for large language models (LLMs) that elicit harmful behaviors (e.g., insults, sexual content) and are used for safety fine-tuning. Rather than relying on manual prompt engineering, attacker LLMs can be trained with reinforcement learning (RL) to automatically generate such prompts using only a toxicity classifier as a reward. However, capturing a wide range of harmful behaviors is a significant challenge that requires explicit diversity objectives. Existing diversity-seeking RL methods often collapse to limited modes: once high-reward prompts are found, exploration of new regions is discouraged. Inspired by the active learning paradigm that encourages adaptive exploration, we introduce \textit{Active Attacks}, a novel RL-based red-teaming algorithm that adapts its attacks as the victim evolves. By periodically safety fine-tuning the victim LLM with collected attack prompts, rewards in exploited regions diminish, which forces the attacker to seek unexplored vulnerabilities. This process naturally induces an easy-to-hard exploration curriculum, where the attacker progresses beyond easy modes toward increasingly difficult ones. As a result, Active Attacks uncovers a wide range of local attack modes step by step, and their combination achieves wide coverage of the multi-mode distribution. Active Attacks, a simple plug-and-play module that seamlessly integrates into existing RL objectives, unexpectedly outperformed prior RL-based methods -- including GFlowNets, PPO, and REINFORCE -- by improving cross-attack success rates against GFlowNets, the previous state-of-the-art, from 0.07% to 31.28% (a relative gain greater than $400\ \times$) with only a 6% increase in computation. Our code is publicly available \href{https://github.com/dbsxodud-11/active_attacks}{here}.

TrajEvo: Trajectory Prediction Heuristics Design via LLM-driven Evolution

Trajectory prediction is a critical task in modeling human behavior, especially in safety-critical domains such as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy and generalizability. Although deep learning approaches offer improved performance, they typically suffer from high computational cost, limited explainability, and, importantly, poor generalization to out-of-distribution (OOD) scenarios. In this paper, we introduce TrajEvo, a framework that leverages Large Language Models (LLMs) to automatically design trajectory prediction heuristics. TrajEvo employs an evolutionary algorithm to generate and refine prediction heuristics from past trajectory data. We propose two key innovations: Cross-Generation Elite Sampling to encourage population diversity, and a Statistics Feedback Loop that enables the LLM to analyze and improve alternative predictions. Our evaluations demonstrate that TrajEvo outperforms existing heuristic methods across multiple real-world datasets, and notably surpasses both heuristic and deep learning methods in generalizing to an unseen OOD real-world dataset. TrajEvo marks a promising step toward the automated design of fast, explainable, and generalizable trajectory prediction heuristics. We release our source code to facilitate future research at https://github.com/ai4co/trajevo.

USPR: Learning a Unified Solver for Profiled Routing

The Profiled Vehicle Routing Problem (PVRP) extends the classical VRP by incorporating vehicle-client-specific preferences and constraints, reflecting real-world requirements such as zone restrictions and service-level preferences. While recent reinforcement learning (RL) solvers have shown promise, they require retraining for each new profile distribution, suffer from poor representation ability, and struggle to generalize to out-of-distribution instances. In this paper, we address these limitations by introducing USPR (Unified Solver for Profiled Routing), a novel framework that natively handles arbitrary profile types. USPR introduces three key innovations: (i) Profile Embeddings (PE) to encode any combination of profile types; (ii) Multi-Head Profiled Attention (MHPA), an attention mechanism that models rich interactions between vehicles and clients; (iii) Profile-aware Score Reshaping (PSR), which dynamically adjusts decoder logits using profile scores to improve generalization. Empirical results on diverse PVRP benchmarks demonstrate that USPR achieves state-of-the-art results among learning-based methods while offering significant gains in flexibility and computational efficiency. We make our source code publicly available to foster future research at https://github.com/ai4co/uspr.

TrajEvo: Designing Trajectory Prediction Heuristics via LLM-driven Evolution

Trajectory prediction is a crucial task in modeling human behavior, especially in fields as social robotics and autonomous vehicle navigation. Traditional heuristics based on handcrafted rules often lack accuracy, while recently proposed deep learning approaches suffer from computational cost, lack of explainability, and generalization issues that limit their practical adoption. In this paper, we introduce TrajEvo, a framework that leverages Large Language Models (LLMs) to automatically design trajectory prediction heuristics. TrajEvo employs an evolutionary algorithm to generate and refine prediction heuristics from past trajectory data. We introduce a Cross-Generation Elite Sampling to promote population diversity and a Statistics Feedback Loop allowing the LLM to analyze alternative predictions. Our evaluations show TrajEvo outperforms previous heuristic methods on the ETH-UCY datasets, and remarkably outperforms both heuristics and deep learning methods when generalizing to the unseen SDD dataset. TrajEvo represents a first step toward automated design of fast, explainable, and generalizable trajectory prediction heuristics. We make our source code publicly available to foster future research at https://github.com/ai4co/trajevo.

The Iterative Chainlet Partitioning Algorithm for the Traveling Salesman Problem with Drone and Neural Acceleration

This study introduces the Iterative Chainlet Partitioning (ICP) algorithm and its neural acceleration for solving the Traveling Salesman Problem with Drone (TSP-D). The proposed ICP algorithm decomposes a TSP-D solution into smaller segments called chainlets, each optimized individually by a dynamic programming subroutine. The chainlet with the highest improvement is updated and the procedure is repeated until no further improvement is possible. The number of subroutine calls is bounded linearly in problem size for the first iteration and remains constant in subsequent iterations, ensuring algorithmic scalability. Empirical results show that ICP outperforms existing algorithms in both solution quality and computational time. Tested over 1,059 benchmark instances, ICP yields an average improvement of 2.75% in solution quality over the previous state-of-the-art algorithm while reducing computational time by 79.8%. The procedure is deterministic, ensuring reliability without requiring multiple runs. The subroutine is the computational bottleneck in the already efficient ICP algorithm. To reduce the necessity of subroutine calls, we integrate a graph neural network (GNN) to predict incremental improvements. We demonstrate that the resulting Neuro ICP (NICP) achieves substantial acceleration while maintaining solution quality. Compared to ICP, NICP reduces the total computational time by 49.7%, while the objective function value increase is limited to 0.12%. The framework's adaptability to various operational constraints makes it a valuable foundation for developing efficient algorithms for truck-drone synchronized routing problems.

Neural Combinatorial Optimization for Real-World Routing

Vehicle Routing Problems (VRPs) are a class of NP-hard problems ubiquitous in several real-world logistics scenarios that pose significant challenges for optimization. Neural Combinatorial Optimization (NCO) has emerged as a promising alternative to classical approaches, as it can learn fast heuristics to solve VRPs. However, most research works in NCO for VRPs focus on simplified settings, which do not account for asymmetric distances and travel durations that cannot be derived by simple Euclidean distances and unrealistic data distributions, hindering real-world deployment. This work introduces RRNCO (Real Routing NCO) to bridge the gap of NCO between synthetic and real-world VRPs in the critical aspects of both data and modeling. First, we introduce a new, openly available dataset with real-world data containing a diverse dataset of locations, distances, and duration matrices from 100 cities, considering realistic settings with actual routing distances and durations obtained from Open Source Routing Machine (OSRM). Second, we propose a novel approach that efficiently processes both node and edge features through contextual gating, enabling the construction of more informed node embedding, and we finally incorporate an Adaptation Attention Free Module (AAFM) with neural adaptive bias mechanisms that effectively integrates not only distance matrices but also angular relationships between nodes, allowing our model to capture rich structural information. RRNCO achieves state-of-the-art results in real-world VRPs among NCO methods. We make our dataset and code publicly available at https://github.com/ai4co/real-routing-nco.

Human Implicit Preference-Based Policy Fine-tuning for Multi-Agent Reinforcement Learning in USV Swarm

Multi-Agent Reinforcement Learning (MARL) has shown promise in solving complex problems involving cooperation and competition among agents, such as an Unmanned Surface Vehicle (USV) swarm used in search and rescue, surveillance, and vessel protection. However, aligning system behavior with user preferences is challenging due to the difficulty of encoding expert intuition into reward functions. To address the issue, we propose a Reinforcement Learning with Human Feedback (RLHF) approach for MARL that resolves credit-assignment challenges through an Agent-Level Feedback system categorizing feedback into intra-agent, inter-agent, and intra-team types. To overcome the challenges of direct human feedback, we employ a Large Language Model (LLM) evaluator to validate our approach using feedback scenarios such as region constraints, collision avoidance, and task allocation. Our method effectively refines USV swarm policies, addressing key challenges in multi-agent systems while maintaining fairness and performance consistency.

Posterior Inference with Diffusion Models for High-dimensional Black-box Optimization

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of dimensionality and scaling to thousands of evaluations. Recently, leveraging generative models to solve black-box optimization problems has emerged as a promising framework. However, those methods often underperform compared to BO methods due to limited expressivity and difficulty of uncertainty estimation in high-dimensional spaces. To overcome these issues, we introduce \textbf{DiBO}, a novel framework for solving high-dimensional black-box optimization problems. Our method iterates two stages. First, we train a diffusion model to capture the data distribution and an ensemble of proxies to predict function values with uncertainty quantification. Second, we cast the candidate selection as a posterior inference problem to balance exploration and exploitation in high-dimensional spaces. Concretely, we fine-tune diffusion models to amortize posterior inference. Extensive experiments demonstrate that our method outperforms state-of-the-art baselines across various synthetic and real-world black-box optimization tasks. Our code is publicly available \href{https://github.com/umkiyoung/DiBO}{here}