Daily Papers

We address 2D floorplan reconstruction from 3D scans. Existing approaches typically employ heuristically designed multi-stage pipelines. Instead, we formulate floorplan reconstruction as a single-stage structured prediction task: find a variable-size set of polygons, which in turn are variable-length sequences of ordered vertices. To solve it we develop a novel Transformer architecture that generates polygons of multiple rooms in parallel, in a holistic manner without hand-crafted intermediate stages. The model features two-level queries for polygons and corners, and includes polygon matching to make the network end-to-end trainable. Our method achieves a new state-of-the-art for two challenging datasets, Structured3D and SceneCAD, along with significantly faster inference than previous methods. Moreover, it can readily be extended to predict additional information, i.e., semantic room types and architectural elements like doors and windows. Our code and models are available at: https://github.com/ywyue/RoomFormer.

Deep neural networks are vulnerable to adversarial examples, dictating the imperativeness to test the model's robustness before deployment. Transfer-based attackers craft adversarial examples against surrogate models and transfer them to victim models deployed in the black-box situation. To enhance the adversarial transferability, structure-based attackers adjust the backpropagation path to avoid the attack from overfitting the surrogate model. However, existing structure-based attackers fail to explore the convolution module in CNNs and modify the backpropagation graph heuristically, leading to limited effectiveness. In this paper, we propose backPropagation pAth Search (PAS), solving the aforementioned two problems. We first propose SkipConv to adjust the backpropagation path of convolution by structural reparameterization. To overcome the drawback of heuristically designed backpropagation paths, we further construct a DAG-based search space, utilize one-step approximation for path evaluation and employ Bayesian Optimization to search for the optimal path. We conduct comprehensive experiments in a wide range of transfer settings, showing that PAS improves the attack success rate by a huge margin for both normally trained and defense models.

Transformers yield state-of-the-art results across many tasks. However, their heuristically designed architecture impose huge computational costs during inference. This work aims on challenging the common design philosophy of the Vision Transformer (ViT) model with uniform dimension across all the stacked blocks in a model stage, where we redistribute the parameters both across transformer blocks and between different structures within the block via the first systematic attempt on global structural pruning. Dealing with diverse ViT structural components, we derive a novel Hessian-based structural pruning criteria comparable across all layers and structures, with latency-aware regularization for direct latency reduction. Performing iterative pruning on the DeiT-Base model leads to a new architecture family called NViT (Novel ViT), with a novel parameter redistribution that utilizes parameters more efficiently. On ImageNet-1K, NViT-Base achieves a 2.6x FLOPs reduction, 5.1x parameter reduction, and 1.9x run-time speedup over the DeiT-Base model in a near lossless manner. Smaller NViT variants achieve more than 1% accuracy gain at the same throughput of the DeiT Small/Tiny variants, as well as a lossless 3.3x parameter reduction over the SWIN-Small model. These results outperform prior art by a large margin. Further analysis is provided on the parameter redistribution insight of NViT, where we show the high prunability of ViT models, distinct sensitivity within ViT block, and unique parameter distribution trend across stacked ViT blocks. Our insights provide viability for a simple yet effective parameter redistribution rule towards more efficient ViTs for off-the-shelf performance boost.

The numerical solution of partial differential equations (PDEs) is difficult, having led to a century of research so far. Recently, there have been pushes to build neural--numerical hybrid solvers, which piggy-backs the modern trend towards fully end-to-end learned systems. Most works so far can only generalize over a subset of properties to which a generic solver would be faced, including: resolution, topology, geometry, boundary conditions, domain discretization regularity, dimensionality, etc. In this work, we build a solver, satisfying these properties, where all the components are based on neural message passing, replacing all heuristically designed components in the computation graph with backprop-optimized neural function approximators. We show that neural message passing solvers representationally contain some classical methods, such as finite differences, finite volumes, and WENO schemes. In order to encourage stability in training autoregressive models, we put forward a method that is based on the principle of zero-stability, posing stability as a domain adaptation problem. We validate our method on various fluid-like flow problems, demonstrating fast, stable, and accurate performance across different domain topologies, equation parameters, discretizations, etc., in 1D and 2D.

Aligning Text-to-Image (T2I) generation models with human preferences increasingly relies on image reward models that score or rank generated images according to prompt alignment and perceptual quality. Existing reward models are commonly trained as Bradley-Terry (BT) preference models on large-scale human preference corpora, making them costly to train, difficult to adapt, and opaque in their evaluation criteria. Meanwhile, Vision-Language Model (VLM) judges can provide more fine-grained assessments through textual rubrics, but their manually designed or heuristically generated scoring rules may fail to reliably reflect human preferences. In this paper, we propose AutoRubric-T2I, the first rubric learning framework in T2I that automatically synthesizes and selects explicit rubrics for guiding VLM judges. AutoRubric-T2I first synthesizes reasoning traces from preference pairs into candidate rubrics, then uses a VLM judge to score paired images under each rubric, producing pairwise rubric-score differences for preference learning. To remove noisy and redundant rules, we further employ a ell_1-Regularized Logistic Regression Refiner, which selects the Top-N most discriminative rubrics. Extensive evaluations show that AutoRubric-T2I produces high-quality, interpretable reward signals using less than 0.01% of the annotated preference data, substantially reducing the need for large-scale reward-model training. On image reward benchmarks such as MMRB2, AutoRubric-T2I outperforms strong reward model baselines. We further validate AutoRubric-T2I as an RL reward on downstream T2I tasks, including TIIF and UniGenBench++, where it improves generation quality over scalar reward models using the Flow-GRPO pipeline on diffusion models.

Reinforcement learning pipelines for Large Language Model (LLM) training often rely on manually redesigned environments between stages, requiring practitioners to heuristically infer which configuration will best improve the current policy. To automate this process, we propose the LLM-as-Environment-Engineer framework in which the current policy model analyzes failure trajectories together with contextual information and proposes modifications to the next-stage training environment configuration. We also introduce MAPF-FrozenLake, a controllable testbed whose generator exposes multi-dimensional environment configurations, making it suitable for studying and benchmarking environment redesign. On this testbed, we condition the environment engineer on structured summaries of policy behavior, failure cases, and environment statistics, from which it produces the configuration for the next training stage. With Qwen3-4B as the backbone, our framework achieves the strongest aggregate performance on our benchmarks, outperforming larger proprietary LLMs (e.g., GPT, Gemini) and fixed-environment training baselines. We further analyze which forms of context are most effective, finding that successful environment updates rely on failure evidence and preserve configurations that already work. Interestingly, the current RL checkpoint serves as a better environment engineer than the original base model, suggesting that policy learning improves the model's ability to diagnose its remaining weaknesses.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e., LLM-AHD), can autonomously discover high-performing heuristics. However, existing LLM-AHD frameworks typically treat LLMs as passive generators within fixed workflows, where the model generates heuristics from manually designed, limited context. Such context may fail to capture state-dependent information (e.g., specific failure modes), leading to inefficient trial-and-error exploration. To overcome these limitations, we propose AHD Agent, a novel tool-integrated, multi-turn framework that empowers LLMs to proactively decide whether to generate heuristics or invoke tools to retrieve targeted evidence from the solving environment. To effectively train such a dynamic decision-making agent, we introduce an agentic reinforcement learning (RL) system, which leverages a novel environment synthesis pipeline to optimize a compact model's generalizable AHD capabilities. Experiments across eight diverse domains, including four held-out tasks, demonstrate that our 4B-parameter agent matches or surpasses state-of-the-art baselines using much larger models, while requiring significantly fewer evaluations. Model and inference scaling analysis further reveals that AHD Agent offers an effective trajectory toward truly autonomous heuristic design.

Heuristic functions are essential to the performance of tree search algorithms such as A*, where their accuracy and efficiency directly impact search outcomes. Traditionally, such heuristics are handcrafted, requiring significant expertise. Recent advances in large language models (LLMs) and evolutionary frameworks have opened the door to automating heuristic design. In this paper, we extend the Evolution of Heuristics (EoH) framework to investigate the automated generation of guiding heuristics for A* search. We introduce a novel domain-agnostic prompt augmentation strategy that includes the A* code into the prompt to leverage in-context learning, named Algorithmic - Contextual EoH (A-CEoH). To evaluate the effectiveness of A-CeoH, we study two problem domains: the Unit-Load Pre-Marshalling Problem (UPMP), a niche problem from warehouse logistics, and the classical sliding puzzle problem (SPP). Our computational experiments show that A-CEoH can significantly improve the quality of the generated heuristics and even outperform expert-designed heuristics.

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

Constraint programming is known for being an efficient approach for solving combinatorial problems. Important design choices in a solver are the branching heuristics, which are designed to lead the search to the best solutions in a minimum amount of time. However, developing these heuristics is a time-consuming process that requires problem-specific expertise. This observation has motivated many efforts to use machine learning to automatically learn efficient heuristics without expert intervention. To the best of our knowledge, it is still an open research question. Although several generic variable-selection heuristics are available in the literature, the options for a generic value-selection heuristic are more scarce. In this paper, we propose to tackle this issue by introducing a generic learning procedure that can be used to obtain a value-selection heuristic inside a constraint programming solver. This has been achieved thanks to the combination of a deep Q-learning algorithm, a tailored reward signal, and a heterogeneous graph neural network architecture. Experiments on graph coloring, maximum independent set, and maximum cut problems show that our framework is able to find better solutions close to optimality without requiring a large amounts of backtracks while being generic.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting the search space to fixed heuristic forms. Such designs offer limited capacity for structural exploration, making it difficult to escape deep local optima in complex Combinatorial Optimization Problems (COPs). In this work, we propose G-LNS, a generative evolutionary framework that extends LLM-based AHD to the automated design of Large Neighborhood Search (LNS) operators. Unlike prior methods that evolve heuristics in isolation, G-LNS leverages LLMs to co-evolve tightly coupled pairs of destroy and repair operators. A cooperative evaluation mechanism explicitly captures their interaction, enabling the discovery of complementary operator logic that jointly performs effective structural disruption and reconstruction. Extensive experiments on challenging COP benchmarks, such as Traveling Salesman Problems (TSP) and Capacitated Vehicle Routing Problems (CVRP), demonstrate that G-LNS significantly outperforms LLM-based AHD methods as well as strong classical solvers. The discovered heuristics not only achieve near-optimal solutions with reduced computational budgets but also exhibit robust generalization across diverse and unseen instance distributions.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

Finding optimal solution paths for combinatorial puzzles like the Rubik's Cube, sliding tile puzzles, and Lights Out remains a classical challenge in artificial intelligence. Heuristic search algorithms, such as A* , guarantee path optimality only when using an admissible heuristic-one that never overestimates the true remaining cost-to-go. Deep reinforcement learning (RL) methods like DeepCubeA train deep neural networks to approximate cost-to-go heuristics. However, standard mean-squared error (MSE) training regularly yields overestimations, violating admissibility and compromising solution optimality. In this paper, we introduce a generalizable framework for learning validation-calibrated admissible neural heuristics. We train a value network using an underestimating Admissible Bellman Operator combined with an Asymmetric Loss function to penalize overestimation. To account for residual neural function approximation errors, we propose a post-hoc calibration safety offset computed over validation scrambles. We demonstrate that our calibrated neural heuristics achieve no observed admissibility violations under the evaluation protocol and preserve path optimality in practice while reducing search node expansions by up to 83.0% on a 2 by 2 Rubik's Cube, 19.9% on a 3 by 3 Lights Out grid, and 1.9% on an 8-Puzzle compared to standard analytical baselines.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

We consider enhancing large language models (LLMs) for complex planning tasks. While existing methods allow LLMs to explore intermediate steps to make plans, they either depend on unreliable self-verification or external verifiers to evaluate these steps, which demand significant data and computations. Here, we propose automated heuristics discovery (AutoHD), a novel approach that enables LLMs to explicitly generate heuristic functions to guide inference-time search, allowing accurate evaluation of intermediate states. These heuristic functions are further refined through a heuristic evolution process, improving their robustness and effectiveness. Our proposed method requires no additional model training or fine-tuning, and the explicit definition of heuristic functions generated by the LLMs provides interpretability and insights into the reasoning process. Extensive experiments across diverse benchmarks demonstrate significant gains over multiple baselines, including nearly twice the accuracy on some datasets, establishing our approach as a reliable and interpretable solution for complex planning tasks.

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on closed-ended questions prone to saturation and memorization, or subjective comparisons that lack consistency and rigor. In this work, we introduce HeuriGym, an agentic framework designed for evaluating heuristic algorithms generated by LLMs for combinatorial optimization problems, characterized by clearly defined objectives and expansive solution spaces. HeuriGym empowers LLMs to propose heuristics, receive evaluative feedback via code execution, and iteratively refine their solutions. We evaluate nine state-of-the-art models on nine problems across domains such as computer systems, logistics, and biology, exposing persistent limitations in tool use, planning, and adaptive reasoning. To quantify performance, we propose the Quality-Yield Index (QYI), a metric that captures both solution pass rate and quality. Even top models like GPT-o4-mini-high and Gemini-2.5-Pro attain QYI scores of only 0.6, well below the expert baseline of 1. Our open-source benchmark aims to guide the development of LLMs toward more effective and realistic problem-solving in scientific and engineering domains.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

Intrigued by the claims of emergent reasoning capabilities in LLMs trained on general web corpora, in this paper, we set out to investigate their planning capabilities. We aim to evaluate (1) the effectiveness of LLMs in generating plans autonomously in commonsense planning tasks and (2) the potential of LLMs as a source of heuristic guidance for other agents (AI planners) in their planning tasks. We conduct a systematic study by generating a suite of instances on domains similar to the ones employed in the International Planning Competition and evaluate LLMs in two distinct modes: autonomous and heuristic. Our findings reveal that LLMs' ability to generate executable plans autonomously is rather limited, with the best model (GPT-4) having an average success rate of ~12% across the domains. However, the results in the heuristic mode show more promise. In the heuristic mode, we demonstrate that LLM-generated plans can improve the search process for underlying sound planners and additionally show that external verifiers can help provide feedback on the generated plans and back-prompt the LLM for better plan generation.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Autonomous AI Research promises to accelerate the scientific progress of machine learning. To realise this goal, current Large Language Model (LLM)-based agents need to go beyond just writing code, to mastering the exploration of simultaneously performant, diverse and novel ideas. To this end, we introduce Heuresis, a framework that abstracts the research pipeline into a set of general and composable primitives, enabling open-ended scientific exploration in machine learning research. We implement six search strategies: a greedy baseline, two archive-based (MAP-Elites, Go-Explore), one evolutionary (Islands), and two divergent (Curiosity, Omni), and evaluate them across three axes (Quality, Diversity, and Novelty) on three domains (LLM Pretraining, On-Policy RL, and Model Unlearning), totalling 3,222 scored runs. We find that completely novel ideas are rare. No idea across our scored runs is rated as "Original", and only a few achieve only "Minor Similarity" to prior work. Moreover, novel ideas never approach the highest-performing known-recipe scores. Across all six strategies and three domains, only one such idea lands in the top-10 by quality. We also observed agents resorting to a variety of reward-hacking techniques during execution (40 confirmed fabrications across 1,628 scored runs), and detecting them was necessary to keep the search faithful to the task. Our results show that while current search and Quality-Diversity strategies enable us to steer where the generated ideas land on the quality, diversity, and novelty axes, they do not expand the quality-novelty frontier. Bridging this gap is the open challenge towards the ultimate goal of perpetual, autonomous scientific progress. Code is available at github.com/a-antoniades/Heuresis.

Since the adoption of large language models (LLMs) for text evaluation has become increasingly prevalent in the field of natural language processing (NLP), a series of existing works attempt to optimize the prompts for LLM evaluators to improve their alignment with human judgment. However, their efforts are limited to optimizing individual factors of evaluation prompts, such as evaluation criteria or output formats, neglecting the combinatorial impact of multiple factors, which leads to insufficient optimization of the evaluation pipeline. Nevertheless, identifying well-behaved prompting strategies for adjusting multiple factors requires extensive enumeration. To this end, we comprehensively integrate 8 key factors for evaluation prompts and propose a novel automatic prompting strategy optimization method called Heuristic Prompting Strategy Search (HPSS). Inspired by the genetic algorithm, HPSS conducts an iterative search to find well-behaved prompting strategies for LLM evaluators. A heuristic function is employed to guide the search process, enhancing the performance of our algorithm. Extensive experiments across four evaluation tasks demonstrate the effectiveness of HPSS, consistently outperforming both human-designed evaluation prompts and existing automatic prompt optimization methods. Our code is available at https://github.com/thu-coai/HPSS.

Domain-independent heuristics have long been a cornerstone of AI planning, offering general solutions applicable across a wide range of tasks without requiring domain-specific engineering. However, the advent of large language models (LLMs) presents an opportunity to generate heuristics tailored to specific planning problems, potentially challenging the necessity of domain independence as a strict design principle. In this paper, we explore the use of LLMs to automatically derive planning heuristics from task descriptions represented as successor generators and goal tests written in general purpose programming language. We investigate the trade-offs between domain-specific LLM-generated heuristics and traditional domain-independent methods in terms of computational efficiency and explainability. Our experiments demonstrate that LLMs can create heuristics that achieve state-of-the-art performance on some standard IPC domains, as well as their ability to solve problems that lack an adequate Planning Domain Definition Language ({\sc pddl}) representation. We discuss whether these results signify a paradigm shift and how they can complement existing approaches.

Tackling complex optimization problems often relies on expert-designed heuristics, typically crafted through extensive trial and error. Recent advances demonstrate that large language models (LLMs), when integrated into well-designed evolutionary search frameworks, can autonomously discover high-performing heuristics at a fraction of the traditional cost. However, existing approaches predominantly rely on verbal guidance, i.e., manipulating the prompt generation process, to steer the evolution of heuristics, without adapting the underlying LLM. We propose a hybrid framework that combines verbal and numerical guidance, the latter achieved by fine-tuning the LLM via reinforcement learning based on the quality of generated heuristics. This joint optimization allows the LLM to co-evolve with the search process. Our method outperforms state-of-the-art (SOTA) baselines across various optimization tasks, running locally on a single 24GB GPU using a 7B model with INT4 quantization. It surpasses methods that rely solely on verbal guidance, even when those use significantly more powerful API-based models.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

Go-Explore is a powerful family of algorithms designed to solve hard-exploration problems, built on the principle of archiving discovered states, and iteratively returning to and exploring from the most promising states. This approach has led to superhuman performance across a wide variety of challenging problems including Atari games and robotic control, but requires manually designing heuristics to guide exploration, which is time-consuming and infeasible in general. To resolve this, we propose Intelligent Go-Explore (IGE) which greatly extends the scope of the original Go-Explore by replacing these heuristics with the intelligence and internalized human notions of interestingness captured by giant foundation models (FMs). This provides IGE with a human-like ability to instinctively identify how interesting or promising any new state is (e.g. discovering new objects, locations, or behaviors), even in complex environments where heuristics are hard to define. Moreover, IGE offers the exciting and previously impossible opportunity to recognize and capitalize on serendipitous discoveries that cannot be predicted ahead of time. We evaluate IGE on a range of language-based tasks that require search and exploration. In Game of 24, a multistep mathematical reasoning problem, IGE reaches 100% success rate 70.8% faster than the best classic graph search baseline. Next, in BabyAI-Text, a challenging partially observable gridworld, IGE exceeds the previous SOTA with orders of magnitude fewer online samples. Finally, in TextWorld, we show the unique ability of IGE to succeed in settings requiring long-horizon exploration where prior SOTA FM agents like Reflexion completely fail. Overall, IGE combines the tremendous strengths of FMs and the powerful Go-Explore algorithm, opening up a new frontier of research into creating more generally capable agents with impressive exploration capabilities.

Recent systems for optimizing prompts, programs, and ML workflows typically rely on explicit outer-loop controllers such as evolutionary search, bandits, or textual-gradient methods. We ask a fundamentally different question: how much of this search policy can be internalized by a single tool-using agent? We present ReASearch, a unified framework for reasoning-driven optimization in which the agent autonomously decides what to evaluate, how to diagnose failures, which edits to make, and when to verify or restart. Rather than serving only as a proposal generator guided by hand-designed heuristics, the agent actively analyzes outcomes, allocates budget, and refines its strategy over long horizons through persistent memory. With a shared agent loop and domain-specific tools, ReASearch instantiates the exact same scaffold to optimize prompts, programs, and ML workflows. Across 14 diverse tasks, it is competitive with and mostly better than specialized optimization systems, achieving gains of 2% to 40% over strong domain-specific baselines, and in some cases discovering solutions that improve on prior human best-known results. Crucially, we observe that complex search behaviors, which are typically implemented by explicit controllers, emerge naturally from the agent's reasoning process.

Interior design allows us to be who we are and live how we want - each design is as unique as our distinct personality. However, it is not trivial for non-professionals to express and materialize this since it requires aligning functional and visual expectations with the constraints of physical space; this renders interior design a luxury. To make it more accessible, we present I-Design, a personalized interior designer that allows users to generate and visualize their design goals through natural language communication. I-Design starts with a team of large language model agents that engage in dialogues and logical reasoning with one another, transforming textual user input into feasible scene graph designs with relative object relationships. Subsequently, an effective placement algorithm determines optimal locations for each object within the scene. The final design is then constructed in 3D by retrieving and integrating assets from an existing object database. Additionally, we propose a new evaluation protocol that utilizes a vision-language model and complements the design pipeline. Extensive quantitative and qualitative experiments show that I-Design outperforms existing methods in delivering high-quality 3D design solutions and aligning with abstract concepts that match user input, showcasing its advantages across detailed 3D arrangement and conceptual fidelity.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

Cognitive psychologists have documented that humans use cognitive heuristics, or mental shortcuts, to make quick decisions while expending less effort. While performing annotation work on crowdsourcing platforms, we hypothesize that such heuristic use among annotators cascades on to data quality and model robustness. In this work, we study cognitive heuristic use in the context of annotating multiple-choice reading comprehension datasets. We propose tracking annotator heuristic traces, where we tangibly measure low-effort annotation strategies that could indicate usage of various cognitive heuristics. We find evidence that annotators might be using multiple such heuristics, based on correlations with a battery of psychological tests. Importantly, heuristic use among annotators determines data quality along several dimensions: (1) known biased models, such as partial input models, more easily solve examples authored by annotators that rate highly on heuristic use, (2) models trained on annotators scoring highly on heuristic use don't generalize as well, and (3) heuristic-seeking annotators tend to create qualitatively less challenging examples. Our findings suggest that tracking heuristic usage among annotators can potentially help with collecting challenging datasets and diagnosing model biases.

Large Language Models (LLMs) have demonstrated impressive planning abilities due to their vast "world knowledge". Yet, obtaining plans that are both feasible (grounded in affordances) and cost-effective (in plan length), remains a challenge, despite recent progress. This contrasts with heuristic planning methods that employ domain knowledge (formalized in action models such as PDDL) and heuristic search to generate feasible, optimal plans. Inspired by this, we propose to combine the power of LLMs and heuristic planning by leveraging the world knowledge of LLMs and the principles of heuristic search. Our approach, SayCanPay, employs LLMs to generate actions (Say) guided by learnable domain knowledge, that evaluates actions' feasibility (Can) and long-term reward/payoff (Pay), and heuristic search to select the best sequence of actions. Our contributions are (1) a novel framing of the LLM planning problem in the context of heuristic planning, (2) integrating grounding and cost-effective elements into the generated plans, and (3) using heuristic search over actions. Our extensive evaluations show that our model surpasses other LLM planning approaches.

A commonly used heuristic in RL is experience replay (e.g.~lin1993reinforcement, mnih2015human), in which a learner stores and re-uses past trajectories as if they were sampled online. In this work, we initiate a rigorous study of this heuristic in the setting of tabular Q-learning. We provide a convergence rate guarantee, and discuss how it compares to the convergence of Q-learning depending on important parameters such as the frequency and number of replay iterations. We also provide theoretical evidence showing when we might expect this heuristic to strictly improve performance, by introducing and analyzing a simple class of MDPs. Finally, we provide some experiments to support our theoretical findings.

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

Solving NP-hard problems traditionally relies on heuristics, yet manually designing effective heuristics for complex problems remains a significant challenge. While recent advancements like FunSearch have shown that large language models (LLMs) can be integrated into evolutionary algorithms (EAs) for heuristic design, their potential is hindered by limitations in balancing exploitation and exploration. We introduce Quality-Uncertainty Balanced Evolution (QUBE), a novel approach that enhances LLM+EA methods by redefining the priority criterion within the FunSearch framework. QUBE employs the Quality-Uncertainty Trade-off Criterion (QUTC), based on our proposed Uncertainty-Inclusive Quality metric, to evaluate and guide the evolutionary process. Through extensive experiments on challenging NP-complete problems, QUBE demonstrates significant performance improvements over FunSearch and baseline methods. Our code are available at https://github.com/zzjchen/QUBE\_code.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

Long-horizon LLM agents accumulate tool results, files, plans, and user constraints that are too structured to be treated as a disposable text suffix. Current systems mostly rely on in-run heuristics such as chronological pruning and tool-output masking, or on final self-summary near a context limit. Heuristics are cheap but blind to future dependencies; summaries preserve narrative state but often hide exact evidence, locators, and editable artifacts. We present Self-GC, where GC denotes self-governing context while deliberately echoing garbage collection: the system does not merely reclaim unused tokens, but governs the lifecycle of agent context objects. Self-GC turns user turns, tool spans, and skill state into indexed objects; asks a side-channel planner to propose fold, mask, and prune actions; and lets the harness enforce recoverable sidecars, safe commit boundaries, and cache-aware commit. On a 33-session Hard Set, Self-GC prunes 43.95% of prefix tokens while leaving 84.85% of future continuations unaffected, compared with no-impact rates of 54.55% to 69.70% for heuristic baselines. On a 332-session production-derived suite, three planner backbones reach no-impact rates of 91.27% to 94.58%, while baselines remain at 77.71% to 87.46%. In production, an online account-level split reduces daytime average input tokens by 10% to 15%, with peak reductions near 20%. These results point to context management as runtime lifecycle control over indexed, recoverable objects rather than post hoc text cleanup.

Recent advancements in foundation models show promising capability in graphic design generation. Several studies have started employing Large Multimodal Models (LMMs) to evaluate graphic designs, assuming that LMMs can properly assess their quality, but it is unclear if the evaluation is reliable. One way to evaluate the quality of graphic design is to assess whether the design adheres to fundamental graphic design principles, which are the designer's common practice. In this paper, we compare the behavior of GPT-based evaluation and heuristic evaluation based on design principles using human annotations collected from 60 subjects. Our experiments reveal that, while GPTs cannot distinguish small details, they have a reasonably good correlation with human annotation and exhibit a similar tendency to heuristic metrics based on design principles, suggesting that they are indeed capable of assessing the quality of graphic design. Our dataset is available at https://cyberagentailab.github.io/Graphic-design-evaluation .

Large Language Models (LLMs) are increasingly utilized in autonomous decision-making, where they sample options from vast action spaces. However, the heuristics that guide this sampling process remain under-explored. We study this sampling behavior and show that this underlying heuristics resembles that of human decision-making: comprising a descriptive component (reflecting statistical norm) and a prescriptive component (implicit ideal encoded in the LLM) of a concept. We show that this deviation of a sample from the statistical norm towards a prescriptive component consistently appears in concepts across diverse real-world domains like public health, and economic trends. To further illustrate the theory, we demonstrate that concept prototypes in LLMs are affected by prescriptive norms, similar to the concept of normality in humans. Through case studies and comparison with human studies, we illustrate that in real-world applications, the shift of samples toward an ideal value in LLMs' outputs can result in significantly biased decision-making, raising ethical concerns.

Large language models systematically fail when a salient surface cue conflicts with an unstated feasibility constraint. We study this through a diagnose-measure-bridge-treat framework. Causal-behavioral analysis of the ``car wash problem'' across six models reveals approximately context-independent sigmoid heuristics: the distance cue exerts 8.7 to 38 times more influence than the goal, and token-level attribution shows patterns more consistent with keyword associations than compositional inference. The Heuristic Override Benchmark (HOB) -- 500 instances spanning 4 heuristic by 5 constraint families with minimal pairs and explicitness gradients -- demonstrates generality across 14 models: under strict evaluation (10/10 correct), no model exceeds 75%, and presence constraints are hardest (44%). A minimal hint (e.g., emphasizing the key object) recovers +15 pp on average, suggesting the failure lies in constraint inference rather than missing knowledge; 12/14 models perform worse when the constraint is removed (up to -39 pp), revealing conservative bias. Parametric probes confirm that the sigmoid pattern generalizes to cost, efficiency, and semantic-similarity heuristics; goal-decomposition prompting recovers +6 to 9 pp by forcing models to enumerate preconditions before answering. Together, these results characterize heuristic override as a systematic reasoning vulnerability and provide a benchmark for measuring progress toward resolving it.

Combinatorial and optimization problems are fundamental to many industrial AI applications. Solving large-scale real-world instances of such problems typically requires careful problem formalization, specialized solvers, and expert-designed heuristics. Thus, experts need to specify not only what solutions are, but also how they are derived. By introducing the tool CHECKMATE, we show that algorithm generation via code evolution represents a paradigm shift by eliminating the need to formulate the how. CHECKMATE solely relies on the what. Specifically, a formal specification ensures solutions' correctness and enables systematic performance evaluation of the generated programs, while a natural language description guides the evolutionary process. The effectiveness of our method is demonstrated on selected problems from two industrial domains: configuration and scheduling. In all cases, the evolved algorithms consistently outperform state-of-the-art solvers. This underscores the potential of formal methods in guiding code evolution for automatically solving complex real-world problems.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

Mixed integer linear programs are commonly solved by Branch and Bound algorithms. A key factor of the efficiency of the most successful commercial solvers is their fine-tuned heuristics. In this paper, we leverage patterns in real-world instances to learn from scratch a new branching strategy optimised for a given problem and compare it with a commercial solver. We propose FMSTS, a novel Reinforcement Learning approach specifically designed for this task. The strength of our method lies in the consistency between a local value function and a global metric of interest. In addition, we provide insights for adapting known RL techniques to the Branch and Bound setting, and present a new neural network architecture inspired from the literature. To our knowledge, it is the first time Reinforcement Learning has been used to fully optimise the branching strategy. Computational experiments show that our method is appropriate and able to generalise well to new instances.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

Planning has become a central capability for contemporary agent systems in navigating complex, long-horizon tasks, yet existing approaches predominantly rely on fixed, hand-crafted planning structures that lack the flexibility to adapt to the structural diversity of open-ended problems. To address this limitation, we introduce TodoEvolve, a meta-planning paradigm that autonomously synthesizes and dynamically revises task-specific planning architectures. Specifically, we first construct PlanFactory, a modular design space that standardizes diverse planning paradigms within a unified codebase encompassing topology, initialization, adaptation, and navigation, thereby providing a common interface for heterogeneous planning patterns. Leveraging PlanFactory, we collect high-quality planning trajectories and train Todo-14B via Impedance-Guided Preference Optimization (IGPO), a multi-objective reinforcement learning objective that encourages the generation of planning systems that are performant, stable, and token-efficient across arbitrary tasks and agent backbones. Empirical evaluations on five agentic benchmarks demonstrate that TodoEvolve consistently surpasses carefully engineered planning modules while maintaining economical API costs and runtime overhead.

This paper introduces a multi-agent framework guided by Large Language Models (LLMs) to assist in the early stages of engineering design, a phase often characterized by vast parameter spaces and inherent uncertainty. Operating under a human-in-the-loop paradigm and demonstrated on the canonical problem of aerodynamic airfoil design, the framework employs a team of specialized agents: a Coding Assistant, a Design Agent, a Systems Engineering Agent, and an Analyst Agent - all coordinated by a human Manager. Integrated within a set-based design philosophy, the process begins with a collaborative phase where the Manager and Coding Assistant develop a suite of validated tools, after which the agents execute a structured workflow to systematically explore and prune a large set of initial design candidates. A key contribution of this work is the explicit integration of formal risk management, employing the Conditional Value-at-Risk (CVaR) as a quantitative metric to filter designs that exhibit a high probability of failing to meet performance requirements, specifically the target coefficient of lift. The framework automates labor-intensive initial exploration through a global sensitivity analysis conducted by the Analyst agent, which generates actionable heuristics to guide the other agents. The process culminates by presenting the human Manager with a curated final set of promising design candidates, augmented with high-fidelity Computational Fluid Dynamics (CFD) simulations. This approach effectively leverages AI to handle high-volume analytical tasks, thereby enhancing the decision-making capability of the human expert in selecting the final, risk-assessed design.

Active learning (AL) algorithms may achieve better performance with fewer data because the model guides the data selection process. While many algorithms have been proposed, there is little study on what the optimal AL algorithm looks like, which would help researchers understand where their models fall short and iterate on the design. In this paper, we present a simulated annealing algorithm to search for this optimal oracle and analyze it for several tasks. We present qualitative and quantitative insights into the behaviors of this oracle, comparing and contrasting them with those of various heuristics. Moreover, we are able to consistently improve the heuristics using one particular insight. We hope that our findings can better inform future active learning research. The code is available at https://github.com/YilunZhou/optimal-active-learning.

Large reasoning models, such as OpenAI o1 and DeepSeek-R1, tend to become increasingly verbose as their reasoning capabilities improve. These inflated Chain-of-Thought (CoT) trajectories often exceed what the underlying problems require, wasting compute, latency, and context budgets. While introducing length-based efficiency rewards during reinforcement learning offers a natural remedy, existing methods struggle with two fundamental challenges: the optimal balance between correctness and efficiency is non-stationary throughout training, and intrinsic reasoning budgets vary drastically across problems. Relying on static reward weights and global length constraints inevitably forces a compromise between degraded accuracy and unrealized compression. To overcome these limitations, we propose LEAD (Length-Efficient Adaptive and Dynamic reasoning), a method that replaces static heuristics with online, self-adaptive mechanisms. LEAD dynamically calibrates the correctness-efficiency trade-off at each step using a Potential-Scaled Instability, directing optimization capacity to the most informative learning signal. Furthermore, it estimates an adaptive per-problem target length online based on the model's own correct rollouts, applying a symmetric efficiency reward that penalizes both overthinking and over-compression. Evaluated on five mathematical reasoning benchmarks, LEAD achieves the highest accuracy and Accuracy-Efficiency Score among RL-trained efficient-reasoning methods while producing substantially shorter outputs than the base model.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

Iterative refinement has been a promising paradigm to enable large language models (LLMs) to resolve difficult reasoning and problem-solving tasks. One of the key challenges, however, is how to effectively search through the enormous search space of possible refinements. Existing methods typically fall back on predefined heuristics, which are troubled by the exploration-exploitation dilemma and cannot adapt based on past refinement outcomes. We introduce Tree-Guided Policy Refinement (TGPR), a novel framework that combines GRPO with a Thompson-Sampling-based tree search. TGPR explores both failed and successful refinement paths actively, with denser training trajectories and more adaptive policies. On HumanEval, MBPP, and APPS benchmarks, our method achieves up to +4.2 percentage points absolute improvement in pass@1 (on MBPP) and up to +12.51 percentage points absolute improvement in pass@10 (on APPS) compared to a competitive GRPO baseline. Apart from debugging code, TGPR focuses on a principled approach to combining learned policies with structured search methods, offering a general framework for enhancing iterative refinement and stateful reasoning in LLMs.

Optimization problems are pervasive across various sectors, from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers, as the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. We introduce OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve MILP problems from their natural language descriptions. OptiMUS is capable of developing mathematical models, writing and debugging solver code, developing tests, and checking the validity of generated solutions. To benchmark our agent, we present NLP4LP, a novel dataset of linear programming (LP) and mixed integer linear programming (MILP) problems. Our experiments demonstrate that OptiMUS solves nearly twice as many problems as a basic LLM prompting strategy. OptiMUS code and NLP4LP dataset are available at https://github.com/teshnizi/OptiMUS{https://github.com/teshnizi/OptiMUS}

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

The black-box nature of deep neural networks (DNN) has brought to attention the issues of transparency and fairness. Deep Reinforcement Learning (Deep RL or DRL), which uses DNN to learn its policy, value functions etc, is thus also subject to similar concerns. This paper proposes a way to circumvent the issues through the bottom-up design of neural networks with detailed interpretability, where each neuron or layer has its own meaning and utility that corresponds to humanly understandable concept. The framework introduced in this paper is called the Self Reward Design (SRD), inspired by the Inverse Reward Design, and this interpretable design can (1) solve the problem by pure design (although imperfectly) and (2) be optimized like a standard DNN. With deliberate human designs, we show that some RL problems such as lavaland and MuJoCo can be solved using a model constructed with standard NN components with few parameters. Furthermore, with our fish sale auction example, we demonstrate how SRD is used to address situations that will not make sense if black-box models are used, where humanly-understandable semantic-based decision is required.

Robot design aims at learning to create robots that can be easily controlled and perform tasks efficiently. Previous works on robot design have proven its ability to generate robots for various tasks. However, these works searched the robots directly from the vast design space and ignored common structures, resulting in abnormal robots and poor performance. To tackle this problem, we propose a Symmetry-Aware Robot Design (SARD) framework that exploits the structure of the design space by incorporating symmetry searching into the robot design process. Specifically, we represent symmetries with the subgroups of the dihedral group and search for the optimal symmetry in structured subgroups. Then robots are designed under the searched symmetry. In this way, SARD can design efficient symmetric robots while covering the original design space, which is theoretically analyzed. We further empirically evaluate SARD on various tasks, and the results show its superior efficiency and generalizability.

Automatic generation of computer-aided design (CAD) models is a core technology for enabling intelligence in advanced manufacturing. Existing generation methods based on large language models (LLMs) often fall short when handling complex CAD models characterized by long operation sequences, diverse operation types, and strong geometric constraints, primarily because reasoning chains break and effective error-correction mechanisms are lacking. To address this problem, this paper proposes a memory-augmented reinforcement learning framework for CAD generation agents. The framework encapsulates the underlying geometric kernel into a structured toolchain callable by the agent and builds a closed-loop mechanism of design intent understanding, global planning, execution, and multi-dimensional verification. It also designs a dual-track memory module consisting of a case library and a skill library, and proposes a dynamic utility retrieval algorithm. By introducing reinforcement learning into retrieval and policy optimization, the agent can effectively avoid retrieval traps in which examples are semantically similar but geometrically infeasible, enabling online self-correction and continual evolution without additional large-scale annotated data. Experiments show that the proposed method significantly improves both the success rate and geometric consistency on complex CAD model generation tasks.

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

Our study contributes to the scheduling and combinatorial optimization literature with new heuristics discovered by leveraging the power of Large Language Models (LLMs). We focus on the single-machine total tardiness (SMTT) problem, which aims to minimize total tardiness by sequencing n jobs on a single processor without preemption, given processing times and due dates. We develop and benchmark two novel LLM-discovered heuristics, the EDD Challenger (EDDC) and MDD Challenger (MDDC), inspired by the well-known Earliest Due Date (EDD) and Modified Due Date (MDD) rules. In contrast to prior studies that employed simpler rule-based heuristics, we evaluate our LLM-discovered algorithms using rigorous criteria, including optimality gaps and solution time derived from a mixed-integer programming (MIP) formulation of SMTT. We compare their performance against state-of-the-art heuristics and exact methods across various job sizes (20, 100, 200, and 500 jobs). For instances with more than 100 jobs, exact methods such as MIP and dynamic programming become computationally intractable. Up to 500 jobs, EDDC improves upon the classic EDD rule and another widely used algorithm in the literature. MDDC consistently outperforms traditional heuristics and remains competitive with exact approaches, particularly on larger and more complex instances. This study shows that human-LLM collaboration can produce scalable, high-performing heuristics for NP-hard constrained combinatorial optimization, even under limited resources when effectively configured.

The rise of foundation models has shifted focus from resource-intensive fine-tuning to prompt engineering, a paradigm that steers model behavior through input design rather than weight updates. While manual prompt engineering faces limitations in scalability, adaptability, and cross-modal alignment, automated methods, spanning foundation model (FM) based optimization, evolutionary methods, gradient-based optimization, and reinforcement learning, offer promising solutions. Existing surveys, however, remain fragmented across modalities and methodologies. This paper presents the first comprehensive survey on automated prompt engineering through a unified optimization-theoretic lens. We formalize prompt optimization as a maximization problem over discrete, continuous, and hybrid prompt spaces, systematically organizing methods by their optimization variables (instructions, soft prompts, exemplars), task-specific objectives, and computational frameworks. By bridging theoretical formulation with practical implementations across text, vision, and multimodal domains, this survey establishes a foundational framework for both researchers and practitioners, while highlighting underexplored frontiers in constrained optimization and agent-oriented prompt design.

Any optimization algorithm programming interface can be seen as a black-box function with additional free parameters. In this spirit, simulated annealing (SA) can be implemented in pseudo-code within the dimensions of a single slide with free parameters relating to the annealing schedule. Such an implementation, however, necessarily neglects much of the structure necessary to take advantage of advances in computing resources and algorithmic breakthroughs. Simulated annealing is often introduced in myriad disciplines, from discrete examples like the Traveling Salesman Problem (TSP) to molecular cluster potential energy exploration or even explorations of a protein's configurational space. Theoretical guarantees also demand a stricter structure in terms of statistical quantities, which cannot simply be left to the user. We will introduce several standard paradigms and demonstrate how these can be "lifted" into a unified framework using object-oriented programming in Python. We demonstrate how clean, interoperable, reproducible programming libraries can be used to access and rapidly iterate on variants of Simulated Annealing in a manner which can be extended to serve as a best practices blueprint or design pattern for a data-driven optimization library.

Large Language Models (LLMs) can generate Computer-Aided Design (CAD), yet lack physical comprehension required for reliable engineering design. Instead of attempting to implicitly learn physical laws from data, we propose a Hybrid Agentic-Physical Architecture that embeds validated knowledge-based engineering tools directly into the decision making loop of autonomous AI agents. In this framework, engineering design is formulated as a closed-loop, sequential decision making process guided by explicit physical verification. Based on a load case, dedicated agents iteratively plan, generate, evaluate, and revise engineering designs using knowledge-based tools as a feedback signal. We introduce a benchmark dataset and metrics for assessing functional validity in generative CAD. Our system generates more complex and physically verified designs, with a 4.2 increase in structural complexity and improving compile rate by 3.5% compared to similar agentic methods. The codebase, prompts and dataset will be made publicly available to support reproducibility and future research.

Large language model (LLM) agents exhibit strong mathematical problem-solving abilities and can even solve International Mathematical Olympiad (IMO) level problems with the assistance of formal proof systems. However, due to weak heuristics for auxiliary constructions, AI for geometry problem solving remains dominated by expert models such as AlphaGeometry 2, which rely heavily on large-scale data synthesis and search for both training and evaluation. In this work, we make the first attempt to build a medalist-level LLM agent for geometry and present InternGeometry. InternGeometry overcomes the heuristic limitations in geometry by iteratively proposing propositions and auxiliary constructions, verifying them with a symbolic engine, and reflecting on the engine's feedback to guide subsequent proposals. A dynamic memory mechanism enables InternGeometry to conduct more than two hundred interactions with the symbolic engine per problem. To further accelerate learning, we introduce Complexity-Boosting Reinforcement Learning (CBRL), which gradually increases the complexity of synthesized problems across training stages. Built on InternThinker-32B, InternGeometry solves 44 of 50 IMO geometry problems (2000-2024), exceeding the average gold medalist score (40.9), using only 13K training examples, just 0.004% of the data used by AlphaGeometry 2, demonstrating the potential of LLM agents on expert-level geometry tasks. InternGeometry can also propose novel auxiliary constructions for IMO problems that do not appear in human solutions. We will release the model, data, and symbolic engine to support future research.

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

Reward design is a fundamental, yet challenging aspect of practical reinforcement learning (RL). For simple tasks, researchers typically handcraft the reward function, e.g., using a linear combination of several reward factors. However, such reward engineering is subject to approximation bias, incurs large tuning cost, and often cannot provide the granularity required for complex tasks. To avoid these difficulties, researchers have turned to reinforcement learning from human feedback (RLHF), which learns a reward function from human preferences between pairs of trajectory sequences. By leveraging preference-based reward modeling, RLHF learns complex rewards that are well aligned with human preferences, allowing RL to tackle increasingly difficult problems. Unfortunately, the applicability of RLHF is limited due to the high cost and difficulty of obtaining human preference data. In light of this cost, we investigate learning reward functions for complex tasks with less human effort; simply by ranking the importance of the reward factors. More specifically, we propose a new RL framework -- HERON, which compares trajectories using a hierarchical decision tree induced by the given ranking. These comparisons are used to train a preference-based reward model, which is then used for policy learning. We find that our framework can not only train high performing agents on a variety of difficult tasks, but also provide additional benefits such as improved sample efficiency and robustness. Our code is available at https://github.com/abukharin3/HERON.

Structural vibrations are a source of unwanted noise in engineering systems like cars, trains or airplanes. Minimizing these vibrations is crucial for improving passenger comfort. This work presents a novel design optimization approach based on guided flow matching for reducing vibrations by placing beadings (indentations) in plate-like structures. Our method integrates a generative flow matching model and a surrogate model trained to predict structural vibrations. During the generation process, the flow matching model pushes towards manufacturability while the surrogate model pushes to low-vibration solutions. The flow matching model and its training data implicitly define the design space, enabling a broader exploration of potential solutions as no optimization of manually-defined design parameters is required. We apply our method to a range of differentiable optimization objectives, including direct optimization of specific eigenfrequencies through careful construction of the objective function. Results demonstrate that our method generates diverse and manufacturable plate designs with reduced structural vibrations compared to designs from random search, a criterion-based design heuristic and genetic optimization. The code and data are available from https://github.com/ecker-lab/Optimizing_Vibrating_Plates.

In many reinforcement learning tasks, the goal is to learn a policy to manipulate an agent, whose design is fixed, to maximize some notion of cumulative reward. The design of the agent's physical structure is rarely optimized for the task at hand. In this work, we explore the possibility of learning a version of the agent's design that is better suited for its task, jointly with the policy. We propose an alteration to the popular OpenAI Gym framework, where we parameterize parts of an environment, and allow an agent to jointly learn to modify these environment parameters along with its policy. We demonstrate that an agent can learn a better structure of its body that is not only better suited for the task, but also facilitates policy learning. Joint learning of policy and structure may even uncover design principles that are useful for assisted-design applications. Videos of results at https://designrl.github.io/

Concept Design structures software systems around concepts: user-facing, self-contained units of functionality with a focused purpose. Concepts are composed into applications using synchronization rules called reactions, which specify how actions in one concept trigger actions in others. This paper first gives a formal semantics for concepts and reactions, enabling automatic verification of safety invariants in applications developed with this methodology. It then presents a CEGIS-style, LLM-driven synthesis procedure for generating reaction designs that satisfy such invariants. Because many different designs can satisfy the same invariant, we study two ways of steering synthesis toward the user's intended design: natural-language prompts and positive/negative scenarios. We also propose an LLM-driven scenario elicitation technique to support early design exploration. In an evaluation on three applications and twelve design variants using one LLM configuration, invariant-only synthesis reached verified designs quickly but often produced inconsistent designs across runs, some of which were implausible, showing that invariants alone underconstrain the design task. Scenario-guided synthesis recovered intended designs more consistently than natural-language prompting, although minimal scenarios can lead to overfitting. LLM-driven scenario elicitation, where the user classifies proposed scenarios rather than authoring them from scratch, recovered the intended designs in most variants when enough scenarios were elicited, but missed behaviors and non-determinism prevented reliable coverage in all cases.

Evolutionary program synthesis systems such as AlphaEvolve, OpenEvolve, and ShinkaEvolve offer a new approach to AI-assisted mathematical discovery. These systems utilize teams of large language models (LLMs) to generate candidate solutions to a problem as human readable code. These candidate solutions are then 'evolved' with the goal of improving them beyond what an LLM can produce in a single shot. While existing mathematical applications have mostly focused on problems of establishing bounds (e.g., sphere packing), the program synthesis approach is well suited to any problem where the solution takes the form of an explicit construction. With this in mind, in this paper we explore the use of OpenEvolve for combinatorial bijection discovery. We describe the results of applying OpenEvolve to three bijection construction problems involving Dyck paths, two of which are known and one of which is open. We find that while systems like OpenEvolve show promise as a valuable tool for combinatorialists, the problem of finding novel, research-level bijections remains a challenging task for current frontier systems, reinforcing the need for human mathematicians in the loop. We describe some lessons learned for others in the field interested in exploring the use of these systems.

Optical design is the process of configuring optical elements to precisely manipulate light for high-fidelity imaging. It is inherently a highly non-convex optimization problem that relies heavily on human heuristic expertise and domain-specific knowledge. While Large Language Models (LLMs) possess extensive optical knowledge, their capabilities in leveraging the knowledge in designing lens system remain significantly constrained. This work represents the first attempt to employ LLMs in the field of optical design. We bridge the expertise gap by enabling users without formal optical training to successfully develop functional lens systems. Concretely, we curate a comprehensive dataset, named OptiDesignQA, which encompasses both classical lens systems sourced from standard optical textbooks and novel configurations generated by automated design algorithms for training and evaluation. Furthermore, we inject domain-specific optical expertise into the LLM through a hybrid objective of full-system synthesis and lens completion. To align the model with optical principles, we employ Group Relative Policy Optimization Done Right (DrGRPO) guided by Optical Lexicographic Reward for physics-driven policy alignment. This reward system incorporates structural format rewards, physical feasibility rewards, light-manipulation accuracy, and LLM-based heuristics. Finally, our model integrates with specialized optical optimization routines for end-to-end fine-tuning and precision refinement. We benchmark our proposed method against both traditional optimization-based automated design algorithms and LLM counterparts, and experimental results show the superiority of our method.

(Aim) Dragon Boat Racing, a popular aquatic folklore team sport, is traditionally held during the Dragon Boat Festival. Inspired by this event, we propose a novel human-based meta-heuristic algorithm called dragon boat optimization (DBO) in this paper. (Method) It models the unique behaviors of each crew member on the dragon boat during the race by introducing social psychology mechanisms (social loafing, social incentive). Throughout this process, the focus is on the interaction and collaboration among the crew members, as well as their decision-making in different situations. During each iteration, DBO implements different state updating strategies. By modelling the crew's behavior and adjusting the state updating strategies, DBO is able to maintain high-performance efficiency. (Results) We have tested the DBO algorithm with 29 mathematical optimization problems and 2 structural design problems. (Conclusion) The experimental results demonstrate that DBO is competitive with state-of-the-art meta-heuristic algorithms as well as conventional methods.

We apply preference learning to the task of language model-guided design of novel structural alloys. In contrast to prior work that focuses on generating stable inorganic crystals, our approach targets the synthesizeability of a specific structural class: BCC/B2 superalloys, an underexplored family of materials with potential applications in extreme environments. Using three open-weight models (LLaMA-3.1, Gemma-2, and OLMo-2), we demonstrate that language models can be optimized for multiple design objectives using a single, unified reward signal through Direct Preference Optimization (DPO). Unlike prior approaches that rely on heuristic or human-in-the-loop feedback (costly), our reward signal is derived from thermodynamic phase calculations, offering a scientifically grounded criterion for model tuning. To our knowledge, this is the first demonstration of preference-tuning a language model using physics-grounded feedback for structural alloy design. The resulting framework is general and extensible, providing a path forward for intelligent design-space exploration across a range of physical science domains.

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

Designing solutions for complex engineering challenges is crucial in human production activities. However, previous research in the retrieval-augmented generation (RAG) field has not sufficiently addressed tasks related to the design of complex engineering solutions. To fill this gap, we introduce a new benchmark, SolutionBench, to evaluate a system's ability to generate complete and feasible solutions for engineering problems with multiple complex constraints. To further advance the design of complex engineering solutions, we propose a novel system, SolutionRAG, that leverages the tree-based exploration and bi-point thinking mechanism to generate reliable solutions. Extensive experimental results demonstrate that SolutionRAG achieves state-of-the-art (SOTA) performance on the SolutionBench, highlighting its potential to enhance the automation and reliability of complex engineering solution design in real-world applications.

Bundle adjustment is the common way to solve localization and mapping. It is an iterative process in which a system of non-linear equations is solved using two optimization methods, weighted by a damping factor. In the classic approach, the latter is chosen heuristically by the Levenberg-Marquardt algorithm on each iteration. This might take many iterations, making the process computationally expensive, which might be harmful to real-time applications. We propose to replace this heuristic by viewing the problem in a holistic manner, as a game, and formulating it as a reinforcement-learning task. We set an environment which solves the non-linear equations and train an agent to choose the damping factor in a learned manner. We demonstrate that our approach considerably reduces the number of iterations required to reach the bundle adjustment's convergence, on both synthetic and real-life scenarios. We show that this reduction benefits the classic approach and can be integrated with other bundle adjustment acceleration methods.

With the booming demand for machine learning applications, it has been recognized that the number of knowledgeable data scientists can not scale with the growing data volumes and application needs in our digital world. In response to this demand, several automated machine learning (AutoML) frameworks have been developed to fill the gap of human expertise by automating the process of building machine learning pipelines. Each framework comes with different heuristics-based design decisions. In this study, we present a comprehensive evaluation and comparison of the performance characteristics of six popular AutoML frameworks, namely, AutoWeka, AutoSKlearn, TPOT, Recipe, ATM, and SmartML, across 100 data sets from established AutoML benchmark suites. Our experimental evaluation considers different aspects for its comparison, including the performance impact of several design decisions, including time budget, size of search space, meta-learning, and ensemble construction. The results of our study reveal various interesting insights that can significantly guide and impact the design of AutoML frameworks.

Long-horizon language-model agents are dominated, in lines of code and in operational complexity, not by their underlying model but by the harness that wraps it: context compaction, tool caching, semantic memory, trajectory reuse, speculative tool prediction, and the glue that binds the model to a sandboxed execution environment. We argue that harness design is a first-class machine-learning problem and that automated configuration search dominates manual stacking once the flag space exceeds a handful of bits. We defend this claim in two steps. First, we formalize automated harness optimization as constrained noisy Bayesian optimization over a mixed-variable, cost-heterogeneous configuration space with cold-start-corrected rewards and a posterior chance-constrained safety check, and give a reference solver, HARBOR (Harness Axis-aligned Regularized Bayesian Optimization Routine), built from a block-additive SAAS surrogate, multi-fidelity cost-aware acquisition, and TuRBO trust regions. Second, we instantiate the problem in a flag-gated harness over a production coding agent and report a controlled four-round manual-tuning case study against a fixed task suite and an end-to-end HARBOR run. The formulation itself is task-class agnostic: the configuration space, reward correction, acquisition, and safety check apply to any agent harness with a bounded flag space and a reproducible task suite.

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is hindered by the lack of rigorous, quantitative evaluation. To tackle this challenge, we introduce CreativeBench, a benchmark for evaluating machine creativity in code generation, grounded in a classical cognitive framework. Comprising two subsets -- CreativeBench-Combo and CreativeBench-Explore -- the benchmark targets combinatorial and exploratory creativity through an automated pipeline utilizing reverse engineering and self-play. By leveraging executable code, CreativeBench objectively distinguishes creativity from hallucination via a unified metric defined as the product of quality and novelty. Our analysis of state-of-the-art models reveals distinct behaviors: (1) scaling significantly improves combinatorial creativity but yields diminishing returns for exploration; (2) larger models exhibit ``convergence-by-scaling,'' becoming more correct but less divergent; and (3) reasoning capabilities primarily benefit constrained exploration rather than combination. Finally, we propose EvoRePE, a plug-and-play inference-time steering strategy that internalizes evolutionary search patterns to consistently enhance machine creativity.

Cloud computing has revolutionized the provisioning of computing resources, offering scalable, flexible, and on-demand services to meet the diverse requirements of modern applications. At the heart of efficient cloud operations are job scheduling and resource management, which are critical for optimizing system performance and ensuring timely and cost-effective service delivery. However, the dynamic and heterogeneous nature of cloud environments presents significant challenges for these tasks, as workloads and resource availability can fluctuate unpredictably. Traditional approaches, including heuristic and meta-heuristic algorithms, often struggle to adapt to these real-time changes due to their reliance on static models or predefined rules. Deep Reinforcement Learning (DRL) has emerged as a promising solution to these challenges by enabling systems to learn and adapt policies based on continuous observations of the environment, facilitating intelligent and responsive decision-making. This survey provides a comprehensive review of DRL-based algorithms for job scheduling and resource management in cloud computing, analyzing their methodologies, performance metrics, and practical applications. We also highlight emerging trends and future research directions, offering valuable insights into leveraging DRL to advance both job scheduling and resource management in cloud computing.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

LLM-as-a-Judge models generate chain-of-thought (CoT) sequences intended to capture the step-bystep reasoning process that underlies the final evaluation of a response. However, due to the lack of human annotated CoTs for evaluation, the required components and structure of effective reasoning traces remain understudied. Consequently, previous approaches often (1) constrain reasoning traces to hand-designed components, such as a list of criteria, reference answers, or verification questions and (2) structure them such that planning is intertwined with the reasoning for evaluation. In this work, we propose EvalPlanner, a preference optimization algorithm for Thinking-LLM-as-a-Judge that first generates an unconstrained evaluation plan, followed by its execution, and then the final judgment. In a self-training loop, EvalPlanner iteratively optimizes over synthetically constructed evaluation plans and executions, leading to better final verdicts. Our method achieves a new state-of-the-art performance for generative reward models on RewardBench (with a score of 93.9), despite being trained on fewer amount of, and synthetically generated, preference pairs. Additional experiments on other benchmarks like RM-Bench, JudgeBench, and FollowBenchEval further highlight the utility of both planning and reasoning for building robust LLM-as-a-Judge reasoning models.

Pre-trained language models (PLMs) have shown impressive performance in various language tasks. However, they are prone to spurious correlations, and often generate illusory information. In real-world applications, PLMs should justify decisions with formalized, coherent reasoning chains, but this challenge remains under-explored. Cognitive psychology theorizes that humans are capable of utilizing fast and intuitive heuristic thinking to make decisions based on past experience, then rationalizing the decisions through slower and deliberative analytic reasoning. We incorporate these interlinked dual processes in fine-tuning and in-context learning with PLMs, applying them to two language understanding tasks that require coherent physical commonsense reasoning. We show that our proposed Heuristic-Analytic Reasoning (HAR) strategies drastically improve the coherence of rationalizations for model decisions, yielding state-of-the-art results on Tiered Reasoning for Intuitive Physics (TRIP). We also find that this improved coherence is a direct result of more faithful attention to relevant language context in each step of reasoning. Our findings suggest that human-like reasoning strategies can effectively improve the coherence and reliability of PLM reasoning.

Large language model (LLM) agents have demonstrated strong capabilities across diverse domains. However, designing high-performing agentic systems remains challenging. Existing agent search methods suffer from three major limitations: (1) an emphasis on optimizing agentic workflows while under-utilizing proven human-designed components such as memory, planning, and tool use; (2) high evaluation costs, as each newly generated agent must be fully evaluated on benchmarks; and (3) inefficient search in large search space. In this work, we introduce a comprehensive framework to address these challenges. First, We propose a hierarchical search space that jointly models agentic workflow and composable functional components, enabling richer agentic system designs. Building on this structured design space, we introduce a predictive value model that estimates agent performance given agentic system and task description, allowing for efficient, low-cost evaluation during the search process. Finally, we present a hierarchical Monte Carlo Tree Search (MCTS) strategy informed by uncertainty to guide the search. Experiments on seven benchmarks, covering embodied, math, web, tool, and game, show that our method achieves an average performance gain of 8.34\% over state-of-the-art baselines and exhibits faster search progress with steeper improvement trajectories. Code repo is available at https://github.com/Ericccc02/AgentSwift.

One of the most critical tasks for startups is to validate their business model. Therefore, entrepreneurs try to collect information such as feedback from other actors to assess the validity of their assumptions and make decisions. However, previous work on decisional guidance for business model validation provides no solution for the highly uncertain and complex context of earlystage startups. The purpose of this paper is, thus, to develop design principles for a Hybrid Intelligence decision support system (HI-DSS) that combines the complementary capabilities of human and machine intelligence. We follow a design science research approach to design a prototype artifact and a set of design principles. Our study provides prescriptive knowledge for HI-DSS and contributes to previous work on decision support for business models, the applications of complementary strengths of humans and machines for making decisions, and support systems for extremely uncertain decision-making problems.

A machine learning system can score well on a given test set by relying on heuristics that are effective for frequent example types but break down in more challenging cases. We study this issue within natural language inference (NLI), the task of determining whether one sentence entails another. We hypothesize that statistical NLI models may adopt three fallible syntactic heuristics: the lexical overlap heuristic, the subsequence heuristic, and the constituent heuristic. To determine whether models have adopted these heuristics, we introduce a controlled evaluation set called HANS (Heuristic Analysis for NLI Systems), which contains many examples where the heuristics fail. We find that models trained on MNLI, including BERT, a state-of-the-art model, perform very poorly on HANS, suggesting that they have indeed adopted these heuristics. We conclude that there is substantial room for improvement in NLI systems, and that the HANS dataset can motivate and measure progress in this area

The combination of Monte-Carlo tree search (MCTS) with deep reinforcement learning has led to significant advances in artificial intelligence. However, AlphaZero, the current state-of-the-art MCTS algorithm, still relies on handcrafted heuristics that are only partially understood. In this paper, we show that AlphaZero's search heuristics, along with other common ones such as UCT, are an approximation to the solution of a specific regularized policy optimization problem. With this insight, we propose a variant of AlphaZero which uses the exact solution to this policy optimization problem, and show experimentally that it reliably outperforms the original algorithm in multiple domains.

Recent advances in large reasoning language models (LRLMs) rely on test-time scaling, which extends long chain-of-thought (CoT) generation to solve complex tasks. However, overthinking in long CoT not only slows down the efficiency of problem solving, but also risks accuracy loss due to the extremely detailed or redundant reasoning steps. We propose a simple yet effective method that allows LLMs to self-truncate CoT sequences by early exit during generation. Instead of relying on fixed heuristics, the proposed method monitors model behavior at potential reasoning transition points (e.g.,"Wait" tokens) and dynamically terminates the next reasoning chain's generation when the model exhibits high confidence in a trial answer. Our method requires no additional training and can be seamlessly integrated into existing o1-like reasoning LLMs. Experiments on 10 reasoning benchmarks (e.g., GSM8K, MATH-500, AMC, GPQA, AIME and LiveCodeBench) show that the proposed method is consistently effective on 11 cutting-edge reasoning LLMs of varying series and sizes, reducing the length of CoT sequences by an average of 19.1% to 80.1% while improving accuracy by 0.3% to 5.0%.

Large vision language models exhibit notable limitations on Geometry Problem Solving (GPS) because of their unreliable diagram interpretation and pure natural-language reasoning. A recent line of work mitigates this by using symbolic solvers: the model directly generates a formal program that a geometry solver can execute. However, this direct program generation lacks intermediate reasoning, making the decision process opaque and prone to errors. In this work, we explore a new approach that integrates Chain-of-Thought (CoT) with formal language. The model interleaves natural language reasoning with incremental emission of solver-executable code, producing a hybrid reasoning trace in which critical derivations are expressed in formal language. To teach this behavior at scale, we combine (1) supervised fine-tuning on an 11K newly developed synthetic dataset with interleaved natural language reasoning and automatic formalization, and (2) solver-in-the-loop reinforcement learning that jointly optimizes both the CoT narrative and the resulting program through outcome-based rewards. Built on Qwen2.5-VL-7B, our new model, named GF-Reasoner, achieves up to 15% accuracy improvements on standard GPS benchmarks, surpassing both 7B-scale peers and the much larger model Qwen2.5-VL-72B. By exploiting high-order geometric knowledge and offloading symbolic computation to the solver, the generated reasoning traces are noticeably shorter and cleaner. Furthermore, we present a comprehensive analysis of method design choices (e.g., reasoning paradigms, data synthesis, training epochs, etc.), providing actionable insights for future research.

An AI system can create and maintain knowledge only to the extent that it can verify that knowledge itself. Recent work on long Chain-of-Thought reasoning has demonstrated great potential of LLMs on solving competitive problems, but their verification ability remains to be weak and not sufficiently investigated. In this paper, we propose Heimdall, the long CoT verification LLM that can accurately judge the correctness of solutions. With pure reinforcement learning, we boost the verification accuracy from 62.5% to 94.5% on competitive math problems. By scaling with repeated sampling, the accuracy further increases to 97.5%. Through human evaluation, Heimdall demonstrates impressive generalization capabilities, successfully detecting most issues in challenging math proofs, the type of which is not included during training. Furthermore, we propose Pessimistic Verification to extend the functionality of Heimdall to scaling up the problem solving. It calls Heimdall to judge the solutions from a solver model and based on the pessimistic principle, selects the most likely correct solution with the least uncertainty. Taking DeepSeek-R1-Distill-Qwen-32B as the solver model, Pessimistic Verification improves the solution accuracy on AIME2025 from 54.2% to 70.0% with 16x compute budget and to 83.3% with more compute budget. With the stronger solver Gemini 2.5 Pro, the score reaches 93.0%. Finally, we prototype an automatic knowledge discovery system, a ternary system where one poses questions, another provides solutions, and the third verifies the solutions. Using the data synthesis work NuminaMath for the first two components, Heimdall effectively identifies problematic records within the dataset and reveals that nearly half of the data is flawed, which interestingly aligns with the recent ablation studies from NuminaMath.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

In the post-Dennard era, optimizing embedded systems requires navigating complex trade-offs between energy efficiency and latency. Traditional heuristic tuning is often inefficient in such high-dimensional, non-smooth landscapes. In this work, we propose a Bayesian Optimization framework using Gaussian Processes to automate the search for optimal scheduling configurations on heterogeneous multi-core architectures. We explicitly address the multi-objective nature of the problem by approximating the Pareto Frontier between energy and time. Furthermore, by incorporating Sensitivity Analysis (fANOVA) and comparing different covariance kernels (e.g., Matérn vs. RBF), we provide physical interpretability to the black-box model, revealing the dominant hardware parameters driving system performance.

We introduce a new method of generating Computer Aided Design (CAD) profiles via a sequence of simple geometric constructions including curve offsetting, rotations and intersections. These sequences start with geometry provided by a designer and build up the points and curves of the final profile step by step. We demonstrate that adding construction steps between the designer's input geometry and the final profile improves generation quality in a similar way to the introduction of a chain of thought in language models. Similar to the constraints in a parametric CAD model, the construction sequences reduce the degrees of freedom in the modeled shape to a small set of parameter values which can be adjusted by the designer, allowing parametric editing with the constructed geometry evaluated to floating point precision. In addition we show that applying reinforcement learning to the construction sequences gives further improvements over a wide range of metrics, including some which were not explicitly optimized.

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since heuristics and hyperparameters substantially vary across different methods, a fair comparison between them can only be achieved by systematically analyzing the influence of these factors. In this paper, we therefore provide a systematic evaluation of the heuristics and hyperparameters that are frequently employed by weight-sharing NAS algorithms. Our analysis uncovers that some commonly-used heuristics for super-net training negatively impact the correlation between super-net and stand-alone performance, and evidences the strong influence of certain hyperparameters and architectural choices. Our code and experiments set a strong and reproducible baseline that future works can build on.

We present a Spades bidding algorithm that is superior to recreational human players and to publicly available bots. Like in Bridge, the game of Spades is composed of two independent phases, bidding and playing. This paper focuses on the bidding algorithm, since this phase holds a precise challenge: based on the input, choose the bid that maximizes the agent's winning probability. Our Bidding-in-Spades (BIS) algorithm heuristically determines the bidding strategy by comparing the expected utility of each possible bid. A major challenge is how to estimate these expected utilities. To this end, we propose a set of domain-specific heuristics, and then correct them via machine learning using data from real-world players. The \BIS algorithm we present can be attached to any playing algorithm. It beats rule-based bidding bots when all use the same playing component. When combined with a rule-based playing algorithm, it is superior to the average recreational human.

Motivated by the phenomenon of strategic agents gaming a recommender system to maximize the number of times they are recommended to users, we study a strategic variant of the linear contextual bandit problem, where the arms can strategically misreport privately observed contexts to the learner. We treat the algorithm design problem as one of mechanism design under uncertainty and propose the Optimistic Grim Trigger Mechanism (OptGTM) that incentivizes the agents (i.e., arms) to report their contexts truthfully while simultaneously minimizing regret. We also show that failing to account for the strategic nature of the agents results in linear regret. However, a trade-off between mechanism design and regret minimization appears to be unavoidable. More broadly, this work aims to provide insight into the intersection of online learning and mechanism design.

In computer-aided engineering design, the goal of a designer is to find an optimal design on a given requirement using the numerical simulator in loop with an optimization method. In this design optimization process, a good design optimization process is one that can reduce the time from inception to design. In this work, we take a class of design problem, that is computationally cheap to evaluate but has high dimensional design space. In such cases, traditional surrogate-based optimization does not offer any benefits. In this work, we propose an alternative way to use ML model to surrogate the design process that formulates the search problem as an inverse problem and can save time by finding the optimal design or at least a good initial seed design for optimization. By using this trained surrogate model with the traditional optimization method, we can get the best of both worlds. We call this as Surrogate Assisted Optimization (SAO)- a hybrid approach by mixing ML surrogate with the traditional optimization method. Empirical evaluations of propeller design problems show that a better efficient design can be found in fewer evaluations using SAO.

Slide design requires personalizing both deck themes and page layouts. Yet, current AI agent-based methods struggle with fine-grained, page-level design. Solely relying on prespecified templates or user verbose instructions, they fail to capture latent design intents, leaving Page-level Slide Personalization (PSP) unresolved. To close this gap, this work formulates PSP as an inverse planning problem. We propose to learn a design intent without assuming any knowledge of the specific executing tools (e.g., PowerPoint, Beamer) being used. However, relinquishing control over these tools makes the problem intractable to optimize end-to-end. To overcome this, we propose SPIRE, a principled framework to solve PSP approximately. By intentionally corrupting the visual structures of clean slides, SPIRE creates a verifiable task to denoise the corruption, whereby two agents learn to collaboratively refine executable designs via reinforcement learning (RL). We present a proof that structural denoising is a consistent surrogate for PSP, and that the multi-agent formulation strictly reduces policy gradient variance in RL. Extensive experiments demonstrate the superiority of SPIRE.

Since the emergence of large language models, prompt learning has become a popular method for optimizing and customizing these models. Special prompts, such as Chain-of-Thought, have even revealed previously unknown reasoning capabilities within these models. However, the progress of discovering effective prompts has been slow, driving a desire for general prompt optimization methods. Unfortunately, few existing prompt learning methods satisfy the criteria of being truly "general", i.e., automatic, discrete, black-box, gradient-free, and interpretable all at once. In this paper, we introduce metaheuristics, a branch of discrete non-convex optimization methods with over 100 options, as a promising approach to prompt learning. Within our paradigm, we test six typical methods: hill climbing, simulated annealing, genetic algorithms with/without crossover, tabu search, and harmony search, demonstrating their effectiveness in black-box prompt learning and Chain-of-Thought prompt tuning. Furthermore, we show that these methods can be used to discover more human-understandable prompts that were previously unknown, opening the door to a cornucopia of possibilities in prompt optimization. We release all the codes in https://github.com/research4pan/Plum.

We study the problem of planning under model uncertainty in an online meta-reinforcement learning (RL) setting where an agent is presented with a sequence of related tasks with limited interactions per task. The agent can use its experience in each task and across tasks to estimate both the transition model and the distribution over tasks. We propose an algorithm to meta-learn the underlying structure across tasks, utilize it to plan in each task, and upper-bound the regret of the planning loss. Our bound suggests that the average regret over tasks decreases as the number of tasks increases and as the tasks are more similar. In the classical single-task setting, it is known that the planning horizon should depend on the estimated model's accuracy, that is, on the number of samples within task. We generalize this finding to meta-RL and study this dependence of planning horizons on the number of tasks. Based on our theoretical findings, we derive heuristics for selecting slowly increasing discount factors, and we validate its significance empirically.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to assist them in their work poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structural design, incurring high learning costs and it is not conducive to the iterative updating of prompts, especially for non-AI experts. Inspired by structured reusable programming languages, we propose LangGPT, a structural prompt design framework. Furthermore, we introduce Minstrel, a multi-generative agent system with reflection to automate the generation of structural prompts. Experiments and the case study illustrate that structural prompts generated by Minstrel or written manually significantly enhance the performance of LLMs. Furthermore, we analyze the ease of use of structural prompts through a user survey in our online community.

Parametric computer-aided design (CAD) tools are the predominant way that engineers specify physical structures, from bicycle pedals to airplanes to printed circuit boards. The key characteristic of parametric CAD is that design intent is encoded not only via geometric primitives, but also by parameterized constraints between the elements. This relational specification can be viewed as the construction of a constraint program, allowing edits to coherently propagate to other parts of the design. Machine learning offers the intriguing possibility of accelerating the design process via generative modeling of these structures, enabling new tools such as autocompletion, constraint inference, and conditional synthesis. In this work, we present such an approach to generative modeling of parametric CAD sketches, which constitute the basic computational building blocks of modern mechanical design. Our model, trained on real-world designs from the SketchGraphs dataset, autoregressively synthesizes sketches as sequences of primitives, with initial coordinates, and constraints that reference back to the sampled primitives. As samples from the model match the constraint graph representation used in standard CAD software, they may be directly imported, solved, and edited according to downstream design tasks. In addition, we condition the model on various contexts, including partial sketches (primers) and images of hand-drawn sketches. Evaluation of the proposed approach demonstrates its ability to synthesize realistic CAD sketches and its potential to aid the mechanical design workflow.

Modern engineering, spanning electrical, mechanical, aerospace, civil, and computer disciplines, stands as a cornerstone of human civilization and the foundation of our society. However, engineering design poses a fundamentally different challenge for large language models (LLMs) compared with traditional textbook-style problem solving or factual question answering. Although existing benchmarks have driven progress in areas such as language understanding, code synthesis, and scientific problem solving, real-world engineering design demands the synthesis of domain knowledge, navigation of complex trade-offs, and management of the tedious processes that consume much of practicing engineers' time. Despite these shared challenges across engineering disciplines, no benchmark currently captures the unique demands of engineering design work. In this work, we introduce EngDesign, an Engineering Design benchmark that evaluates LLMs' abilities to perform practical design tasks across nine engineering domains. Unlike existing benchmarks that focus on factual recall or question answering, EngDesign uniquely emphasizes LLMs' ability to synthesize domain knowledge, reason under constraints, and generate functional, objective-oriented engineering designs. Each task in EngDesign represents a real-world engineering design problem, accompanied by a detailed task description specifying design goals, constraints, and performance requirements. EngDesign pioneers a simulation-based evaluation paradigm that moves beyond textbook knowledge to assess genuine engineering design capabilities and shifts evaluation from static answer checking to dynamic, simulation-driven functional verification, marking a crucial step toward realizing the vision of engineering Artificial General Intelligence (AGI).

Computer-Aided Design is pivotal in modern manufacturing, yet existing automated methods predominantly rely on open-loop, one-shot generation, creating a mismatch with iterative real-world practices. In this paper, we present IterCAD, a unified multimodal agent framework for closed-loop, interactive CAD generation and editing. We formulate the task as a multi-turn interaction between a multimodal agent and an executable CAD sandbox, covering three tasks: Drawing-to-Code, Text-to-Code, and Interactive Editing. To support this, we develop a data synthesis pipeline incorporating advanced industrial manufacturing features to generate standard-compliant multi-view engineering drawings, complex code-editing tasks, and high-fidelity interaction trajectories. We optimize the agent via progressive SFT followed by geometry-aware reinforcement learning with viable-prefix masking to enhance code executability and geometric fidelity. Finally, we introduce the IterCAD-Bench evaluation suite and propose the Chamfer Distance Tolerance-Recall (CD-TR) curve alongside its AUC-TR metric, establishing a survivor-bias-free standard that unifies code validity and geometric precision. Extensive experiments demonstrate that IterCAD achieves highly competitive performance across multiple benchmarks, significantly outperforming existing approaches in both code executability and geometric precision, while exhibiting superior capabilities in closed-loop iterative refinement.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

The concept of Artificial Intelligence has gained a lot of attention over the last decade. In particular, AI-based tools have been employed in several scenarios and are, by now, pervading our everyday life. Nonetheless, most of these systems lack many capabilities that we would naturally consider to be included in a notion of "intelligence". In this work, we present an architecture that, inspired by the cognitive theory known as Thinking Fast and Slow by D. Kahneman, is tasked with solving planning problems in different settings, specifically: classical and multi-agent epistemic. The system proposed is an instance of a more general AI paradigm, referred to as SOFAI (for Slow and Fast AI). SOFAI exploits multiple solving approaches, with different capabilities that characterize them as either fast or slow, and a metacognitive module to regulate them. This combination of components, which roughly reflects the human reasoning process according to D. Kahneman, allowed us to enhance the reasoning process that, in this case, is concerned with planning in two different settings. The behavior of this system is then compared to state-of-the-art solvers, showing that the newly introduced system presents better results in terms of generality, solving a wider set of problems with an acceptable trade-off between solving times and solution accuracy.

Layout design is an important task in various design fields, including user interface, document, and graphic design. As this task requires tedious manual effort by designers, prior works have attempted to automate this process using generative models, but commonly fell short of providing intuitive user controls and achieving design objectives. In this paper, we build a conditional latent diffusion model, PLay, that generates parametrically conditioned layouts in vector graphic space from user-specified guidelines, which are commonly used by designers for representing their design intents in current practices. Our method outperforms prior works across three datasets on metrics including FID and FD-VG, and in user study. Moreover, it brings a novel and interactive experience to professional layout design processes.

Investigating NLP through a philosophical lens has recently caught researcher's eyes as it connects computational methods with classical schools of philosophy. This paper introduces a philosophical approach inspired by the Hegelian Dialectic for LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and then synthesize new ideas by resolving the contradicting points. Moreover, this paper investigates the effect of LLMs' temperature for generation by establishing a dynamic annealing approach, which promotes the creativity in the early stages and gradually refines it by focusing on the nuances, as well as a fixed temperature strategy for generation. Our proposed approach is examined to determine its ability to generate novel ideas from an initial proposition. Additionally, a Multi Agent Majority Voting (MAMV) strategy is leveraged to assess the validity and novelty of the generated ideas, which proves beneficial in the absence of domain experts. Our experiments show promise in generating new ideas and provide a stepping stone for future research.

Recent advances in large language models (LLMs) have enabled the development of autonomous agents capable of complex reasoning and multi-step problem solving. However, these agents struggle to adapt to specialized environments and do not leverage past interactions, approaching each new task from scratch regardless of their accumulated experience. We introduce Experiential Reflective Learning (ERL), a simple self-improvement framework that enables rapid environment adaptation through experiential learning. ERL reflects on task trajectories and outcomes to generate heuristics, capturing actionable lessons that transfer across tasks. At test time, relevant heuristics are retrieved based on the current task and injected into the agent's context to guide execution. On the Gaia2 benchmark, ERL improves success rate by 7.8% over a ReAct baseline, with large gains in task completion reliability, and outperforms prior experiential learning methods. Through systematic ablations, we find that selective retrieval is essential and that heuristics provide more transferable abstractions than few-shot trajectory prompting. These results demonstrate that reflecting on single-attempt experiences to extract transferable heuristics enables effective agent self-improvement.

Navigation in unfamiliar environments presents a major challenge for robots: while mapping and planning techniques can be used to build up a representation of the world, quickly discovering a path to a desired goal in unfamiliar settings with such methods often requires lengthy mapping and exploration. Humans can rapidly navigate new environments, particularly indoor environments that are laid out logically, by leveraging semantics -- e.g., a kitchen often adjoins a living room, an exit sign indicates the way out, and so forth. Language models can provide robots with such knowledge, but directly using language models to instruct a robot how to reach some destination can also be impractical: while language models might produce a narrative about how to reach some goal, because they are not grounded in real-world observations, this narrative might be arbitrarily wrong. Therefore, in this paper we study how the ``semantic guesswork'' produced by language models can be utilized as a guiding heuristic for planning algorithms. Our method, Language Frontier Guide (LFG), uses the language model to bias exploration of novel real-world environments by incorporating the semantic knowledge stored in language models as a search heuristic for planning with either topological or metric maps. We evaluate LFG in challenging real-world environments and simulated benchmarks, outperforming uninformed exploration and other ways of using language models.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

Research and practice in Intelligent Design (ID) have significantly enhanced engineering innovation, efficiency, quality, and productivity over recent decades, fundamentally reshaping how engineering designers think, behave, and interact with design processes. The recent emergence of Foundation Models (FMs), particularly Large Language Models (LLMs), has demonstrated general knowledge-based reasoning capabilities, and open new paths and avenues for further transformation in engineering design. In this context, this paper introduces Intelligent Design 4.0 (ID 4.0) as an emerging paradigm empowered by agentic AI systems. We review the historical evolution of ID across four distinct stages: rule-based expert systems, task-specific machine learning models, large-scale foundation AI models, and the recent emerging paradigm of multi-agent collaboration. We propose a conceptual framework for ID 4.0 and discuss its potential to support end-to-end automation of engineering design processes through coordinated, autonomous multi-agent-based systems. Furthermore, we discuss future perspectives to enhance and fully realize ID 4.0's potential, including more complex design scenarios, more practical design implementations, novel agent coordination mechanisms, and autonomous design goal-setting with better human value alignment. In sum, these insights lay a foundation for advancing Intelligent Design toward greater adaptivity, autonomy, and effectiveness in addressing increasingly complex design challenges.

The deployment of pre-trained perception models in novel environments often leads to performance degradation due to distributional shifts. Although recent artificial intelligence approaches for metacognition use logical rules to characterize and filter model errors, improving precision often comes at the cost of reduced recall. This paper addresses the hypothesis that leveraging multiple pre-trained models can mitigate this recall reduction. We formulate the challenge of identifying and managing conflicting predictions from various models as a consistency-based abduction problem. The input predictions and the learned error detection rules derived from each model are encoded in a logic program. We then seek an abductive explanation--a subset of model predictions--that maximizes prediction coverage while ensuring the rate of logical inconsistencies (derived from domain constraints) remains below a specified threshold. We propose two algorithms for this knowledge representation task: an exact method based on Integer Programming (IP) and an efficient Heuristic Search (HS). Through extensive experiments on a simulated aerial imagery dataset featuring controlled, complex distributional shifts, we demonstrate that our abduction-based framework outperforms individual models and standard ensemble baselines, achieving, for instance, average relative improvements of approximately 13.6% in F1-score and 16.6% in accuracy across 15 diverse test datasets when compared to the best individual model. Our results validate the use of consistency-based abduction as an effective mechanism to robustly integrate knowledge from multiple imperfect reasoners in challenging, novel scenarios.

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

Efficiently tackling combinatorial reasoning problems, particularly the notorious NP-hard tasks, remains a significant challenge for AI research. Recent efforts have sought to enhance planning by incorporating hierarchical high-level search strategies, known as subgoal methods. While promising, their performance against traditional low-level planners is inconsistent, raising questions about their application contexts. In this study, we conduct an in-depth exploration of subgoal-planning methods for combinatorial reasoning. We identify the attributes pivotal for leveraging the advantages of high-level search: hard-to-learn value functions, complex action spaces, presence of dead ends in the environment, or using data collected from diverse experts. We propose a consistent evaluation methodology to achieve meaningful comparisons between methods and reevaluate the state-of-the-art algorithms.

Greedy search methods like Greedy Best-First Search (GBFS) and Enforced Hill-Climbing (EHC) often struggle when faced with Uninformed Heuristic Regions (UHRs) like heuristic local minima or plateaus. In this work, we theoretically and empirically compare two popular methods for escaping UHRs in breadth-first search (BrFS) and restarting random walks (RRWs). We first derive the expected runtime of escaping a UHR using BrFS and RRWs, based on properties of the UHR and the random walk procedure, and then use these results to identify when RRWs will be faster in expectation than BrFS. We then evaluate these methods for escaping UHRs by comparing standard EHC, which uses BrFS to escape UHRs, to variants of EHC called EHC-RRW, which use RRWs for that purpose. EHC-RRW is shown to have strong expected runtime guarantees in cases where EHC has previously been shown to be effective. We also run experiments with these approaches on PDDL planning benchmarks to better understand their relative effectiveness for escaping UHRs.

Simulated annealing (SA) is a stochastic global optimisation technique applicable to a wide range of discrete and continuous variable problems. Despite its simplicity, the development of an effective SA optimiser for a given problem hinges on a handful of carefully handpicked components; namely, neighbour proposal distribution and temperature annealing schedule. In this work, we view SA from a reinforcement learning perspective and frame the proposal distribution as a policy, which can be optimised for higher solution quality given a fixed computational budget. We demonstrate that this Neural SA with such a learnt proposal distribution, parametrised by small equivariant neural networks, outperforms SA baselines on a number of problems: Rosenbrock's function, the Knapsack problem, the Bin Packing problem, and the Travelling Salesperson problem. We also show that Neural SA scales well to large problems - generalising to significantly larger problems than the ones seen during training - while achieving comparable performance to popular off-the-shelf solvers and other machine learning methods in terms of solution quality and wall-clock time.