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Jan 26

ControlNet++: Improving Conditional Controls with Efficient Consistency Feedback

To enhance the controllability of text-to-image diffusion models, existing efforts like ControlNet incorporated image-based conditional controls. In this paper, we reveal that existing methods still face significant challenges in generating images that align with the image conditional controls. To this end, we propose ControlNet++, a novel approach that improves controllable generation by explicitly optimizing pixel-level cycle consistency between generated images and conditional controls. Specifically, for an input conditional control, we use a pre-trained discriminative reward model to extract the corresponding condition of the generated images, and then optimize the consistency loss between the input conditional control and extracted condition. A straightforward implementation would be generating images from random noises and then calculating the consistency loss, but such an approach requires storing gradients for multiple sampling timesteps, leading to considerable time and memory costs. To address this, we introduce an efficient reward strategy that deliberately disturbs the input images by adding noise, and then uses the single-step denoised images for reward fine-tuning. This avoids the extensive costs associated with image sampling, allowing for more efficient reward fine-tuning. Extensive experiments show that ControlNet++ significantly improves controllability under various conditional controls. For example, it achieves improvements over ControlNet by 7.9% mIoU, 13.4% SSIM, and 7.6% RMSE, respectively, for segmentation mask, line-art edge, and depth conditions.

  • 7 authors
·
Apr 11, 2024 2

CPO: Condition Preference Optimization for Controllable Image Generation

To enhance controllability in text-to-image generation, ControlNet introduces image-based control signals, while ControlNet++ improves pixel-level cycle consistency between generated images and the input control signal. To avoid the prohibitive cost of back-propagating through the sampling process, ControlNet++ optimizes only low-noise timesteps (e.g., t < 200) using a single-step approximation, which not only ignores the contribution of high-noise timesteps but also introduces additional approximation errors. A straightforward alternative for optimizing controllability across all timesteps is Direct Preference Optimization (DPO), a fine-tuning method that increases model preference for more controllable images (I^{w}) over less controllable ones (I^{l}). However, due to uncertainty in generative models, it is difficult to ensure that win--lose image pairs differ only in controllability while keeping other factors, such as image quality, fixed. To address this, we propose performing preference learning over control conditions rather than generated images. Specifically, we construct winning and losing control signals, c^{w} and c^{l}, and train the model to prefer c^{w}. This method, which we term Condition Preference Optimization (CPO), eliminates confounding factors and yields a low-variance training objective. Our approach theoretically exhibits lower contrastive loss variance than DPO and empirically achieves superior results. Moreover, CPO requires less computation and storage for dataset curation. Extensive experiments show that CPO significantly improves controllability over the state-of-the-art ControlNet++ across multiple control types: over 10% error rate reduction in segmentation, 70--80% in human pose, and consistent 2--5% reductions in edge and depth maps.

  • 4 authors
·
Nov 6, 2025

In-Context Distillation with Self-Consistency Cascades: A Simple, Training-Free Way to Reduce LLM Agent Costs

The world currently has an abundance of ideas for how to use new LLM agents, and developers seek to rapidly prototype and test new agentic designs. However, executing agents at scale using high-capacity LLMs incurs high inference costs. We propose a simple method for reducing LLM agent inference costs without incurring the development friction costs associated with LLM fine-tuning (long training cycles, optimization hyperparameter tweaking loops) or manual prompt engineering (laborious trial and error). Most importantly, we introduce in-context distillation, which adapts the idea of knowledge distillation (training a low cost-student model to mimic a high-cost teacher) to an in-context learning setting. Our approach retrieves relevant teacher demonstrations at each agent step and provides them to the student as in-context examples, enabling the student to imitate teacher behavior on-the-fly. We combine in-context distillation with the established idea of self-consistency cascades to know when the trust the student. This adaptive strategy realizes the cost benefits of model specialization while preserving the productivity of working with frozen models. On the multi-step embodied reasoning benchmark ALFWorld, our method matches teacher-level accuracy at 2.5\times lower cost, reducing per-episode costs from \0.059 to 0.024. The upfront demonstration cost amortizes after just 843 episodes, yielding cumulative savings exceeding \34,900 at deployment scale (1M episodes). On AppWorld, a complex agent benchmark requiring multi-step API workflows, we shift the Pareto frontier by achieving a 2times cost reduction$ at iso-accuracy. By reducing operational costs while maintaining rapid experimentation cycles with frozen models, our approach makes advanced agentic systems economically viable for a broader range of applications.

  • 5 authors
·
Dec 2, 2025

COPO: Consistency-Aware Policy Optimization

Reinforcement learning has significantly enhanced the reasoning capabilities of Large Language Models (LLMs) in complex problem-solving tasks. Recently, the introduction of DeepSeek R1 has inspired a surge of interest in leveraging rule-based rewards as a low-cost alternative for computing advantage functions and guiding policy optimization. However, a common challenge observed across many replication and extension efforts is that when multiple sampled responses under a single prompt converge to identical outcomes, whether correct or incorrect, the group-based advantage degenerates to zero. This leads to vanishing gradients and renders the corresponding samples ineffective for learning, ultimately limiting training efficiency and downstream performance. To address this issue, we propose a consistency-aware policy optimization framework that introduces a structured global reward based on outcome consistency, the global loss based on it ensures that, even when model outputs show high intra-group consistency, the training process still receives meaningful learning signals, which encourages the generation of correct and self-consistent reasoning paths from a global perspective. Furthermore, we incorporate an entropy-based soft blending mechanism that adaptively balances local advantage estimation with global optimization, enabling dynamic transitions between exploration and convergence throughout training. Our method introduces several key innovations in both reward design and optimization strategy. We validate its effectiveness through substantial performance gains on multiple mathematical reasoning benchmarks, highlighting the proposed framework's robustness and general applicability. Code of this work has been released at https://github.com/hijih/copo-code.git.

  • 10 authors
·
Aug 6, 2025

Optimizing NOTEARS Objectives via Topological Swaps

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

  • 4 authors
·
May 26, 2023

An End-to-End Reinforcement Learning Approach for Job-Shop Scheduling Problems Based on Constraint Programming

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

  • 3 authors
·
Jun 9, 2023

Cycle Consistency Driven Object Discovery

Developing deep learning models that effectively learn object-centric representations, akin to human cognition, remains a challenging task. Existing approaches facilitate object discovery by representing objects as fixed-size vectors, called ``slots'' or ``object files''. While these approaches have shown promise in certain scenarios, they still exhibit certain limitations. First, they rely on architectural priors which can be unreliable and usually require meticulous engineering to identify the correct objects. Second, there has been a notable gap in investigating the practical utility of these representations in downstream tasks. To address the first limitation, we introduce a method that explicitly optimizes the constraint that each object in a scene should be associated with a distinct slot. We formalize this constraint by introducing consistency objectives which are cyclic in nature. By integrating these consistency objectives into various existing slot-based object-centric methods, we showcase substantial improvements in object-discovery performance. These enhancements consistently hold true across both synthetic and real-world scenes, underscoring the effectiveness and adaptability of the proposed approach. To tackle the second limitation, we apply the learned object-centric representations from the proposed method to two downstream reinforcement learning tasks, demonstrating considerable performance enhancements compared to conventional slot-based and monolithic representation learning methods. Our results suggest that the proposed approach not only improves object discovery, but also provides richer features for downstream tasks.

  • 3 authors
·
Jun 3, 2023

Improved Techniques for Training Consistency Models

Consistency models are a nascent family of generative models that can sample high quality data in one step without the need for adversarial training. Current consistency models achieve optimal sample quality by distilling from pre-trained diffusion models and employing learned metrics such as LPIPS. However, distillation limits the quality of consistency models to that of the pre-trained diffusion model, and LPIPS causes undesirable bias in evaluation. To tackle these challenges, we present improved techniques for consistency training, where consistency models learn directly from data without distillation. We delve into the theory behind consistency training and identify a previously overlooked flaw, which we address by eliminating Exponential Moving Average from the teacher consistency model. To replace learned metrics like LPIPS, we adopt Pseudo-Huber losses from robust statistics. Additionally, we introduce a lognormal noise schedule for the consistency training objective, and propose to double total discretization steps every set number of training iterations. Combined with better hyperparameter tuning, these modifications enable consistency models to achieve FID scores of 2.51 and 3.25 on CIFAR-10 and ImageNet 64times 64 respectively in a single sampling step. These scores mark a 3.5times and 4times improvement compared to prior consistency training approaches. Through two-step sampling, we further reduce FID scores to 2.24 and 2.77 on these two datasets, surpassing those obtained via distillation in both one-step and two-step settings, while narrowing the gap between consistency models and other state-of-the-art generative models.

  • 2 authors
·
Oct 22, 2023 1

R-ConstraintBench: Evaluating LLMs on NP-Complete Scheduling

Effective scheduling under tight resource, timing, and operational constraints underpins large-scale planning across sectors such as capital projects, manufacturing, logistics, and IT fleet transitions. However, the reliability of large language models (LLMs) when reasoning under high-constraint regimes is insufficiently characterized. To address this gap, we present R-ConstraintBench, a scalable framework that evaluates models on Resource-Constrained Project Scheduling Problems (RCPSP), an NP-Complete feasibility class, while difficulty increases via linear growth in constraints. R-ConstraintBench incrementally increases non-redundant precedence constraints in Directed Acyclic Graphs (DAGs) and then introduces downtime, temporal windows, and disjunctive constraints. As an illustrative example, we instantiate the benchmark in a data center migration setting and evaluate multiple LLMs using feasibility and error analysis, identifying degradation thresholds and constraint types most associated with failure. Empirically, strong models are near-ceiling on precedence-only DAGs, but feasibility performance collapses when downtime, temporal windows, and disjunctive constraints interact, implicating constraint interaction, not graph depth, as the principal bottleneck. Performance on clean synthetic ramps also does not guarantee transfer to domain-grounded scenarios, underscoring limited generalization.

  • 2 authors
·
Aug 20, 2025

CycleAlign: Iterative Distillation from Black-box LLM to White-box Models for Better Human Alignment

Language models trained on large-scale corpus often generate content that is harmful, toxic, or contrary to human preferences, making their alignment with human values a critical concern. Reinforcement learning from human feedback (RLHF) with algorithms like PPO is a prevalent approach for alignment but is often complex, unstable, and resource-intensive. Recently, ranking-based alignment methods have emerged, offering stability and effectiveness by replacing the RL framework with supervised fine-tuning, but they are costly due to the need for annotated data. Considering that existing large language models (LLMs) like ChatGPT are already relatively well-aligned and cost-friendly, researchers have begun to align the language model with human preference from AI feedback. The common practices, which unidirectionally distill the instruction-following responses from LLMs, are constrained by their bottleneck. Thus we introduce CycleAlign to distill alignment capabilities from parameter-invisible LLMs (black-box) to a parameter-visible model (white-box) in an iterative manner. With in-context learning (ICL) as the core of the cycle, the black-box models are able to rank the model-generated responses guided by human-craft instruction and demonstrations about their preferences. During iterative interaction, the white-box models also have a judgment about responses generated by them. Consequently, the agreement ranking could be viewed as a pseudo label to dynamically update the in-context demonstrations and improve the preference ranking ability of black-box models. Through multiple interactions, the CycleAlign framework could align the white-box model with the black-box model effectively in a low-resource way. Empirical results illustrate that the model fine-tuned by CycleAlign remarkably exceeds existing methods, and achieves the state-of-the-art performance in alignment with human value.

  • 6 authors
·
Oct 24, 2023 1

Agent Skill Acquisition for Large Language Models via CycleQD

Training large language models to acquire specific skills remains a challenging endeavor. Conventional training approaches often struggle with data distribution imbalances and inadequacies in objective functions that do not align well with task-specific performance. To address these challenges, we introduce CycleQD, a novel approach that leverages the Quality Diversity framework through a cyclic adaptation of the algorithm, along with a model merging based crossover and an SVD-based mutation. In CycleQD, each task's performance metric is alternated as the quality measure while the others serve as the behavioral characteristics. This cyclic focus on individual tasks allows for concentrated effort on one task at a time, eliminating the need for data ratio tuning and simplifying the design of the objective function. Empirical results from AgentBench indicate that applying CycleQD to LLAMA3-8B-INSTRUCT based models not only enables them to surpass traditional fine-tuning methods in coding, operating systems, and database tasks, but also achieves performance on par with GPT-3.5-TURBO, which potentially contains much more parameters, across these domains. Crucially, this enhanced performance is achieved while retaining robust language capabilities, as evidenced by its performance on widely adopted language benchmark tasks. We highlight the key design choices in CycleQD, detailing how these contribute to its effectiveness. Furthermore, our method is general and can be applied to image segmentation models, highlighting its applicability across different domains.

  • 4 authors
·
Oct 16, 2024

Learning How To Ask: Cycle-Consistency Refines Prompts in Multimodal Foundation Models

When LLMs perform zero-shot inference, they typically use a prompt with a task specification, and generate a completion. However, there is no work to explore the possibility of the reverse - going from completion to task specification. In this paper, we employ both directions to perform cycle-supervised learning entirely in-context. Our goal is to create a forward map f : X -> Y (e.g. image -> generated caption), coupled with a backward map g : Y -> X (e.g. caption -> generated image) to construct a cycle-consistency "loss" (formulated as an update to the prompt) to enforce g(f(X)) ~= X. The technique, called CyclePrompt, uses cycle-consistency as a free supervisory signal to iteratively craft the prompt. Importantly, CyclePrompt reinforces model performance without expensive fine-tuning, without training data, and without the complexity of external environments (e.g. compilers, APIs). We demonstrate CyclePrompt in two domains: code generation and image captioning. Our results on the HumanEval coding benchmark put us in first place on the leaderboard among models that do not rely on extra training data or usage of external environments, and third overall. Compared to the GPT4 baseline, we improve accuracy from 80.5% to 87.2%. In the vision-language space, we generate detailed image captions which outperform baseline zero-shot GPT4V captions, when tested against natural (VQAv2) and diagrammatic (FigureQA) visual question-answering benchmarks. To the best of our knowledge, this is the first use of self-supervised learning for prompting.

  • 6 authors
·
Feb 13, 2024

BikeBench: A Bicycle Design Benchmark for Generative Models with Objectives and Constraints

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

  • 5 authors
·
May 25, 2025

Image-Free Timestep Distillation via Continuous-Time Consistency with Trajectory-Sampled Pairs

Timestep distillation is an effective approach for improving the generation efficiency of diffusion models. The Consistency Model (CM), as a trajectory-based framework, demonstrates significant potential due to its strong theoretical foundation and high-quality few-step generation. Nevertheless, current continuous-time consistency distillation methods still rely heavily on training data and computational resources, hindering their deployment in resource-constrained scenarios and limiting their scalability to diverse domains. To address this issue, we propose Trajectory-Backward Consistency Model (TBCM), which eliminates the dependence on external training data by extracting latent representations directly from the teacher model's generation trajectory. Unlike conventional methods that require VAE encoding and large-scale datasets, our self-contained distillation paradigm significantly improves both efficiency and simplicity. Moreover, the trajectory-extracted samples naturally bridge the distribution gap between training and inference, thereby enabling more effective knowledge transfer. Empirically, TBCM achieves 6.52 FID and 28.08 CLIP scores on MJHQ-30k under one-step generation, while reducing training time by approximately 40% compared to Sana-Sprint and saving a substantial amount of GPU memory, demonstrating superior efficiency without sacrificing quality. We further reveal the diffusion-generation space discrepancy in continuous-time consistency distillation and analyze how sampling strategies affect distillation performance, offering insights for future distillation research. GitHub Link: https://github.com/hustvl/TBCM.

  • 8 authors
·
Nov 25, 2025 2

Adaptive Graph Shrinking for Quantum Optimization of Constrained Combinatorial Problems

A range of quantum algorithms, especially those leveraging variational parameterization and circuit-based optimization, are being studied as alternatives for solving classically intractable combinatorial optimization problems (COPs). However, their applicability is limited by hardware constraints, including shallow circuit depth, limited qubit counts, and noise. To mitigate these issues, we propose a hybrid classical--quantum framework based on graph shrinking to reduce the number of variables and constraints in QUBO formulations of COPs, while preserving problem structure. Our approach introduces three key ideas: (i) constraint-aware shrinking that prevents merges that will likely violate problem-specific feasibility constraints, (ii) a verification-and-repair pipeline to correct infeasible solutions post-optimization, and (iii) adaptive strategies for recalculating correlations and controlling the graph shrinking process. We apply our approach to three standard benchmark problems: Multidimensional Knapsack (MDKP), Maximum Independent Set (MIS), and the Quadratic Assignment Problem (QAP). Empirical results show that our approach improves solution feasibility, reduces repair complexity, and enhances quantum optimization quality on hardware-limited instances. These findings demonstrate a scalable pathway for applying near-term quantum algorithms to classically challenging constrained optimization problems.

  • 2 authors
·
Jun 17, 2025

When, Why and How Much? Adaptive Learning Rate Scheduling by Refinement

Learning rate schedules used in practice bear little resemblance to those recommended by theory. We close much of this theory/practice gap, and as a consequence are able to derive new problem-adaptive learning rate schedules. Our key technical contribution is a refined analysis of learning rate schedules for a wide class of optimization algorithms (including SGD). In contrast to most prior works that study the convergence of the average iterate, we study the last iterate, which is what most people use in practice. When considering only worst-case analysis, our theory predicts that the best choice is the linear decay schedule: a popular choice in practice that sets the stepsize proportionally to 1 - t/T, where t is the current iteration and T is the total number of steps. To go beyond this worst-case analysis, we use the observed gradient norms to derive schedules refined for any particular task. These refined schedules exhibit learning rate warm-up and rapid learning rate annealing near the end of training. Ours is the first systematic approach to automatically yield both of these properties. We perform the most comprehensive evaluation of learning rate schedules to date, evaluating across 10 diverse deep learning problems, a series of LLMs, and a suite of logistic regression problems. We validate that overall, the linear-decay schedule matches or outperforms all commonly used default schedules including cosine annealing, and that our schedule refinement method gives further improvements.

  • 4 authors
·
Oct 11, 2023

Scaling physics-informed hard constraints with mixture-of-experts

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

  • 3 authors
·
Feb 20, 2024

The Trickle-down Impact of Reward (In-)consistency on RLHF

Standard practice within Reinforcement Learning from Human Feedback (RLHF) involves optimizing against a Reward Model (RM), which itself is trained to reflect human preferences for desirable generations. A notable subject that is understudied is the (in-)consistency of RMs -- whether they can recognize the semantic changes to different prompts and appropriately adapt their reward assignments -- and their impact on the downstream RLHF model. In this paper, we visit a series of research questions relevant to RM inconsistency: (1) How can we measure the consistency of reward models? (2) How consistent are the existing RMs and how can we improve them? (3) In what ways does reward inconsistency influence the chatbots resulting from the RLHF model training? We propose Contrast Instructions -- a benchmarking strategy for the consistency of RM. Each example in Contrast Instructions features a pair of lexically similar instructions with different ground truth responses. A consistent RM is expected to rank the corresponding instruction and response higher than other combinations. We observe that current RMs trained with the standard ranking objective fail miserably on Contrast Instructions compared to average humans. To show that RM consistency can be improved efficiently without using extra training budget, we propose two techniques ConvexDA and RewardFusion, which enhance reward consistency through extrapolation during the RM training and inference stage, respectively. We show that RLHF models trained with a more consistent RM yield more useful responses, suggesting that reward inconsistency exhibits a trickle-down effect on the downstream RLHF process.

  • 8 authors
·
Sep 28, 2023

Safe and Real-Time Consistent Planning for Autonomous Vehicles in Partially Observed Environments via Parallel Consensus Optimization

Ensuring safety and driving consistency is a significant challenge for autonomous vehicles operating in partially observed environments. This work introduces a consistent parallel trajectory optimization (CPTO) approach to enable safe and consistent driving in dense obstacle environments with perception uncertainties. Utilizing discrete-time barrier function theory, we develop a consensus safety barrier module that ensures reliable safety coverage within the spatiotemporal trajectory space across potential obstacle configurations. Following this, a bi-convex parallel trajectory optimization problem is derived that facilitates decomposition into a series of low-dimensional quadratic programming problems to accelerate computation. By leveraging the consensus alternating direction method of multipliers (ADMM) for parallel optimization, each generated candidate trajectory corresponds to a possible environment configuration while sharing a common consensus trajectory segment. This ensures driving safety and consistency when executing the consensus trajectory segment for the ego vehicle in real time. We validate our CPTO framework through extensive comparisons with state-of-the-art baselines across multiple driving tasks in partially observable environments. Our results demonstrate improved safety and consistency using both synthetic and real-world traffic datasets.

  • 5 authors
·
Sep 16, 2024

ACCORD: Autoregressive Constraint-satisfying Generation for COmbinatorial Optimization with Routing and Dynamic attention

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, yet their direct application to NP-hard combinatorial problems (CPs) remains underexplored. In this work, we systematically investigate the reasoning abilities of LLMs on a variety of NP-hard combinatorial optimization tasks and introduce ACCORD: Autoregressive Constraint-satisfying generation for COmbinatorial optimization with Routing and Dynamic attention. ACCORD features a novel dataset representation and model architecture that leverage the autoregressive nature of LLMs to dynamically enforce feasibility constraints, coupled with attention-based routing to activate problem-specific LoRA modules. We also present the ACCORD-90k supervised dataset, covering six NP-hard combinatorial problems: TSP, VRP, Knapsack, FlowShop, JSSP, and BinPacking. Extensive experiments demonstrate that our ACCORD model, built on an 8B-parameter Llama backbone, consistently outperforms standard prompting and input-output methods, even when compared to much larger LLMs, such as gpt-4. Ablation studies further show that our output structure enhances solution feasibility. To the best of our knowledge, this is the first large-scale, end-to-end framework for exploring the applications of LLMs to a broad spectrum of combinatorial optimization problems. The codes are publicly available at https://github.com/starjob42/ACCORD

  • 3 authors
·
May 22, 2025

FORGE: Foundational Optimization Representations from Graph Embeddings

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

  • 2 authors
·
Aug 27, 2025

Cutting Slack: Quantum Optimization with Slack-Free Methods for Combinatorial Benchmarks

Constraint handling remains a key bottleneck in quantum combinatorial optimization. While slack-variable-based encodings are straightforward, they significantly increase qubit counts and circuit depth, challenging the scalability of quantum solvers. In this work, we investigate a suite of Lagrangian-based optimization techniques including dual ascent, bundle methods, cutting plane approaches, and augmented Lagrangian formulations for solving constrained combinatorial problems on quantum simulators and hardware. Our framework is applied to three representative NP-hard problems: the Travelling Salesman Problem (TSP), the Multi-Dimensional Knapsack Problem (MDKP), and the Maximum Independent Set (MIS). We demonstrate that MDKP and TSP, with their inequality-based or degree-constrained structures, allow for slack-free reformulations, leading to significant qubit savings without compromising performance. In contrast, MIS does not inherently benefit from slack elimination but still gains in feasibility and objective quality from principled Lagrangian updates. We benchmark these methods across classically hard instances, analyzing trade-offs in qubit usage, feasibility, and optimality gaps. Our results highlight the flexibility of Lagrangian formulations as a scalable alternative to naive QUBO penalization, even when qubit savings are not always achievable. This work provides practical insights for deploying constraint-aware quantum optimization pipelines, with applications in logistics, network design, and resource allocation.

  • 2 authors
·
Jul 16, 2025

Assessment of Data Consistency through Cascades of Independently Recurrent Inference Machines for fast and robust accelerated MRI reconstruction

Machine Learning methods can learn how to reconstruct Magnetic Resonance Images and thereby accelerate acquisition, which is of paramount importance to the clinical workflow. Physics-informed networks incorporate the forward model of accelerated MRI reconstruction in the learning process. With increasing network complexity, robustness is not ensured when reconstructing data unseen during training. We aim to embed data consistency (DC) in deep networks while balancing the degree of network complexity. While doing so, we will assess whether either explicit or implicit enforcement of DC in varying network architectures is preferred to optimize performance. We propose a scheme called Cascades of Independently Recurrent Inference Machines (CIRIM) to assess DC through unrolled optimization. Herein we assess DC both implicitly by gradient descent and explicitly by a designed term. Extensive comparison of the CIRIM to CS as well as to other methods is performed: the E2EVN, CascadeNet, KIKINet, LPDNet, RIM, IRIM, and UNet. Models were trained and evaluated on T1-weighted and FLAIR contrast brain data, and T2-weighted knee data. Both 1D and 2D undersampling patterns were evaluated. Robustness was tested by reconstructing 7.5x prospectively undersampled 3D FLAIR MRI data of Multiple Sclerosis (MS) patients with white matter lesions. The CIRIM performed best when implicitly enforcing DC, while the E2EVN required an explicit DC formulation. In reconstructing MS patient data, prospectively acquired with a sampling pattern unseen during model training, the CIRIM maintained lesion contrast while efficiently denoising the images. The CIRIM showed highly promising generalization capabilities maintaining a very fair trade-off between reconstructed image quality and fast reconstruction times, which is crucial in the clinical workflow.

  • 5 authors
·
Nov 30, 2021

Improved Training Technique for Latent Consistency Models

Consistency models are a new family of generative models capable of producing high-quality samples in either a single step or multiple steps. Recently, consistency models have demonstrated impressive performance, achieving results on par with diffusion models in the pixel space. However, the success of scaling consistency training to large-scale datasets, particularly for text-to-image and video generation tasks, is determined by performance in the latent space. In this work, we analyze the statistical differences between pixel and latent spaces, discovering that latent data often contains highly impulsive outliers, which significantly degrade the performance of iCT in the latent space. To address this, we replace Pseudo-Huber losses with Cauchy losses, effectively mitigating the impact of outliers. Additionally, we introduce a diffusion loss at early timesteps and employ optimal transport (OT) coupling to further enhance performance. Lastly, we introduce the adaptive scaling-c scheduler to manage the robust training process and adopt Non-scaling LayerNorm in the architecture to better capture the statistics of the features and reduce outlier impact. With these strategies, we successfully train latent consistency models capable of high-quality sampling with one or two steps, significantly narrowing the performance gap between latent consistency and diffusion models. The implementation is released here: https://github.com/quandao10/sLCT/

  • 5 authors
·
Feb 3, 2025 2

CP-Bench: Evaluating Large Language Models for Constraint Modelling

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

  • 3 authors
·
Jun 6, 2025

Neur2RO: Neural Two-Stage Robust Optimization

Robust optimization provides a mathematical framework for modeling and solving decision-making problems under worst-case uncertainty. This work addresses two-stage robust optimization (2RO) problems (also called adjustable robust optimization), wherein first-stage and second-stage decisions are made before and after uncertainty is realized, respectively. This results in a nested min-max-min optimization problem which is extremely challenging computationally, especially when the decisions are discrete. We propose Neur2RO, an efficient machine learning-driven instantiation of column-and-constraint generation (CCG), a classical iterative algorithm for 2RO. Specifically, we learn to estimate the value function of the second-stage problem via a novel neural network architecture that is easy to optimize over by design. Embedding our neural network into CCG yields high-quality solutions quickly as evidenced by experiments on two 2RO benchmarks, knapsack and capital budgeting. For knapsack, Neur2RO finds solutions that are within roughly 2% of the best-known values in a few seconds compared to the three hours of the state-of-the-art exact branch-and-price algorithm; for larger and more complex instances, Neur2RO finds even better solutions. For capital budgeting, Neur2RO outperforms three variants of the k-adaptability algorithm, particularly on the largest instances, with a 10 to 100-fold reduction in solution time. Our code and data are available at https://github.com/khalil-research/Neur2RO.

  • 4 authors
·
Oct 6, 2023

Continual evaluation for lifelong learning: Identifying the stability gap

Time-dependent data-generating distributions have proven to be difficult for gradient-based training of neural networks, as the greedy updates result in catastrophic forgetting of previously learned knowledge. Despite the progress in the field of continual learning to overcome this forgetting, we show that a set of common state-of-the-art methods still suffers from substantial forgetting upon starting to learn new tasks, except that this forgetting is temporary and followed by a phase of performance recovery. We refer to this intriguing but potentially problematic phenomenon as the stability gap. The stability gap had likely remained under the radar due to standard practice in the field of evaluating continual learning models only after each task. Instead, we establish a framework for continual evaluation that uses per-iteration evaluation and we define a new set of metrics to quantify worst-case performance. Empirically we show that experience replay, constraint-based replay, knowledge-distillation, and parameter regularization methods are all prone to the stability gap; and that the stability gap can be observed in class-, task-, and domain-incremental learning benchmarks. Additionally, a controlled experiment shows that the stability gap increases when tasks are more dissimilar. Finally, by disentangling gradients into plasticity and stability components, we propose a conceptual explanation for the stability gap.

  • 3 authors
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May 26, 2022

Efficient and Modular Implicit Differentiation

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

  • 8 authors
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May 31, 2021

Convergent Graph Solvers

We propose the convergent graph solver (CGS), a deep learning method that learns iterative mappings to predict the properties of a graph system at its stationary state (fixed point) with guaranteed convergence. CGS systematically computes the fixed points of a target graph system and decodes them to estimate the stationary properties of the system without the prior knowledge of existing solvers or intermediate solutions. The forward propagation of CGS proceeds in three steps: (1) constructing the input dependent linear contracting iterative maps, (2) computing the fixed-points of the linear maps, and (3) decoding the fixed-points to estimate the properties. The contractivity of the constructed linear maps guarantees the existence and uniqueness of the fixed points following the Banach fixed point theorem. To train CGS efficiently, we also derive a tractable analytical expression for its gradient by leveraging the implicit function theorem. We evaluate the performance of CGS by applying it to various network-analytic and graph benchmark problems. The results indicate that CGS has competitive capabilities for predicting the stationary properties of graph systems, irrespective of whether the target systems are linear or non-linear. CGS also shows high performance for graph classification problems where the existence or the meaning of a fixed point is hard to be clearly defined, which highlights the potential of CGS as a general graph neural network architecture.

  • 3 authors
·
Jun 3, 2021

Improving Consistency in Retrieval-Augmented Systems with Group Similarity Rewards

RAG systems are increasingly deployed in high-stakes domains where users expect outputs to be consistent across semantically equivalent queries. However, existing systems often exhibit significant inconsistencies due to variability in both the retriever and generator (LLM), undermining trust and reliability. In this work, we focus on information consistency, i.e., the requirement that outputs convey the same core content across semantically equivalent inputs. We introduce a principled evaluation framework that decomposes RAG consistency into retriever-level, generator-level, and end-to-end components, helping identify inconsistency sources. To improve consistency, we propose Paraphrased Set Group Relative Policy Optimization (PS-GRPO), an RL approach that leverages multiple rollouts across paraphrased set to assign group similarity rewards. We leverage PS-GRPO to achieve Information Consistent RAG (Con-RAG), training the generator to produce consistent outputs across paraphrased queries and remain robust to retrieval-induced variability. Because exact reward computation over paraphrase sets is computationally expensive, we also introduce a scalable approximation method that retains effectiveness while enabling efficient, large-scale training. Empirical evaluations across short-form, multi-hop, and long-form QA benchmarks demonstrate that Con-RAG significantly improves both consistency and accuracy over strong baselines, even in the absence of explicit ground-truth supervision. Our work provides practical solutions for evaluating and building reliable RAG systems for safety-critical deployments.

  • 7 authors
·
Oct 5, 2025

LLMOPT: Learning to Define and Solve General Optimization Problems from Scratch

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application of optimization-based decision making. To automate problem formulation and solving, leveraging large language models (LLMs) has emerged as a potential way. However, this kind of approach suffers from the issue of optimization generalization. Namely, the accuracy of most current LLM-based methods and the generality of optimization problem types that they can model are still limited. In this paper, we propose a unified learning-based framework called LLMOPT to boost optimization generalization. Starting from the natural language descriptions of optimization problems and a pre-trained LLM, LLMOPT constructs the introduced five-element formulation as a universal model for learning to define diverse optimization problem types. Then, LLMOPT employs the multi-instruction tuning to enhance both problem formalization and solver code generation accuracy and generality. After that, to prevent hallucinations in LLMs, such as sacrificing solving accuracy to avoid execution errors, the model alignment and self-correction mechanism are adopted in LLMOPT. We evaluate the optimization generalization ability of LLMOPT and compared methods across six real-world datasets covering roughly 20 fields such as health, environment, energy and manufacturing, etc. Extensive experiment results show that LLMOPT is able to model various optimization problem types such as linear/nonlinear programming, mixed integer programming, and combinatorial optimization, and achieves a notable 11.08% average solving accuracy improvement compared with the state-of-the-art methods. The code is available at https://github.com/caigaojiang/LLMOPT.

  • 7 authors
·
Oct 17, 2024

ORGEval: Graph-Theoretic Evaluation of LLMs in Optimization Modeling

Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.

  • 11 authors
·
Oct 31, 2025

BQ-NCO: Bisimulation Quotienting for Efficient Neural Combinatorial Optimization

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

  • 5 authors
·
Jan 9, 2023

RL for Consistency Models: Faster Reward Guided Text-to-Image Generation

Reinforcement learning (RL) has improved guided image generation with diffusion models by directly optimizing rewards that capture image quality, aesthetics, and instruction following capabilities. However, the resulting generative policies inherit the same iterative sampling process of diffusion models that causes slow generation. To overcome this limitation, consistency models proposed learning a new class of generative models that directly map noise to data, resulting in a model that can generate an image in as few as one sampling iteration. In this work, to optimize text-to-image generative models for task specific rewards and enable fast training and inference, we propose a framework for fine-tuning consistency models via RL. Our framework, called Reinforcement Learning for Consistency Model (RLCM), frames the iterative inference process of a consistency model as an RL procedure. RLCM improves upon RL fine-tuned diffusion models on text-to-image generation capabilities and trades computation during inference time for sample quality. Experimentally, we show that RLCM can adapt text-to-image consistency models to objectives that are challenging to express with prompting, such as image compressibility, and those derived from human feedback, such as aesthetic quality. Comparing to RL finetuned diffusion models, RLCM trains significantly faster, improves the quality of the generation measured under the reward objectives, and speeds up the inference procedure by generating high quality images with as few as two inference steps. Our code is available at https://rlcm.owenoertell.com

  • 5 authors
·
Mar 25, 2024 3

Scaling Gaussian Process Optimization by Evaluating a Few Unique Candidates Multiple Times

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

  • 5 authors
·
Jan 30, 2022

In defense of parameter sharing for model-compression

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

  • 2 authors
·
Oct 17, 2023

Linear Combination of Saved Checkpoints Makes Consistency and Diffusion Models Better

Diffusion Models (DM) and Consistency Models (CM) are two types of popular generative models with good generation quality on various tasks. When training DM and CM, intermediate weight checkpoints are not fully utilized and only the last converged checkpoint is used. In this work, we find that high-quality model weights often lie in a basin which cannot be reached by SGD but can be obtained by proper checkpoint averaging. Based on these observations, we propose LCSC, a simple but effective and efficient method to enhance the performance of DM and CM, by combining checkpoints along the training trajectory with coefficients deduced from evolutionary search. We demonstrate the value of LCSC through two use cases: (a) Reducing training cost. With LCSC, we only need to train DM/CM with fewer number of iterations and/or lower batch sizes to obtain comparable sample quality with the fully trained model. For example, LCSC achieves considerable training speedups for CM (23times on CIFAR-10 and 15times on ImageNet-64). (b) Enhancing pre-trained models. Assuming full training is already done, LCSC can further improve the generation quality or speed of the final converged models. For example, LCSC achieves better performance using 1 number of function evaluation (NFE) than the base model with 2 NFE on consistency distillation, and decreases the NFE of DM from 15 to 9 while maintaining the generation quality on CIFAR-10. Our code is available at https://github.com/imagination-research/LCSC.

  • 11 authors
·
Apr 2, 2024

CoCo-MILP: Inter-Variable Contrastive and Intra-Constraint Competitive MILP Solution Prediction

Mixed-Integer Linear Programming (MILP) is a cornerstone of combinatorial optimization, yet solving large-scale instances remains a significant computational challenge. Recently, Graph Neural Networks (GNNs) have shown promise in accelerating MILP solvers by predicting high-quality solutions. However, we identify that existing methods misalign with the intrinsic structure of MILP problems at two levels. At the leaning objective level, the Binary Cross-Entropy (BCE) loss treats variables independently, neglecting their relative priority and yielding plausible logits. At the model architecture level, standard GNN message passing inherently smooths the representations across variables, missing the natural competitive relationships within constraints. To address these challenges, we propose CoCo-MILP, which explicitly models inter-variable Contrast and intra-constraint Competition for advanced MILP solution prediction. At the objective level, CoCo-MILP introduces the Inter-Variable Contrastive Loss (VCL), which explicitly maximizes the embedding margin between variables assigned one versus zero. At the architectural level, we design an Intra-Constraint Competitive GNN layer that, instead of homogenizing features, learns to differentiate representations of competing variables within a constraint, capturing their exclusionary nature. Experimental results on standard benchmarks demonstrate that CoCo-MILP significantly outperforms existing learning-based approaches, reducing the solution gap by up to 68.12% compared to traditional solvers. Our code is available at https://github.com/happypu326/CoCo-MILP.

  • 8 authors
·
Nov 12, 2025

Discovering Heuristics with Large Language Models (LLMs) for Mixed-Integer Programs: Single-Machine Scheduling

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.

  • 4 authors
·
Oct 27, 2025

PARL: A Unified Framework for Policy Alignment in Reinforcement Learning

We present a novel unified bilevel optimization-based framework, PARL, formulated to address the recently highlighted critical issue of policy alignment in reinforcement learning using utility or preference-based feedback. We identify a major gap within current algorithmic designs for solving policy alignment due to a lack of precise characterization of the dependence of the alignment objective on the data generated by policy trajectories. This shortfall contributes to the sub-optimal performance observed in contemporary algorithms. Our framework addressed these concerns by explicitly parameterizing the distribution of the upper alignment objective (reward design) by the lower optimal variable (optimal policy for the designed reward). Interestingly, from an optimization perspective, our formulation leads to a new class of stochastic bilevel problems where the stochasticity at the upper objective depends upon the lower-level variable. To demonstrate the efficacy of our formulation in resolving alignment issues in RL, we devised an algorithm named A-PARL to solve PARL problem, establishing sample complexity bounds of order O(1/T). Our empirical results substantiate that the proposed PARL can address the alignment concerns in RL by showing significant improvements (up to 63\% in terms of required samples) for policy alignment in large-scale environments of the Deepmind control suite and Meta world tasks.

  • 7 authors
·
Aug 3, 2023

Pre-trained knowledge elevates large language models beyond traditional chemical reaction optimizers

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.

  • 5 authors
·
Aug 27, 2025

Bridging Internal Probability and Self-Consistency for Effective and Efficient LLM Reasoning

Recent advancements in large language models (LLMs) have demonstrated remarkable reasoning capabilities. However, single-shot inference often yields unreliable results for complex reasoning tasks, leading researchers to explore multiple reasoning paths through methods such as perplexity and self-consistency. In this paper, we present the first theoretical error decomposition analysis of these techniques, breaking down their error into estimation error and model error. Our analysis reveals a fundamental trade-off: perplexity methods suffer from substantial model error due to the absence of a proper consistency function, while self-consistency exhibits high estimation error due to a slow error convergence rate. To overcome these limitations, we propose Reasoning-Pruning Perplexity Consistency (RPC). This approach combines Perplexity Consistency, which seamlessly integrates LLM perplexity with self-consistency, and Reasoning Pruning, which eliminates low-probability reasoning paths to effectively prevent the degeneration of estimation error reduction. Theoretical analysis demonstrates that RPC not only accelerates the convergence rate of estimation error to an exponential level but also holds strong potential for further reducing model error. Extensive empirical evaluations on seven benchmark datasets confirm that RPC can significantly improve reasoning performance, sample efficiency, and confidence reliability.

  • 7 authors
·
Feb 1, 2025

Priority Matters: Optimising Kubernetes Clusters Usage with Constraint-Based Pod Packing

Distributed applications employ Kubernetes for scalable, fault-tolerant deployments over computer clusters, where application components run in groups of containers called pods. The scheduler, at the heart of Kubernetes' architecture, determines the placement of pods given their priority and resource requirements on cluster nodes. To quickly allocate pods, the scheduler uses lightweight heuristics that can lead to suboptimal placements and resource fragmentation, preventing allocations of otherwise deployable pods on the available nodes. We propose the usage of constraint programming to find the optimal allocation of pods satisfying all their priorities and resource requests. Implementation-wise, our solution comes as a plug-in to the default scheduler that operates as a fallback mechanism when some pods cannot be allocated. Using the OR-Tools constraint solver, our experiments on small-to-mid-sized clusters indicate that, within a 1-second scheduling window, our approach places more higher-priority pods than the default scheduler (possibly demonstrating allocation optimality) in over 44\% of realisable allocation scenarios where the default scheduler fails, while certifying that the default scheduler's placement is already optimal in over 19\% of scenarios. With a 10-second window, our approach improves placements in over 73\% and still certifies that the default scheduler's placement is already optimal in over 19\% of scenarios.

  • 3 authors
·
Nov 11, 2025