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Oct 9

A Hybrid End-to-End and Modular Control Architecture Toward Safe Vehicle Lateral Control: Combining Soft Actor-Critic with Model Predictive Control

Connected and automated vehicles demand lateral controllers that are simultaneously accurate, low-effort, and safe under model error and sensor noise. Modular controllers such as model predictive control (MPC) are interpretable and constraint-aware but rely on accurate models and hand-tuned weights. End-to-end learned policies, in particular continuous-action deep reinforcement learning, are adaptable and require no hand-designed control law, but offer no intrinsic safety guarantees and limited interpretability. This paper presents a hybrid architecture that combines an end-to-end Soft Actor-Critic (SAC) policy with a constrained linear MPC into a single steering command, using the MPC's first-step optimum as the model-based anchor and a single monotone blending coefficient that interpolates between the two paradigms. The architecture is evaluated on a linearized lateral bicycle model against a PID baseline, a tuned linear MPC, and a stand-alone SAC policy, across nominal, single-axis robustness, and multi-initial-condition ensemble experiments. The hybrid retains the tracking quality of stand-alone SAC while remaining inside the MPC's actuator envelope and preserving a deterministic, model-based contribution to every steering command. The architecture provides an actuator-envelope guarantee by construction but does not establish recursive feasibility or terminal invariance, and the closed-form blend does not prevent all corner-case divergences at the boundary of the training distribution. A corner-case analysis shows that the blend attenuates but cannot prevent failure under distribution shift, motivating a connectivity-aware extension in which the blending coefficient is scheduled by vehicle-to-everything (V2X) signals to restore model-based authority. Limitations and a path toward a constrained-QP predictive safety filter are discussed.

  • 1 authors
·
Aug 17

Adaptive Legged Locomotion via Online Learning for Model Predictive Control

We provide an algorithm for adaptive legged locomotion via online learning and model predictive control. The algorithm is composed of two interacting modules: model predictive control (MPC) and online learning of residual dynamics. The residual dynamics can represent modeling errors and external disturbances. We are motivated by the future of autonomy where quadrupeds will autonomously perform complex tasks despite real-world unknown uncertainty, such as unknown payload and uneven terrains. The algorithm uses random Fourier features to approximate the residual dynamics in reproducing kernel Hilbert spaces. Then, it employs MPC based on the current learned model of the residual dynamics. The model is updated online in a self-supervised manner using least squares based on the data collected while controlling the quadruped. The algorithm enjoys sublinear dynamic regret, defined as the suboptimality against an optimal clairvoyant controller that knows how the residual dynamics. We validate our algorithm in Gazebo and MuJoCo simulations, where the quadruped aims to track reference trajectories. The Gazebo simulations include constant unknown external forces up to 12g, where g is the gravity vector, in flat terrain, slope terrain with 20degree inclination, and rough terrain with 0.25m height variation. The MuJoCo simulations include time-varying unknown disturbances with payload up to 8~kg and time-varying ground friction coefficients in flat terrain.

  • 3 authors
·
Oct 17, 2025

Efficient MPC-Based Energy Management System for Secure and Cost-Effective Microgrid Operations

Model predictive control (MPC)-based energy management systems (EMS) are essential for ensuring optimal, secure, and stable operation in microgrids with high penetrations of distributed energy resources. However, due to the high computational cost for the decision-making, the conventional MPC-based EMS typically adopts a simplified integrated-bus power balance model. While this simplification is effective for small networks, large-scale systems require a more detailed branch flow model to account for the increased impact of grid power losses and security constraints. This work proposes an efficient and reliable MPC-based EMS that incorporates power-loss effects and grid-security constraints. %, while adaptively shaping the battery power profile in response to online renewable inputs, achieving reduced operational costs. It enhances system reliability, reduces operational costs, and shows strong potential for online implementation due to its reduced computational effort. Specifically, a second-order cone program (SOCP) branch flow relaxation is integrated into the constraint set, yielding a convex formulation that guarantees globally optimal solutions with high computational efficiency. Owing to the radial topology of the microgrid, this relaxation is practically tight, ensuring equivalence to the original problem. Building on this foundation, an online demand response (DR) module is designed to further reduce the operation cost through peak shaving. To the best of our knowledge, no prior MPC-EMS framework has simultaneously modeled losses and security constraints while coordinating flexible loads within a unified architecture. The developed framework enables secure operation with effective peak shaving and reduced total cost. The effectiveness of the proposed method is validated on 10-bus, 18-bus, and 33-bus systems.

  • 4 authors
·
Sep 23, 2025

DC-Solver: Improving Predictor-Corrector Diffusion Sampler via Dynamic Compensation

Diffusion probabilistic models (DPMs) have shown remarkable performance in visual synthesis but are computationally expensive due to the need for multiple evaluations during the sampling. Recent predictor-corrector diffusion samplers have significantly reduced the required number of function evaluations (NFE), but inherently suffer from a misalignment issue caused by the extra corrector step, especially with a large classifier-free guidance scale (CFG). In this paper, we introduce a new fast DPM sampler called DC-Solver, which leverages dynamic compensation (DC) to mitigate the misalignment of the predictor-corrector samplers. The dynamic compensation is controlled by compensation ratios that are adaptive to the sampling steps and can be optimized on only 10 datapoints by pushing the sampling trajectory toward a ground truth trajectory. We further propose a cascade polynomial regression (CPR) which can instantly predict the compensation ratios on unseen sampling configurations. Additionally, we find that the proposed dynamic compensation can also serve as a plug-and-play module to boost the performance of predictor-only samplers. Extensive experiments on both unconditional sampling and conditional sampling demonstrate that our DC-Solver can consistently improve the sampling quality over previous methods on different DPMs with a wide range of resolutions up to 1024times1024. Notably, we achieve 10.38 FID (NFE=5) on unconditional FFHQ and 0.394 MSE (NFE=5, CFG=7.5) on Stable-Diffusion-2.1. Code is available at https://github.com/wl-zhao/DC-Solver

  • 4 authors
·
Sep 5, 2024

Signal Temporal Logic Neural Predictive Control

Ensuring safety and meeting temporal specifications are critical challenges for long-term robotic tasks. Signal temporal logic (STL) has been widely used to systematically and rigorously specify these requirements. However, traditional methods of finding the control policy under those STL requirements are computationally complex and not scalable to high-dimensional or systems with complex nonlinear dynamics. Reinforcement learning (RL) methods can learn the policy to satisfy the STL specifications via hand-crafted or STL-inspired rewards, but might encounter unexpected behaviors due to ambiguity and sparsity in the reward. In this paper, we propose a method to directly learn a neural network controller to satisfy the requirements specified in STL. Our controller learns to roll out trajectories to maximize the STL robustness score in training. In testing, similar to Model Predictive Control (MPC), the learned controller predicts a trajectory within a planning horizon to ensure the satisfaction of the STL requirement in deployment. A backup policy is designed to ensure safety when our controller fails. Our approach can adapt to various initial conditions and environmental parameters. We conduct experiments on six tasks, where our method with the backup policy outperforms the classical methods (MPC, STL-solver), model-free and model-based RL methods in STL satisfaction rate, especially on tasks with complex STL specifications while being 10X-100X faster than the classical methods.

  • 2 authors
·
Sep 10, 2023

A Unified Sampling Framework for Solver Searching of Diffusion Probabilistic Models

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed solver schedule has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose S^3, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that S^3 can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 10 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply S^3 to Stable-Diffusion model and get an acceleration ratio of 2times, showing the feasibility of sampling in very few steps without retraining the neural network.

  • 4 authors
·
Dec 12, 2023

DPM-Solver: A Fast ODE Solver for Diffusion Probabilistic Model Sampling in Around 10 Steps

Diffusion probabilistic models (DPMs) are emerging powerful generative models. Despite their high-quality generation performance, DPMs still suffer from their slow sampling as they generally need hundreds or thousands of sequential function evaluations (steps) of large neural networks to draw a sample. Sampling from DPMs can be viewed alternatively as solving the corresponding diffusion ordinary differential equations (ODEs). In this work, we propose an exact formulation of the solution of diffusion ODEs. The formulation analytically computes the linear part of the solution, rather than leaving all terms to black-box ODE solvers as adopted in previous works. By applying change-of-variable, the solution can be equivalently simplified to an exponentially weighted integral of the neural network. Based on our formulation, we propose DPM-Solver, a fast dedicated high-order solver for diffusion ODEs with the convergence order guarantee. DPM-Solver is suitable for both discrete-time and continuous-time DPMs without any further training. Experimental results show that DPM-Solver can generate high-quality samples in only 10 to 20 function evaluations on various datasets. We achieve 4.70 FID in 10 function evaluations and 2.87 FID in 20 function evaluations on the CIFAR10 dataset, and a 4sim 16times speedup compared with previous state-of-the-art training-free samplers on various datasets.

  • 6 authors
·
Jun 2, 2022

DPM-Solver-v3: Improved Diffusion ODE Solver with Empirical Model Statistics

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

  • 4 authors
·
Oct 20, 2023 2

Operational Control of a Multi-energy District Heating System: Comparison of Model-Predictive Control and Rule-Based Control

This study focuses on operational control strategies for a multi-energy District Heating Network (DHN). Two control strategies are investigated and compared: (i) a reactive rule-based control (RBC) and (ii) a model predictive control (MPC). For the purpose of the study a small scale district heating network is modelled using Modelica. The production plant combines a heat pump, a gas boiler and a thermal solar field on the production side with a storage tank for flexibility purposes. On the consumption side, the virtual buildings are aggregated into a single consumer. We use our co-simulation and control platform, called Pegase, to implement the studied strategies. For both strategies the goal is to meet the consumers' demand while satisfying technical constraints. In addition MPC has the objective to minimize the operational costs, taking into account variable electricity prices and availability of solar thermal resource. Different scenarios are also defined and compared to study the effect of the heat plant sizing and forecasting error. The operational cost is reduced when switching from RBC to a MPC. As can be expected, MPC is more efficient when dealing with variable energy costs, intermittent solar energy and storage capabilities. This study also demonstrates how our tools enable an easy coupling of Modelica-based simulation with various control strategies. It especially supports the implementation and validation of complex MPC strategies in an efficient way, and yearly simulations are performed within 20 minutes.

  • 4 authors
·
Jun 17, 2025

Beyond Policy Alignment: Closing the Planning-Learning Loop for Robot Control with Learned World Models

Planning with learned world models combines online trajectory optimization with learned value and policy functions for high-dimensional control. Because the planner determines the experience used for learning, while the learned critic and actor in turn score and propose future plans, planning and learning form a closed feedback loop. TD-MPC is a prominent instance of this design. Recent policy-constrained variants strengthen one part of the loop by aligning the learned policy with planner behavior. We introduce PL-MPC (Planning-Learning MPC), which additionally modifies critic supervision and planner terminal-value estimation. Hybrid multi-step TD targets expose critic updates to more realized rewards before bootstrapping; disagreement-aware terminal estimates reduce the influence of uncertain critic values during MPPI planning; and return-weighted actor distillation emphasizes planner-executed actions from high-return episodes. The world-model architecture and MPPI optimizer are otherwise unchanged. On HumanoidBench, the largest gains occur on balance-hard, where Total Average Return (TAR) increases from 98pm18 to 387pm255, and hurdle, from 199pm13 to 466pm200; performance across the broader benchmark remains task dependent, and PL-MPC remains competitive on DMControl. Controlled ablations show different component interactions across the two tasks. We further demonstrate zero-shot sim-to-real transfer on wrench-nut alignment with a 7-DoF KUKA IIWA14, obtaining higher observed success than TD-M(PC)^2 on the training object size and two unseen sizes. Code and data will be available at: https://pl-mpc-humanoid.github.io.

  • 3 authors
·
Sep 29

MPS-Prover: Advancing Stepwise Theorem Proving by Multi-Perspective Search and Data Curation

Automated Theorem Proving (ATP) in formal languages remains a formidable challenge in AI, demanding rigorous logical deduction and navigating vast search spaces. While large language models (LLMs) have shown promising performance, existing stepwise provers often suffer from biased search guidance, leading to inefficiencies and suboptimal proof strategies. This paper introduces the Multi-Perspective Search Prover (MPS-Prover), a novel stepwise ATP system designed to overcome these limitations. MPS-Prover incorporates two key innovations: a highly effective post-training data curation strategy that prunes approximately 40% of redundant training data without sacrificing performance, and a multi-perspective tree search mechanism. This search integrates a learned critic model with strategically designed heuristic rules to diversify tactic selection, prevent getting trapped in unproductive states, and enhance search robustness. Extensive evaluations demonstrate that MPS-Prover achieves state-of-the-art performance on multiple challenging benchmarks, including miniF2F and ProofNet, outperforming prior 7B parameter models. Furthermore, our analyses reveal that MPS-Prover generates significantly shorter and more diverse proofs compared to existing stepwise and whole-proof methods, highlighting its efficiency and efficacy. Our work advances the capabilities of LLM-based formal reasoning and offers a robust framework and a comprehensive analysis for developing more powerful theorem provers.

  • 7 authors
·
May 16, 2025 2

Enhancing Autonomous Driving Systems with On-Board Deployed Large Language Models

Neural Networks (NNs) trained through supervised learning struggle with managing edge-case scenarios common in real-world driving due to the intractability of exhaustive datasets covering all edge-cases, making knowledge-driven approaches, akin to how humans intuitively detect unexpected driving behavior, a suitable complement to data-driven methods. This work proposes a hybrid architecture combining low-level Model Predictive Controller (MPC) with locally deployed Large Language Models (LLMs) to enhance decision-making and Human Machine Interaction (HMI). The DecisionxLLM module evaluates robotic state information against natural language instructions to ensure adherence to desired driving behavior. The MPCxLLM module then adjusts MPC parameters based on LLM-generated insights, achieving control adaptability while preserving the safety and constraint guarantees of traditional MPC systems. Further, to enable efficient on-board deployment and to eliminate dependency on cloud connectivity, we shift processing to the on-board computing platform: We propose an approach that exploits Retrieval Augmented Generation (RAG), Low Rank Adaptation (LoRA) fine-tuning, and quantization. Experimental results demonstrate that these enhancements yield significant improvements in reasoning accuracy by up to 10.45%, control adaptability by as much as 52.2%, and up to 10.5x increase in computational efficiency (tokens/s), validating the proposed framework's practicality for real-time deployment even on down-scaled robotic platforms. This work bridges high-level decision-making with low-level control adaptability, offering a synergistic framework for knowledge-driven and adaptive Autonomous Driving Systems (ADS).

  • 7 authors
·
Apr 15, 2025

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

Risk Map As Middleware: Towards Interpretable Cooperative End-to-end Autonomous Driving for Risk-Aware Planning

End-to-end paradigm has emerged as a promising approach to autonomous driving. However, existing single-agent end-to-end pipelines are often constrained by occlusion and limited perception range, resulting in hazardous driving. Furthermore, their black-box nature prevents the interpretability of the driving behavior, leading to an untrustworthiness system. To address these limitations, we introduce Risk Map as Middleware (RiskMM) and propose an interpretable cooperative end-to-end driving framework. The risk map learns directly from the driving data and provides an interpretable spatiotemporal representation of the scenario from the upstream perception and the interactions between the ego vehicle and the surrounding environment for downstream planning. RiskMM first constructs a multi-agent spatiotemporal representation with unified Transformer-based architecture, then derives risk-aware representations by modeling interactions among surrounding environments with attention. These representations are subsequently fed into a learning-based Model Predictive Control (MPC) module. The MPC planner inherently accommodates physical constraints and different vehicle types and can provide interpretation by aligning learned parameters with explicit MPC elements. Evaluations conducted on the real-world V2XPnP-Seq dataset confirm that RiskMM achieves superior and robust performance in risk-aware trajectory planning, significantly enhancing the interpretability of the cooperative end-to-end driving framework. The codebase will be released to facilitate future research in this field.

  • 5 authors
·
Aug 11, 2025

CAST: A Cross-Asset State-Space Trading System for Drawdown Control in Stock Markets

Managing drawdown, the peak-to-trough decline in an investment portfolio's value, is a precondition for long-term survival in practical investment management. However, mainstream stock forecasting methods predominantly optimize returns or Sharpe ratios under the independent and identically distributed (i.i.d.) assumption. Real markets do not follow this assumption, triggering catastrophic drawdowns. We propose a cross-asset state-space trading system (CAST), consisting of two components: The predictor, Cross-Asset Collaborative Kalman Filter (CoKF), estimates each asset's latent state online, coupling all assets through their correlations and adaptively fusing multiple integrated-random-walk orders. The controller, Model Predictive Control (MPC), converts the predictor's forecast into trades, using forecast uncertainty as an explicit risk penalty that controls drawdown. We evaluate CAST on four real-world stock markets over a 15-year test window and show that it consistently occupies the return-drawdown Pareto frontier, achieving strong risk-adjusted performance while maintaining substantially lower maximum drawdown than competitive baselines. A stress test across crisis periods further demonstrates robust behavior under market shocks and distribution shift. Because the predictor and controller interact only through the predicted price path, both are plug-and-play, making CAST a modular, interpretable trading system. The code is available at https://github.com/FanBroWell/CAST

  • 3 authors
·
Sep 12

DPM-Solver++: Fast Solver for Guided Sampling of Diffusion Probabilistic Models

Diffusion probabilistic models (DPMs) have achieved impressive success in high-resolution image synthesis, especially in recent large-scale text-to-image generation applications. An essential technique for improving the sample quality of DPMs is guided sampling, which usually needs a large guidance scale to obtain the best sample quality. The commonly-used fast sampler for guided sampling is DDIM, a first-order diffusion ODE solver that generally needs 100 to 250 steps for high-quality samples. Although recent works propose dedicated high-order solvers and achieve a further speedup for sampling without guidance, their effectiveness for guided sampling has not been well-tested before. In this work, we demonstrate that previous high-order fast samplers suffer from instability issues, and they even become slower than DDIM when the guidance scale grows large. To further speed up guided sampling, we propose DPM-Solver++, a high-order solver for the guided sampling of DPMs. DPM-Solver++ solves the diffusion ODE with the data prediction model and adopts thresholding methods to keep the solution matches training data distribution. We further propose a multistep variant of DPM-Solver++ to address the instability issue by reducing the effective step size. Experiments show that DPM-Solver++ can generate high-quality samples within only 15 to 20 steps for guided sampling by pixel-space and latent-space DPMs.

  • 6 authors
·
Nov 2, 2022

PRISM: PRior-guided Imagination Sampling in world Models

A learned world model provides a powerful physical intuition for evaluating future states. But its effectiveness in continuous control also depends critically on how candidate actions are generated for model-based planning. Rather than solely asking how accurately a model can simulate the future, we ask: which candidate actions are worth evaluating in the first place? Existing planners typically search arbitrarily or use expert demonstrations only to initialize a sampling mean, discarding the expert's state-conditioned confidence. Properly guiding this search requires a robust action prior, yet current approaches often rely on independent visual encoders or large-scale VLMs to obtain one. We argue that this architectural bloat is unnecessary: the exact same data - and the learned representations of the world model itself - inherently encode the agent's action intuition. We introduce PRISM, a task-agnostic framework that extracts both from a single dataset while maintaining strict architectural simplicity. Building on a standard JEPA-style latent world model, PRISM attaches a lightweight MLP directly to its frozen encoder to predict a state-conditioned Gaussian prior. At plan time, PRISM fuses this prior into the planner's sampling distribution via a precision-weighted Product-of-Gaussians update. This parameter-free, closed-form integration steers the sampling process, making the prior confident where it is and ceding control where it is not. PRISM improves success rates by 35 percentage points over vanilla world-model-based MPC on Cube and 32 percentage points on PushT, without introducing significant inference overhead.

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

Intelligent4DSE: Optimizing High-Level Synthesis Design Space Exploration with Graph Neural Networks and Large Language Models

High-Level Synthesis (HLS) Design Space Exploration (DSE) is essential for generating hardware designs that balance performance, power, and area (PPA). To optimize this process, existing works often employs message-passing neural networks (MPNNs) to predict quality of results (QoR). These predictors serve as evaluators in the DSE process, effectively bypassing the time-consuming estimations traditionally required by HLS tools. However, existing models based on MPNNs struggle with over-smoothing and limited expressiveness. Additionally, while meta-heuristic algorithms are widely used in DSE, they typically require extensive domain-specific knowledge to design operators and time-consuming tuning. To address these limitations, we propose ECoGNNs-LLMMHs, a framework that integrates graph neural networks with task-adaptive message passing and large language model-enhanced meta-heuristic algorithms. Compared with state-of-the-art works, ECoGNN exhibits lower prediction error in the post-HLS prediction task, with the error reduced by 57.27\%. For post-implementation prediction tasks, ECoGNN demonstrates the lowest prediction errors, with average reductions of 17.6\% for flip-flop (FF) usage, 33.7\% for critical path (CP) delay, 26.3\% for power consumption, 38.3\% for digital signal processor (DSP) utilization, and 40.8\% for BRAM usage. LLMMH variants can generate superior Pareto fronts compared to meta-heuristic algorithms in terms of average distance from the reference set (ADRS) with average improvements of 87.47\%, respectively. Compared with the SOTA DSE approaches GNN-DSE and IRONMAN-PRO, LLMMH can reduce the ADRS by 68.17\% and 63.07\% respectively.

  • 4 authors
·
Oct 14, 2025

MPM-LLM4DSE: Reaching the Pareto Frontier in HLS with Multimodal Learning and LLM-Driven Exploration

High-Level Synthesis (HLS) design space exploration (DSE) seeks Pareto-optimal designs within expansive pragma configuration spaces. To accelerate HLS DSE, graph neural networks (GNNs) are commonly employed as surrogates for HLS tools to predict quality of results (QoR) metrics, while multi-objective optimization algorithms expedite the exploration. However, GNN-based prediction methods may not fully capture the rich semantic features inherent in behavioral descriptions, and conventional multi-objective optimization algorithms often do not explicitly account for the domain-specific knowledge regarding how pragma directives influence QoR. To address these limitations, this paper proposes the MPM-LLM4DSE framework, which incorporates a multimodal prediction model (MPM) that simultaneously fuses features from behavioral descriptions and control and data flow graphs. Furthermore, the framework employs a large language model (LLM) as an optimizer, accompanied by a tailored prompt engineering methodology. This methodology incorporates pragma impact analysis on QoR to guide the LLM in generating high-quality configurations (LLM4DSE). Experimental results demonstrate that our multimodal predictive model significantly outperforms state-of-the-art work ProgSG by up to 10.25times. Furthermore, in DSE tasks, the proposed LLM4DSE achieves an average performance gain of 39.90\% over prior methods, validating the effectiveness of our prompting methodology. Code and models are available at https://github.com/wslcccc/MPM-LLM4DSE.

  • 3 authors
·
Jan 7

Require Process Control? LSTMc is all you need!

Over the past three decades, numerous controllers have been developed to regulate complex chemical processes, but they have certain limitations. Traditional PI/PID controllers often require customized tuning for various set-point scenarios. On the other hand, MPC frameworks involve resource-intensive steps, and the utilization of black-box machine learning (ML) models can lead to issues such as local minima and infeasibility. Thus, there is a need for an alternative controller paradigm that combines the simplicity of a PI controller with the grade-to-grade (G2G) transferability of an MPC approach. To this end, we developed a novel LSTM controller (LSTMc) as a model-free data-driven controller framework. The LSTMc considers an augmented input tensor that incorporates information on state evolution and error dynamics for the current and previous W time steps, to predict the manipulated input at the next step (u_{t+1}). To demonstrate LSTMc, batch crystallization of dextrose was taken as a representative case study. The desired output for set-point tracking was the mean crystal size (L), with the manipulated input being the jacket temperature (T_j). Extensive training data, encompassing 7000+ different operating conditions, was compiled to ensure comprehensive training of LSTMc across a wide state space region. For comparison, we also designed a PI controller and an LSTM-MPC for different set-point tracking cases. The results consistently showed that LSTMc achieved the lowest set-point deviation (<2\%), three times lower than the MPC. Remarkably, LSTMc maintained this superior performance across all set points, even when sensor measurements contained noise levels of 10\% to 15\%. In summary, by effectively leveraging process data and utilizing sequential ML models, LSTMc offers a superior controller design approach.

  • 2 authors
·
Jun 12, 2023

MPIrigen: MPI Code Generation through Domain-Specific Language Models

The imperative need to scale computation across numerous nodes highlights the significance of efficient parallel computing, particularly in the realm of Message Passing Interface (MPI) integration. The challenging parallel programming task of generating MPI-based parallel programs has remained unexplored. This study first investigates the performance of state-of-the-art language models in generating MPI-based parallel programs. Findings reveal that widely used models such as GPT-3.5 and PolyCoder (specialized multi-lingual code models) exhibit notable performance degradation, when generating MPI-based programs compared to general-purpose programs. In contrast, domain-specific models such as MonoCoder, which are pretrained on MPI-related programming languages of C and C++, outperform larger models. Subsequently, we introduce a dedicated downstream task of MPI-based program generation by fine-tuning MonoCoder on HPCorpusMPI. We call the resulting model as MPIrigen. We propose an innovative preprocessing for completion only after observing the whole code, thus enabling better completion with a wider context. Comparative analysis against GPT-3.5 zero-shot performance, using a novel HPC-oriented evaluation method, demonstrates that MPIrigen excels in generating accurate MPI functions up to 0.8 accuracy in location and function predictions, and with more than 0.9 accuracy for argument predictions. The success of this tailored solution underscores the importance of domain-specific fine-tuning in optimizing language models for parallel computing code generation, paving the way for a new generation of automatic parallelization tools. The sources of this work are available at our GitHub MPIrigen repository: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rigen

  • 13 authors
·
Feb 14, 2024 1

Data-driven Kernel-based Predictive Control with Stability and Robustness Guarantees

In this paper, we provide a theoretical analysis of the closed-loop properties of a data-driven kernel-based predictive control (DDKPC) scheme developed solely from input-output data. The proposed formulation integrates a robust data-driven predictive control framework with a multi-step predictor for nonlinear systems constructed via kernel-based methods. This predictor implicitly captures the system's nonlinear behavior using the representer theorem. For the nominal case with noise-free data, we prove that the DDKPC scheme guarantees recursive feasibility and closed-loop stability, provided that the prediction horizon is sufficiently long and the kernel representation error is sufficiently small. To facilitate real-time implementation, we introduce a penalty relaxation formulation to alleviate the computational burden inherently caused by nonconvex implicit constraints. Furthermore, the framework is robustified against measurement noise by aggregating the representation mismatch and the bounded noise into a unified uncertainty bound. Finally, we extend the DDKPC framework to slowly time-varying nonlinear systems by periodically reconstructing the kernel predictor from a fixed-budget online dictionary managed by the approximate linear dependency (ALD) criterion. Under suitable conditions on the rate of variation of the input-output evolution and the online prediction error, recursive feasibility and practical closed-loop stability are preserved. The effectiveness of the proposed approach is illustrated through numerical examples.

  • 4 authors
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Jul 2

COPlanner: Plan to Roll Out Conservatively but to Explore Optimistically for Model-Based RL

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose COPlanner, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. COPlanner leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, COPlanner can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. COPlanner is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with COPlanner.

  • 7 authors
·
Oct 11, 2023

Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

  • 9 authors
·
Mar 4, 2025 2

LogicSolver: Towards Interpretable Math Word Problem Solving with Logical Prompt-enhanced Learning

Recently, deep learning models have made great progress in MWP solving on answer accuracy. However, they are uninterpretable since they mainly rely on shallow heuristics to achieve high performance without understanding and reasoning the grounded math logic. To address this issue and make a step towards interpretable MWP solving, we first construct a high-quality MWP dataset named InterMWP which consists of 11,495 MWPs and annotates interpretable logical formulas based on algebraic knowledge as the grounded linguistic logic of each solution equation. Different from existing MWP datasets, our InterMWP benchmark asks for a solver to not only output the solution expressions but also predict the corresponding logical formulas. We further propose a novel approach with logical prompt and interpretation generation, called LogicSolver. For each MWP, our LogicSolver first retrieves some highly-correlated algebraic knowledge and then passes them to the backbone model as prompts to improve the semantic representations of MWPs. With these improved semantic representations, our LogicSolver generates corresponding solution expressions and interpretable knowledge formulas in accord with the generated solution expressions, simultaneously. Experimental results show that our LogicSolver has stronger logical formula-based interpretability than baselines while achieving higher answer accuracy with the help of logical prompts, simultaneously. The source code and dataset is available at https://github.com/yangzhch6/InterMWP.

  • 5 authors
·
May 17, 2022

Denoising MCMC for Accelerating Diffusion-Based Generative Models

Diffusion models are powerful generative models that simulate the reverse of diffusion processes using score functions to synthesize data from noise. The sampling process of diffusion models can be interpreted as solving the reverse stochastic differential equation (SDE) or the ordinary differential equation (ODE) of the diffusion process, which often requires up to thousands of discretization steps to generate a single image. This has sparked a great interest in developing efficient integration techniques for reverse-S/ODEs. Here, we propose an orthogonal approach to accelerating score-based sampling: Denoising MCMC (DMCMC). DMCMC first uses MCMC to produce samples in the product space of data and variance (or diffusion time). Then, a reverse-S/ODE integrator is used to denoise the MCMC samples. Since MCMC traverses close to the data manifold, the computation cost of producing a clean sample for DMCMC is much less than that of producing a clean sample from noise. To verify the proposed concept, we show that Denoising Langevin Gibbs (DLG), an instance of DMCMC, successfully accelerates all six reverse-S/ODE integrators considered in this work on the tasks of CIFAR10 and CelebA-HQ-256 image generation. Notably, combined with integrators of Karras et al. (2022) and pre-trained score models of Song et al. (2021b), DLG achieves SOTA results. In the limited number of score function evaluation (NFE) settings on CIFAR10, we have 3.86 FID with approx 10 NFE and 2.63 FID with approx 20 NFE. On CelebA-HQ-256, we have 6.99 FID with approx 160 NFE, which beats the current best record of Kim et al. (2022) among score-based models, 7.16 FID with 4000 NFE. Code: https://github.com/1202kbs/DMCMC

  • 2 authors
·
Sep 29, 2022

Small Language Models Fine-tuned to Coordinate Larger Language Models improve Complex Reasoning

Large Language Models (LLMs) prompted to generate chain-of-thought (CoT) exhibit impressive reasoning capabilities. Recent attempts at prompt decomposition toward solving complex, multi-step reasoning problems depend on the ability of the LLM to simultaneously decompose and solve the problem. A significant disadvantage is that foundational LLMs are typically not available for fine-tuning, making adaptation computationally prohibitive. We believe (and demonstrate) that problem decomposition and solution generation are distinct capabilites, better addressed in separate modules, than by one monolithic LLM. We introduce DaSLaM, which uses a decomposition generator to decompose complex problems into subproblems that require fewer reasoning steps. These subproblems are answered by a solver. We use a relatively small (13B parameters) LM as the decomposition generator, which we train using policy gradient optimization to interact with a solver LM (regarded as black-box) and guide it through subproblems, thereby rendering our method solver-agnostic. Evaluation on multiple different reasoning datasets reveal that with our method, a 175 billion parameter LM (text-davinci-003) can produce competitive or even better performance, compared to its orders-of-magnitude larger successor, GPT-4. Additionally, we show that DaSLaM is not limited by the solver's capabilities as a function of scale; e.g., solver LMs with diverse sizes give significant performance improvement with our solver-agnostic decomposition technique. Exhaustive ablation studies evince the superiority of our modular finetuning technique over exorbitantly large decomposer LLMs, based on prompting alone.

  • 5 authors
·
Oct 21, 2023

WALL-E 2.0: World Alignment by NeuroSymbolic Learning improves World Model-based LLM Agents

Can we build accurate world models out of large language models (LLMs)? How can world models benefit LLM agents? The gap between the prior knowledge of LLMs and the specified environment's dynamics usually bottlenecks LLMs' performance as world models. To bridge the gap, we propose a training-free "world alignment" that learns an environment's symbolic knowledge complementary to LLMs. The symbolic knowledge covers action rules, knowledge graphs, and scene graphs, which are extracted by LLMs from exploration trajectories and encoded into executable codes to regulate LLM agents' policies. We further propose an RL-free, model-based agent "WALL-E 2.0" through the model-predictive control (MPC) framework. Unlike classical MPC requiring costly optimization on the fly, we adopt an LLM agent as an efficient look-ahead optimizer of future steps' actions by interacting with the neurosymbolic world model. While the LLM agent's strong heuristics make it an efficient planner in MPC, the quality of its planned actions is also secured by the accurate predictions of the aligned world model. They together considerably improve learning efficiency in a new environment. On open-world challenges in Mars (Minecraft like) and ALFWorld (embodied indoor environments), WALL-E 2.0 significantly outperforms existing methods, e.g., surpassing baselines in Mars by 16.1%-51.6% of success rate and by at least 61.7% in score. In ALFWorld, it achieves a new record 98% success rate after only 4 iterations.

  • 7 authors
·
Apr 22, 2025 4

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

SOAP, Muon, and Beyond: Pushing LLM Pretraining Scales

Higher-order optimizers such as Muon and SOAP offer faster convergence than AdamW, but their computational cost and numerical stability challenges have limited adoption at scale. In this work, we adapt and enhance preconditioned gradient methods to overcome the practical challenges of large-scale LLM pretraining. We first identify instabilities in SOAP at large batch sizes and propose algorithmic modifications including per-step QR orthogonalization and improved preconditioning strategies that eliminate loss spikes and enable stable training in these regimes. We then present a unified empirical study of SOAP, Muon, and AdamW using update-RMS matching to ensure fair learning rate transfer across optimizers. As part of this analysis, we empirically evaluate the orthogonalization quality of Muon. Our experiments on multi-billion-parameter models trained on trillions of tokens reveal that SOAP and Muon consistently outperform AdamW at the scales we tested. Notably, at batch sizes of up to 100M tokens for next-token prediction, these optimizers maintain training stability and quality while AdamW degrades. To enable efficient training at large scale, we introduce a layer-wise distributed optimizer compatible with Megatron-LM. Our implementation balances memory and hides communication while avoiding approximations to the optimizer computations, thus retaining their convergence benefits. Additionally, we identify and build specific system-level improvements to further accelerate our layer-wise implementation. To support the research community, we release a codebase that contains emerging algorithms for optimization: https://github.com/NVIDIA-NeMo/Emerging-Optimizers

  • 14 authors
·
Jul 12

Residual-MPPI: Online Policy Customization for Continuous Control

Policies developed through Reinforcement Learning (RL) and Imitation Learning (IL) have shown great potential in continuous control tasks, but real-world applications often require adapting trained policies to unforeseen requirements. While fine-tuning can address such needs, it typically requires additional data and access to the original training metrics and parameters. In contrast, an online planning algorithm, if capable of meeting the additional requirements, can eliminate the necessity for extensive training phases and customize the policy without knowledge of the original training scheme or task. In this work, we propose a generic online planning algorithm for customizing continuous-control policies at the execution time, which we call Residual-MPPI. It can customize a given prior policy on new performance metrics in few-shot and even zero-shot online settings, given access to the prior action distribution alone. Through our experiments, we demonstrate that the proposed Residual-MPPI algorithm can accomplish the few-shot/zero-shot online policy customization task effectively, including customizing the champion-level racing agent, Gran Turismo Sophy (GT Sophy) 1.0, in the challenging car racing scenario, Gran Turismo Sport (GTS) environment. Code for MuJoCo experiments is included in the supplementary and will be open-sourced upon acceptance. Demo videos and code are available on our website: https://sites.google.com/view/residual-mppi.

  • 7 authors
·
Mar 13, 2025

NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures remains a labor-intensive and expertise-dependent process, particularly for complex or novel compounds. Although recent methods have been proposed for molecular structure elucidation, they often underperform in real-world applications due to inherent algorithmic limitations and limited high-quality data. Here, we present NMR-Solver, a practical and interpretable framework for the automated determination of small organic molecule structures from ^1H and ^{13}C NMR spectra. Our method introduces an automated framework for molecular structure elucidation, integrating large-scale spectral matching with physics-guided fragment-based optimization that exploits atomic-level structure-spectrum relationships in NMR. We evaluate NMR-Solver on simulated benchmarks, curated experimental data from the literature, and real-world experiments, demonstrating its strong generalization, robustness, and practical utility in challenging, real-life scenarios. NMR-Solver unifies computational NMR analysis, deep learning, and interpretable chemical reasoning into a coherent system. By incorporating the physical principles of NMR into molecular optimization, it enables scalable, automated, and chemically meaningful molecular identification, establishing a generalizable paradigm for solving inverse problems in molecular science.

  • 9 authors
·
Aug 30, 2025

Toward smart composites: small-scale, untethered prediction and control for soft sensor/actuator systems

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.

  • 7 authors
·
May 22, 2022

Parallel Diffusion Solver via Residual Dirichlet Policy Optimization

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face significant image quality degradation under a low-latency budget, primarily due to accumulated truncation errors arising from the inability to capture high-curvature trajectory segments. In this paper, we propose the Ensemble Parallel Direction solver (dubbed as EPD-Solver), a novel ODE solver that mitigates these errors by incorporating multiple parallel gradient evaluations in each step. Motivated by the geometric insight that sampling trajectories are largely confined to a low-dimensional manifold, EPD-Solver leverages the Mean Value Theorem for vector-valued functions to approximate the integral solution more accurately. Importantly, since the additional gradient computations are independent, they can be fully parallelized, preserving low-latency sampling nature. We introduce a two-stage optimization framework. Initially, EPD-Solver optimizes a small set of learnable parameters via a distillation-based approach. We further propose a parameter-efficient Reinforcement Learning (RL) fine-tuning scheme that reformulates the solver as a stochastic Dirichlet policy. Unlike traditional methods that fine-tune the massive backbone, our RL approach operates strictly within the low-dimensional solver space, effectively mitigating reward hacking while enhancing performance in complex text-to-image (T2I) generation tasks. In addition, our method is flexible and can serve as a plugin (EPD-Plugin) to improve existing ODE samplers.

  • 8 authors
·
Mar 4

Hybrid Systems Neural Control with Region-of-Attraction Planner

Hybrid systems are prevalent in robotics. However, ensuring the stability of hybrid systems is challenging due to sophisticated continuous and discrete dynamics. A system with all its system modes stable can still be unstable. Hence special treatments are required at mode switchings to stabilize the system. In this work, we propose a hierarchical, neural network (NN)-based method to control general hybrid systems. For each system mode, we first learn an NN Lyapunov function and an NN controller to ensure the states within the region of attraction (RoA) can be stabilized. Then an RoA NN estimator is learned across different modes. Upon mode switching, we propose a differentiable planner to ensure the states after switching can land in next mode's RoA, hence stabilizing the hybrid system. We provide novel theoretical stability guarantees and conduct experiments in car tracking control, pogobot navigation, and bipedal walker locomotion. Our method only requires 0.25X of the training time as needed by other learning-based methods. With low running time (10-50X faster than model predictive control (MPC)), our controller achieves a higher stability/success rate over other baselines such as MPC, reinforcement learning (RL), common Lyapunov methods (CLF), linear quadratic regulator (LQR), quadratic programming (QP) and Hamilton-Jacobian-based methods (HJB). The project page is on https://mit-realm.github.io/hybrid-clf.

  • 2 authors
·
Mar 18, 2023

Improved Order Analysis and Design of Exponential Integrator for Diffusion Models Sampling

Efficient differential equation solvers have significantly reduced the sampling time of diffusion models (DMs) while retaining high sampling quality. Among these solvers, exponential integrators (EI) have gained prominence by demonstrating state-of-the-art performance. However, existing high-order EI-based sampling algorithms rely on degenerate EI solvers, resulting in inferior error bounds and reduced accuracy in contrast to the theoretically anticipated results under optimal settings. This situation makes the sampling quality extremely vulnerable to seemingly innocuous design choices such as timestep schedules. For example, an inefficient timestep scheduler might necessitate twice the number of steps to achieve a quality comparable to that obtained through carefully optimized timesteps. To address this issue, we reevaluate the design of high-order differential solvers for DMs. Through a thorough order analysis, we reveal that the degeneration of existing high-order EI solvers can be attributed to the absence of essential order conditions. By reformulating the differential equations in DMs and capitalizing on the theory of exponential integrators, we propose refined EI solvers that fulfill all the order conditions, which we designate as Refined Exponential Solver (RES). Utilizing these improved solvers, RES exhibits more favorable error bounds theoretically and achieves superior sampling efficiency and stability in practical applications. For instance, a simple switch from the single-step DPM-Solver++ to our order-satisfied RES solver when Number of Function Evaluations (NFE) =9, results in a reduction of numerical defects by 25.2% and FID improvement of 25.4% (16.77 vs 12.51) on a pre-trained ImageNet diffusion model.

  • 3 authors
·
Aug 3, 2023

NPSolver: Neural Poisson Solver with Iterative Physics Supervision

Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural operators offer a fast alternative, they typically rely on large-scale labeled datasets or struggle with unstable training dynamics when using physics-informed residual losses. We propose NPSolver, a neural Poisson solver trained without solution labels via iterative physics supervision. Instead of relying on fully converged numerical solutions or raw PDE residuals, NPSolver utilizes a small number of preconditioned conjugate gradient (PCG) steps to refine its own predictions, providing a more stable and well-scaled training signal. Theoretical analysis confirms that this iterative supervision serves as a well-conditioned error proxy and that a stop-gradient design is essential for optimization stability. To better capture boundary-driven features under mixed boundary conditions, we further introduce the Boundary-Aware Transolver (BA-Transolver) architecture that explicitly separates interior and boundary tokenization. Extensive evaluations on 2D and 3D irregular geometries demonstrate that NPSolver outperforms both physics-informed and data-driven baselines. Furthermore, a downstream thermal control task highlights the model's capability for conducting efficient and reliable gradient-based boundary control. We will release our codes and data at https://github.com/intell-sci-comput/NPSolver.

  • 8 authors
·
May 24

Model-Based Control with Sparse Neural Dynamics

Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.

  • 7 authors
·
Dec 20, 2023

RMNP: Row-Momentum Normalized Preconditioning for Scalable Matrix-Based Optimization

Preconditioned adaptive methods have gained significant attention for training deep neural networks, as they capture rich curvature information of the loss landscape. The central challenge in this field lies in balancing preconditioning effectiveness with computational efficiency of implementing the preconditioner. Among recent advances, Muon stands out by using Newton-Schulz iteration to obtain preconditioned updates without explicitly constructing the preconditioning matrix. Despite its advantages, the efficiency of Muon still leaves room for further improvement. In this paper, we introduce RMNP (Row Momentum Normalized Preconditioning), an optimizer that replaces Newton-Schulz iteration with a simple row-wise (d_{in}) ell_2 normalization operation, motivated by the empirically observed diagonal block structure of the Transformer layerwise Hessian. We empirically verified that orthogonalization and row-wise (on input dim) ell_2 normalization are asymptotically equivalent in the case of the transformer. This substitution reduces the per-iteration computational complexity from {O}(mncdotmin(m,n)) to {O}(mn) for an mtimes n weight matrix while maintaining comparable optimization performance. Theoretically, we establish convergence guarantees for RMNP in the non-convex setting that match recent results for Muon optimizers, achieving the minimax optimal complexity. Extensive experiments on large language model pretraining show that RMNP delivers competitive optimization performance compared with Muon while substantially reducing preconditioning wall-clock time. Our code is available at https://github.com/Dominator-Index/RMNP.

  • 7 authors
·
May 12

Physicochemical-Neural Fusion for Semi-Closed-Circuit Respiratory Autonomy in Extreme Environments

This paper introduces Galactic Bioware's Life Support System, a semi-closed-circuit breathing apparatus designed for integration into a positive-pressure firefighting suit and governed by an AI control system. The breathing loop incorporates a soda lime CO2 scrubber, a silica gel dehumidifier, and pure O2 replenishment with finite consumables. One-way exhaust valves maintain positive pressure while creating a semi-closed system in which outward venting gradually depletes the gas inventory. Part I develops the physicochemical foundations from first principles, including state-consistent thermochemistry, stoichiometric capacity limits, adsorption isotherms, and oxygen-management constraints arising from both fire safety and toxicity. Part II introduces an AI control architecture that fuses three sensor tiers, external environmental sensing, internal suit atmosphere sensing (with triple-redundant O2 cells and median voting), and firefighter biometrics. The controller combines receding-horizon model-predictive control (MPC) with a learned metabolic model and a reinforcement learning (RL) policy advisor, with all candidate actuator commands passing through a final control-barrier-function safety filter before reaching the hardware. This architecture is intended to optimize performance under unknown mission duration and exertion profiles. In this paper we introduce an 18-state, 3-control nonlinear state-space formulation using only sensors viable in structural firefighting, with triple-redundant O2 sensing and median voting. Finally, we introduce an MPC framework with a dynamic resource scarcity multiplier, an RL policy advisor for warm-starting, and a final control-barrier-function safety filter through which all actuator commands must pass, demonstrating 18-34% endurance improvement in simulation over PID baselines while maintaining tighter physiological and fire-safety margins.

  • 2 authors
·
Mar 15

A Dataset for Modeling Iterative Problem-Solving

Solving problems through repeated attempts is a sequential modeling task: at each step, the solver receives feedback and decides how to revise their solutions. Predicting whether performance improves, plateaus, or regresses across attempts is central to understanding any iterative problem-solving process in both human learners and autonomous agents. Beyond outcomes, modeling what errors persist and how strategies shift across attempts provides deeper insight into the mechanics of sequential learning. Studying these dynamics requires observing many solvers as they attempt, receive feedback, and revise. Programming courses with automated grading provide this setting, as students iteratively submit code to test suites and receive feedback on every attempt. We therefore curate CodeInsight, a large-scale dataset of over 3 million submissions from 3,286 undergraduates across 2 introductory C++ courses in 2 academic years, with test-case-level outcomes, timestamps, and source code. On this dataset, we build a benchmark that evaluates models spanning parametric, sequential, and generative traditions under a shared calibration-and-scoring protocol, including a Recurrent State Space Model (RSSM) adapted to track solver characteristics through discrete latent variables and an LLM-based predictor that generates explicit solutions. The adapted RSSM achieves the strongest predictive accuracy on three of the four courses. The LLM predictor is less accurate but produces full submissions at each attempt, enabling direct analysis of failure modes. We find that the model's coding proficiency is inversely related to predictive performance in this setting, with the LLM better understood as a generative solver conditioned on context rather than a faithful predictor of solver behavior. We publicly release our code and the dataset on request to facilitate future research.

  • 7 authors
·
Aug 31

Horizon-Free and Variance-Dependent Reinforcement Learning for Latent Markov Decision Processes

We study regret minimization for reinforcement learning (RL) in Latent Markov Decision Processes (LMDPs) with context in hindsight. We design a novel model-based algorithmic framework which can be instantiated with both a model-optimistic and a value-optimistic solver. We prove an O(mathsf{Var^star M Gamma S A K}) regret bound where O hides logarithm factors, M is the number of contexts, S is the number of states, A is the number of actions, K is the number of episodes, Gamma le S is the maximum transition degree of any state-action pair, and Var^star is a variance quantity describing the determinism of the LMDP. The regret bound only scales logarithmically with the planning horizon, thus yielding the first (nearly) horizon-free regret bound for LMDP. This is also the first problem-dependent regret bound for LMDP. Key in our proof is an analysis of the total variance of alpha vectors (a generalization of value functions), which is handled with a truncation method. We complement our positive result with a novel Omega(mathsf{Var^star M S A K}) regret lower bound with Gamma = 2, which shows our upper bound minimax optimal when Gamma is a constant for the class of variance-bounded LMDPs. Our lower bound relies on new constructions of hard instances and an argument inspired by the symmetrization technique from theoretical computer science, both of which are technically different from existing lower bound proof for MDPs, and thus can be of independent interest.

  • 3 authors
·
Oct 20, 2022

Discrete Optimization of Min-Max Violation and its Applications Across Computational Sciences

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

  • 4 authors
·
Aug 18, 2025

Spark-Prover-X1: Formal Theorem Proving Through Diverse Data Training

Large Language Models (LLMs) have shown significant promise in automated theorem proving, yet progress is often constrained by the scarcity of diverse and high-quality formal language data. To address this issue, we introduce Spark-Prover-X1, a 7B parameter model trained via an three-stage framework designed to unlock the reasoning potential of more accessible and moderately-sized LLMs. The first stage infuses deep knowledge through continuous pre-training on a broad mathematical corpus, enhanced by a suite of novel data tasks. Key innovation is a "CoT-augmented state prediction" task to achieve fine-grained reasoning. The second stage employs Supervised Fine-tuning (SFT) within an expert iteration loop to specialize both the Spark-Prover-X1-7B and Spark-Formalizer-X1-7B models. Finally, a targeted round of Group Relative Policy Optimization (GRPO) is applied to sharpen the prover's capabilities on the most challenging problems. To facilitate robust evaluation, particularly on problems from real-world examinations, we also introduce ExamFormal-Bench, a new benchmark dataset of 402 formal problems. Experimental results demonstrate that Spark-Prover achieves state-of-the-art performance among similarly-sized open-source models within the "Whole-Proof Generation" paradigm. It shows exceptional performance on difficult competition benchmarks, notably solving 27 problems on PutnamBench (pass@32) and achieving 24.0\% on CombiBench (pass@32). Our work validates that this diverse training data and progressively refined training pipeline provides an effective path for enhancing the formal reasoning capabilities of lightweight LLMs. We will release both Spark-Prover-X1-7B and Spark-Formalizer-X1-7B, along with the ExamFormal-Bench dataset, in the near future.

  • 10 authors
·
Nov 17, 2025

ECO: Energy-Constrained Optimization with Reinforcement Learning for Humanoid Walking

Achieving stable and energy-efficient locomotion is essential for humanoid robots to operate continuously in real-world applications. Existing MPC and RL approaches often rely on energy-related metrics embedded within a multi-objective optimization framework, which require extensive hyperparameter tuning and often result in suboptimal policies. To address these challenges, we propose ECO (Energy-Constrained Optimization), a constrained RL framework that separates energy-related metrics from rewards, reformulating them as explicit inequality constraints. This method provides a clear and interpretable physical representation of energy costs, enabling more efficient and intuitive hyperparameter tuning for improved energy efficiency. ECO introduces dedicated constraints for energy consumption and reference motion, enforced by the Lagrangian method, to achieve stable, symmetric, and energy-efficient walking for humanoid robots. We evaluated ECO against MPC, standard RL with reward shaping, and four state-of-the-art constrained RL methods. Experiments, including sim-to-sim and sim-to-real transfers on the kid-sized humanoid robot BRUCE, demonstrate that ECO significantly reduces energy consumption compared to baselines while maintaining robust walking performance. These results highlight a substantial advancement in energy-efficient humanoid locomotion. All experimental demonstrations can be found on the project website: https://sites.google.com/view/eco-humanoid.

  • 9 authors
·
Feb 6 2

MP1: MeanFlow Tames Policy Learning in 1-step for Robotic Manipulation

In robot manipulation, robot learning has become a prevailing approach. However, generative models within this field face a fundamental trade-off between the slow, iterative sampling of diffusion models and the architectural constraints of faster Flow-based methods, which often rely on explicit consistency losses. To address these limitations, we introduce MP1, which pairs 3D point-cloud inputs with the MeanFlow paradigm to generate action trajectories in one network function evaluation (1-NFE). By directly learning the interval-averaged velocity via the "MeanFlow Identity", our policy avoids any additional consistency constraints. This formulation eliminates numerical ODE-solver errors during inference, yielding more precise trajectories. MP1 further incorporates CFG for improved trajectory controllability while retaining 1-NFE inference without reintroducing structural constraints. Because subtle scene-context variations are critical for robot learning, especially in few-shot learning, we introduce a lightweight Dispersive Loss that repels state embeddings during training, boosting generalization without slowing inference. We validate our method on the Adroit and Meta-World benchmarks, as well as in real-world scenarios. Experimental results show MP1 achieves superior average task success rates, outperforming DP3 by 10.2% and FlowPolicy by 7.3%. Its average inference time is only 6.8 ms-19x faster than DP3 and nearly 2x faster than FlowPolicy. Our code is available at https://github.com/LogSSim/MP1.git.

  • 4 authors
·
Jul 14, 2025

How to build a consistency model: Learning flow maps via self-distillation

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

  • 3 authors
·
May 24, 2025

PDE-Agents: An LLM-Orchestrated Multi-Agent Framework for Automated Finite Element Simulations with Knowledge Graph-Augmented Reasoning

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

  • 3 authors
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Jun 4

MM-Agent: LLM as Agents for Real-world Mathematical Modeling Problem

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

  • 6 authors
·
May 20, 2025