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Sep 9

VisPath: Automated Visualization Code Synthesis via Multi-Path Reasoning and Feedback-Driven Optimization

Unprecedented breakthroughs in Large Language Models (LLMs) has amplified its penetration into application of automated visualization code generation. Few-shot prompting and query expansion techniques have notably enhanced data visualization performance, however, still fail to overcome ambiguity and complexity of natural language queries - imposing an inherent burden for manual human intervention. To mitigate such limitations, we propose a holistic framework VisPath : A Multi-Path Reasoning and Feedback-Driven Optimization Framework for Visualization Code Generation, which systematically enhances code quality through structured reasoning and refinement. VisPath is a multi-stage framework, specially designed to handle underspecified queries. To generate a robust final visualization code, it first utilizes initial query to generate diverse reformulated queries via Chain-of-Thought (CoT) prompting, each representing a distinct reasoning path. Refined queries are used to produce candidate visualization scripts, consequently executed to generate multiple images. Comprehensively assessing correctness and quality of outputs, VisPath generates feedback for each image, which are then fed to aggregation module to generate optimal result. Extensive experiments on benchmarks including MatPlotBench and the Qwen-Agent Code Interpreter Benchmark show that VisPath significantly outperforms state-of-the-art (SOTA) methods, increased up to average 17%, offering a more reliable solution for AI-driven visualization code generation.

Quality Diversity through Human Feedback: Towards Open-Ended Diversity-Driven Optimization

Reinforcement Learning from Human Feedback (RLHF) has shown potential in qualitative tasks where easily defined performance measures are lacking. However, there are drawbacks when RLHF is commonly used to optimize for average human preferences, especially in generative tasks that demand diverse model responses. Meanwhile, Quality Diversity (QD) algorithms excel at identifying diverse and high-quality solutions but often rely on manually crafted diversity metrics. This paper introduces Quality Diversity through Human Feedback (QDHF), a novel approach that progressively infers diversity metrics from human judgments of similarity among solutions, thereby enhancing the applicability and effectiveness of QD algorithms in complex and open-ended domains. Empirical studies show that QDHF significantly outperforms state-of-the-art methods in automatic diversity discovery and matches the efficacy of QD with manually crafted diversity metrics on standard benchmarks in robotics and reinforcement learning. Notably, in open-ended generative tasks, QDHF substantially enhances the diversity of text-to-image generation from a diffusion model and is more favorably received in user studies. We conclude by analyzing QDHF's scalability, robustness, and quality of derived diversity metrics, emphasizing its strength in open-ended optimization tasks. Code and tutorials are available at https://liding.info/qdhf.

Automatic Prompt Optimization Techniques: Exploring the Potential for Synthetic Data Generation

Artificial Intelligence (AI) advancement is heavily dependent on access to large-scale, high-quality training data. However, in specialized domains such as healthcare, data acquisition faces significant constraints due to privacy regulations, ethical considerations, and limited availability. While synthetic data generation offers a promising solution, conventional approaches typically require substantial real data for training generative models. The emergence of large-scale prompt-based models presents new opportunities for synthetic data generation without direct access to protected data. However, crafting effective prompts for domain-specific data generation remains challenging, and manual prompt engineering proves insufficient for achieving output with sufficient precision and authenticity. We review recent developments in automatic prompt optimization, following PRISMA guidelines. We analyze six peer-reviewed studies published between 2020 and 2024 that focus on automatic data-free prompt optimization methods. Our analysis reveals three approaches: feedback-driven, error-based, and control-theoretic. Although all approaches demonstrate promising capabilities in prompt refinement and adaptation, our findings suggest the need for an integrated framework that combines complementary optimization techniques to enhance synthetic data generation while minimizing manual intervention. We propose future research directions toward developing robust, iterative prompt optimization frameworks capable of improving the quality of synthetic data. This advancement can be particularly crucial for sensitive fields and in specialized domains where data access is restricted, potentially transforming how we approach synthetic data generation for AI development.

PRompt Optimization in Multi-Step Tasks (PROMST): Integrating Human Feedback and Heuristic-based Sampling

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

Trace is the New AutoDiff -- Unlocking Efficient Optimization of Computational Workflows

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Zeroth-Order Optimization Meets Human Feedback: Provable Learning via Ranking Oracles

In this study, we delve into an emerging optimization challenge involving a black-box objective function that can only be gauged via a ranking oracle-a situation frequently encountered in real-world scenarios, especially when the function is evaluated by human judges. Such challenge is inspired from Reinforcement Learning with Human Feedback (RLHF), an approach recently employed to enhance the performance of Large Language Models (LLMs) using human guidance. We introduce ZO-RankSGD, an innovative zeroth-order optimization algorithm designed to tackle this optimization problem, accompanied by theoretical assurances. Our algorithm utilizes a novel rank-based random estimator to determine the descent direction and guarantees convergence to a stationary point. Moreover, ZO-RankSGD is readily applicable to policy optimization problems in Reinforcement Learning (RL), particularly when only ranking oracles for the episode reward are available. Last but not least, we demonstrate the effectiveness of ZO-RankSGD in a novel application: improving the quality of images generated by a diffusion generative model with human ranking feedback. Throughout experiments, we found that ZO-RankSGD can significantly enhance the detail of generated images with only a few rounds of human feedback. Overall, our work advances the field of zeroth-order optimization by addressing the problem of optimizing functions with only ranking feedback, and offers a new and effective approach for aligning Artificial Intelligence (AI) with human intentions.

Understanding the Role of Feedback in Online Learning with Switching Costs

In this paper, we study the role of feedback in online learning with switching costs. It has been shown that the minimax regret is Theta(T^{2/3}) under bandit feedback and improves to Theta(T) under full-information feedback, where T is the length of the time horizon. However, it remains largely unknown how the amount and type of feedback generally impact regret. To this end, we first consider the setting of bandit learning with extra observations; that is, in addition to the typical bandit feedback, the learner can freely make a total of B_{ex} extra observations. We fully characterize the minimax regret in this setting, which exhibits an interesting phase-transition phenomenon: when B_{ex} = O(T^{2/3}), the regret remains Theta(T^{2/3}), but when B_{ex} = Omega(T^{2/3}), it becomes Theta(T/B_{mathrm{ex}}), which improves as the budget B_{ex} increases. To design algorithms that can achieve the minimax regret, it is instructive to consider a more general setting where the learner has a budget of B total observations. We fully characterize the minimax regret in this setting as well and show that it is Theta(T/B), which scales smoothly with the total budget B. Furthermore, we propose a generic algorithmic framework, which enables us to design different learning algorithms that can achieve matching upper bounds for both settings based on the amount and type of feedback. One interesting finding is that while bandit feedback can still guarantee optimal regret when the budget is relatively limited, it no longer suffices to achieve optimal regret when the budget is relatively large.

A Survey on the Optimization of Large Language Model-based Agents

With the rapid development of Large Language Models (LLMs), LLM-based agents have been widely adopted in various fields, becoming essential for autonomous decision-making and interactive tasks. However, current work typically relies on prompt design or fine-tuning strategies applied to vanilla LLMs, which often leads to limited effectiveness or suboptimal performance in complex agent-related environments. Although LLM optimization techniques can improve model performance across many general tasks, they lack specialized optimization towards critical agent functionalities such as long-term planning, dynamic environmental interaction, and complex decision-making. Although numerous recent studies have explored various strategies to optimize LLM-based agents for complex agent tasks, a systematic review summarizing and comparing these methods from a holistic perspective is still lacking. In this survey, we provide a comprehensive review of LLM-based agent optimization approaches, categorizing them into parameter-driven and parameter-free methods. We first focus on parameter-driven optimization, covering fine-tuning-based optimization, reinforcement learning-based optimization, and hybrid strategies, analyzing key aspects such as trajectory data construction, fine-tuning techniques, reward function design, and optimization algorithms. Additionally, we briefly discuss parameter-free strategies that optimize agent behavior through prompt engineering and external knowledge retrieval. Finally, we summarize the datasets and benchmarks used for evaluation and tuning, review key applications of LLM-based agents, and discuss major challenges and promising future directions. Our repository for related references is available at https://github.com/YoungDubbyDu/LLM-Agent-Optimization.

Bridging Supervised Learning and Reinforcement Learning in Math Reasoning

Reinforcement Learning (RL) has played a central role in the recent surge of LLMs' math abilities by enabling self-improvement through binary verifier signals. In contrast, Supervised Learning (SL) is rarely considered for such verification-driven training, largely due to its heavy reliance on reference answers and inability to reflect on mistakes. In this work, we challenge the prevailing notion that self-improvement is exclusive to RL and propose Negative-aware Fine-Tuning (NFT) -- a supervised approach that enables LLMs to reflect on their failures and improve autonomously with no external teachers. In online training, instead of throwing away self-generated negative answers, NFT constructs an implicit negative policy to model them. This implicit policy is parameterized with the same positive LLM we target to optimize on positive data, enabling direct policy optimization on all LLMs' generations. We conduct experiments on 7B and 32B models in math reasoning tasks. Results consistently show that through the additional leverage of negative feedback, NFT significantly improves over SL baselines like Rejection sampling Fine-Tuning, matching or even surpassing leading RL algorithms like GRPO and DAPO. Furthermore, we demonstrate that NFT and GRPO are actually equivalent in strict-on-policy training, even though they originate from entirely different theoretical foundations. Our experiments and theoretical findings bridge the gap between SL and RL methods in binary-feedback learning systems.

Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Reinforcement Learning from User Feedback

As large language models (LLMs) are increasingly deployed in diverse user facing applications, aligning them with real user preferences becomes essential. Existing methods like Reinforcement Learning from Human Feedback (RLHF) rely on expert annotators trained on manually defined guidelines, whose judgments may not reflect the priorities of everyday users. We introduce Reinforcement Learning from User Feedback (RLUF), a framework for aligning LLMs directly to implicit signals from users in production. RLUF addresses key challenges of user feedback: user feedback is often binary (e.g., emoji reactions), sparse, and occasionally adversarial. We train a reward model, P[Love], to predict the likelihood that an LLM response will receive a Love Reaction, a lightweight form of positive user feedback, and integrate P[Love] into a multi-objective policy optimization framework alongside helpfulness and safety objectives. In large-scale experiments, we show that P[Love] is predictive of increased positive feedback and serves as a reliable offline evaluator of future user behavior. Policy optimization using P[Love] significantly raises observed positive-feedback rates, including a 28% increase in Love Reactions during live A/B tests. However, optimizing for positive reactions introduces reward hacking challenges, requiring careful balancing of objectives. By directly leveraging implicit signals from users, RLUF offers a path to aligning LLMs with real-world user preferences at scale.

Direct Nash Optimization: Teaching Language Models to Self-Improve with General Preferences

This paper studies post-training large language models (LLMs) using preference feedback from a powerful oracle to help a model iteratively improve over itself. The typical approach for post-training LLMs involves Reinforcement Learning from Human Feedback (RLHF), which traditionally separates reward learning and subsequent policy optimization. However, such a reward maximization approach is limited by the nature of "point-wise" rewards (such as Bradley-Terry model), which fails to express complex intransitive or cyclic preference relations. While advances on RLHF show reward learning and policy optimization can be merged into a single contrastive objective for stability, they yet still remain tethered to the reward maximization framework. Recently, a new wave of research sidesteps the reward maximization presumptions in favor of directly optimizing over "pair-wise" or general preferences. In this paper, we introduce Direct Nash Optimization (DNO), a provable and scalable algorithm that marries the simplicity and stability of contrastive learning with theoretical generality from optimizing general preferences. Because DNO is a batched on-policy algorithm using a regression-based objective, its implementation is straightforward and efficient. Moreover, DNO enjoys monotonic improvement across iterations that help it improve even over a strong teacher (such as GPT-4). In our experiments, a resulting 7B parameter Orca-2.5 model aligned by DNO achieves the state-of-the-art win-rate against GPT-4-Turbo of 33% on AlpacaEval 2.0 (even after controlling for response length), an absolute gain of 26% (7% to 33%) over the initializing model. It outperforms models with far more parameters, including Mistral Large, Self-Rewarding LM (70B parameters), and older versions of GPT-4.

RLHS: Mitigating Misalignment in RLHF with Hindsight Simulation

Generative AI systems like foundation models (FMs) must align well with human values to ensure their behavior is helpful and trustworthy. While Reinforcement Learning from Human Feedback (RLHF) has shown promise for optimizing model performance using human judgments, existing RLHF pipelines predominantly rely on immediate feedback, which can fail to accurately reflect the downstream impact of an interaction on users' utility. We demonstrate that feedback based on evaluators' foresight estimates of downstream consequences systematically induces Goodhart's Law dynamics, incentivizing misaligned behaviors like sycophancy and deception and ultimately degrading user outcomes. To alleviate this, we propose decoupling evaluation from prediction by refocusing RLHF on hindsight feedback. Our theoretical analysis reveals that conditioning evaluator feedback on downstream observations mitigates misalignment and improves expected human utility, even when these observations are simulated by the AI system itself. To leverage this insight in a practical alignment algorithm, we introduce Reinforcement Learning from Hindsight Simulation (RLHS), which first simulates plausible consequences and then elicits feedback to assess what behaviors were genuinely beneficial in hindsight. We apply RLHS to two widely-employed online and offline preference optimization methods -- Proximal Policy Optimization (PPO) and Direct Preference Optimization (DPO) -- and show empirically that misalignment is significantly reduced with both methods. Through an online human user study, we show that RLHS consistently outperforms RLHF in helping users achieve their goals and earns higher satisfaction ratings, despite being trained solely with simulated hindsight feedback. These results underscore the importance of focusing on long-term consequences, even simulated ones, to mitigate misalignment in RLHF.

Automated Optimization Modeling through Expert-Guided Large Language Model Reasoning

Optimization Modeling (OM) is essential for solving complex decision-making problems. However, the process remains time-consuming and error-prone, heavily relying on domain experts. While Large Language Models (LLMs) show promise in addressing these challenges through their natural language understanding and reasoning capabilities, current approaches face three critical limitations: high benchmark labeling error rates reaching up to 42%, narrow evaluation scope that only considers optimal values, and computational inefficiency due to heavy reliance on multi-agent systems or model fine-tuning. In this work, we first enhance existing datasets through systematic error correction and more comprehensive annotation. Additionally, we introduce LogiOR, a new optimization modeling benchmark from the logistics domain, containing more complex problems with standardized annotations. Furthermore, we present ORThought, a novel framework that leverages expert-level optimization modeling principles through chain-of-thought reasoning to automate the OM process. Through extensive empirical evaluation, we demonstrate that ORThought outperforms existing approaches, including multi-agent frameworks, with particularly significant advantages on complex optimization problems. Finally, we provide a systematic analysis of our method, identifying critical success factors and failure modes, providing valuable insights for future research on LLM-based optimization modeling.

Making RL with Preference-based Feedback Efficient via Randomization

Reinforcement Learning algorithms that learn from human feedback (RLHF) need to be efficient in terms of statistical complexity, computational complexity, and query complexity. In this work, we consider the RLHF setting where the feedback is given in the format of preferences over pairs of trajectories. In the linear MDP model, using randomization in algorithm design, we present an algorithm that is sample efficient (i.e., has near-optimal worst-case regret bounds) and has polynomial running time (i.e., computational complexity is polynomial with respect to relevant parameters). Our algorithm further minimizes the query complexity through a novel randomized active learning procedure. In particular, our algorithm demonstrates a near-optimal tradeoff between the regret bound and the query complexity. To extend the results to more general nonlinear function approximation, we design a model-based randomized algorithm inspired by the idea of Thompson sampling. Our algorithm minimizes Bayesian regret bound and query complexity, again achieving a near-optimal tradeoff between these two quantities. Computation-wise, similar to the prior Thompson sampling algorithms under the regular RL setting, the main computation primitives of our algorithm are Bayesian supervised learning oracles which have been heavily investigated on the empirical side when applying Thompson sampling algorithms to RL benchmark problems.

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.

Optimizers Qualitatively Alter Solutions And We Should Leverage This

Due to the nonlinear nature of Deep Neural Networks (DNNs), one can not guarantee convergence to a unique global minimum of the loss when using optimizers relying only on local information, such as SGD. Indeed, this was a primary source of skepticism regarding the feasibility of DNNs in the early days of the field. The past decades of progress in deep learning have revealed this skepticism to be misplaced, and a large body of empirical evidence shows that sufficiently large DNNs following standard training protocols exhibit well-behaved optimization dynamics that converge to performant solutions. This success has biased the community to use convex optimization as a mental model for learning, leading to a focus on training efficiency, either in terms of required iteration, FLOPs or wall-clock time, when improving optimizers. We argue that, while this perspective has proven extremely fruitful, another perspective specific to DNNs has received considerably less attention: the optimizer not only influences the rate of convergence, but also the qualitative properties of the learned solutions. Restated, the optimizer can and will encode inductive biases and change the effective expressivity of a given class of models. Furthermore, we believe the optimizer can be an effective way of encoding desiderata in the learning process. We contend that the community should aim at understanding the biases of already existing methods, as well as aim to build new optimizers with the explicit intent of inducing certain properties of the solution, rather than solely judging them based on their convergence rates. We hope our arguments will inspire research to improve our understanding of how the learning process can impact the type of solution we converge to, and lead to a greater recognition of optimizers design as a critical lever that complements the roles of architecture and data in shaping model outcomes.

Behavior Alignment via Reward Function Optimization

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

Discovering General Reinforcement Learning Algorithms with Adversarial Environment Design

The past decade has seen vast progress in deep reinforcement learning (RL) on the back of algorithms manually designed by human researchers. Recently, it has been shown that it is possible to meta-learn update rules, with the hope of discovering algorithms that can perform well on a wide range of RL tasks. Despite impressive initial results from algorithms such as Learned Policy Gradient (LPG), there remains a generalization gap when these algorithms are applied to unseen environments. In this work, we examine how characteristics of the meta-training distribution impact the generalization performance of these algorithms. Motivated by this analysis and building on ideas from Unsupervised Environment Design (UED), we propose a novel approach for automatically generating curricula to maximize the regret of a meta-learned optimizer, in addition to a novel approximation of regret, which we name algorithmic regret (AR). The result is our method, General RL Optimizers Obtained Via Environment Design (GROOVE). In a series of experiments, we show that GROOVE achieves superior generalization to LPG, and evaluate AR against baseline metrics from UED, identifying it as a critical component of environment design in this setting. We believe this approach is a step towards the discovery of truly general RL algorithms, capable of solving a wide range of real-world environments.

Discovering Temporally-Aware Reinforcement Learning Algorithms

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

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.

Towards a Unified View of Large Language Model Post-Training

Two major sources of training data exist for post-training modern language models: online (model-generated rollouts) data, and offline (human or other-model demonstrations) data. These two types of data are typically used by approaches like Reinforcement Learning (RL) and Supervised Fine-Tuning (SFT), respectively. In this paper, we show that these approaches are not in contradiction, but are instances of a single optimization process. We derive a Unified Policy Gradient Estimator, and present the calculations of a wide spectrum of post-training approaches as the gradient of a common objective under different data distribution assumptions and various bias-variance tradeoffs. The gradient estimator is constructed with four interchangeable parts: stabilization mask, reference policy denominator, advantage estimate, and likelihood gradient. Motivated by our theoretical findings, we propose Hybrid Post-Training (HPT), an algorithm that dynamically selects different training signals. HPT is designed to yield both effective exploitation of demonstration and stable exploration without sacrificing learned reasoning patterns. We provide extensive experiments and ablation studies to verify the effectiveness of our unified theoretical framework and HPT. Across six mathematical reasoning benchmarks and two out-of-distribution suites, HPT consistently surpasses strong baselines across models of varying scales and families.

OptiBench Meets ReSocratic: Measure and Improve LLMs for Optimization Modeling

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

A Tutorial on Bayesian Optimization

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

Gradient is All You Need?

In this paper we provide a novel analytical perspective on the theoretical understanding of gradient-based learning algorithms by interpreting consensus-based optimization (CBO), a recently proposed multi-particle derivative-free optimization method, as a stochastic relaxation of gradient descent. Remarkably, we observe that through communication of the particles, CBO exhibits a stochastic gradient descent (SGD)-like behavior despite solely relying on evaluations of the objective function. The fundamental value of such link between CBO and SGD lies in the fact that CBO is provably globally convergent to global minimizers for ample classes of nonsmooth and nonconvex objective functions, hence, on the one side, offering a novel explanation for the success of stochastic relaxations of gradient descent. On the other side, contrary to the conventional wisdom for which zero-order methods ought to be inefficient or not to possess generalization abilities, our results unveil an intrinsic gradient descent nature of such heuristics. This viewpoint furthermore complements previous insights into the working principles of CBO, which describe the dynamics in the mean-field limit through a nonlinear nonlocal partial differential equation that allows to alleviate complexities of the nonconvex function landscape. Our proofs leverage a completely nonsmooth analysis, which combines a novel quantitative version of the Laplace principle (log-sum-exp trick) and the minimizing movement scheme (proximal iteration). In doing so, we furnish useful and precise insights that explain how stochastic perturbations of gradient descent overcome energy barriers and reach deep levels of nonconvex functions. Instructive numerical illustrations support the provided theoretical insights.

A Survey of Direct Preference Optimization

Large Language Models (LLMs) have demonstrated unprecedented generative capabilities, yet their alignment with human values remains critical for ensuring helpful and harmless deployments. While Reinforcement Learning from Human Feedback (RLHF) has emerged as a powerful paradigm for aligning LLMs with human preferences, its reliance on complex reward modeling introduces inherent trade-offs in computational efficiency and training stability. In this context, Direct Preference Optimization (DPO) has recently gained prominence as a streamlined alternative that directly optimizes LLMs using human preferences, thereby circumventing the need for explicit reward modeling. Owing to its theoretical elegance and computational efficiency, DPO has rapidly attracted substantial research efforts exploring its various implementations and applications. However, this field currently lacks systematic organization and comparative analysis. In this survey, we conduct a comprehensive overview of DPO and introduce a novel taxonomy, categorizing previous works into four key dimensions: data strategy, learning framework, constraint mechanism, and model property. We further present a rigorous empirical analysis of DPO variants across standardized benchmarks. Additionally, we discuss real-world applications, open challenges, and future directions for DPO. This work delivers both a conceptual framework for understanding DPO and practical guidance for practitioners, aiming to advance robust and generalizable alignment paradigms. All collected resources are available and will be continuously updated at https://github.com/liushunyu/awesome-direct-preference-optimization.

Reward Design for Reinforcement Learning Agents

Reward functions are central in reinforcement learning (RL), guiding agents towards optimal decision-making. The complexity of RL tasks requires meticulously designed reward functions that effectively drive learning while avoiding unintended consequences. Effective reward design aims to provide signals that accelerate the agent's convergence to optimal behavior. Crafting rewards that align with task objectives, foster desired behaviors, and prevent undesirable actions is inherently challenging. This thesis delves into the critical role of reward signals in RL, highlighting their impact on the agent's behavior and learning dynamics and addressing challenges such as delayed, ambiguous, or intricate rewards. In this thesis work, we tackle different aspects of reward shaping. First, we address the problem of designing informative and interpretable reward signals from a teacher's/expert's perspective (teacher-driven). Here, the expert, equipped with the optimal policy and the corresponding value function, designs reward signals that expedite the agent's convergence to optimal behavior. Second, we build on this teacher-driven approach by introducing a novel method for adaptive interpretable reward design. In this scenario, the expert tailors the rewards based on the learner's current policy, ensuring alignment and optimal progression. Third, we propose a meta-learning approach, enabling the agent to self-design its reward signals online without expert input (agent-driven). This self-driven method considers the agent's learning and exploration to establish a self-improving feedback loop.

Target-based Surrogates for Stochastic Optimization

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

Critique-GRPO: Advancing LLM Reasoning with Natural Language and Numerical Feedback

Recent advances in reinforcement learning (RL) with numerical feedback, such as scalar rewards, have significantly enhanced the complex reasoning capabilities of large language models (LLMs). Despite this success, we identify three key challenges encountered by RL with solely numerical feedback: performance plateaus, limited effectiveness of self-reflection, and persistent failures. We then demonstrate that RL-finetuned models, even after exhibiting performance plateaus, can generate correct refinements on persistently failed problems by leveraging natural language feedback in the form of critiques. Building on this insight, we propose Critique-GRPO, an online RL framework that integrates both natural language and numerical feedback for effective policy optimization. Critique-GRPO enables LLMs to learn from initial responses and critique-guided refinements simultaneously while maintaining exploration. Extensive experiments using Qwen2.5-7B-Base and Qwen3-8B-Base show that Critique-GRPO consistently outperforms supervised learning-based and RL-based fine-tuning approaches across eight challenging mathematical, STEM, and general reasoning tasks, improving average pass@1 scores by approximately 4.5% and 5%, respectively. Notably, Critique-GRPO surpasses a strong baseline that incorporates expert demonstrations within online RL. Further analysis reveals two critical insights about policy exploration: (1) higher entropy does not always guarantee efficient learning from exploration, and (2) longer responses do not necessarily lead to more effective exploration.

Iterative Nash Policy Optimization: Aligning LLMs with General Preferences via No-Regret Learning

Reinforcement Learning with Human Feedback (RLHF) has achieved great success in aligning large language models (LLMs) with human preferences. Prevalent RLHF approaches are reward-based, following the Bradley-Terry (BT) model assumption, which may not fully capture the complexity of human preferences. In this paper, we explore RLHF under a general preference framework and approach it from a game-theoretic perspective. Specifically, we formulate the problem as a two-player game and propose a novel algorithm, iterative Nash policy optimization (INPO). The key idea is to let the policy play against itself via no-regret learning, thereby approximating the Nash policy. Unlike previous methods, INPO bypasses the need for estimating the expected win rate for individual responses, which typically incurs high computational or annotation costs. Instead, we introduce a new loss objective that is directly minimized over a preference dataset. We provide theoretical analysis for our approach and demonstrate its effectiveness through experiments on various representative benchmarks. With an LLaMA-3-8B-based SFT model, INPO achieves a 41.5% length-controlled win rate on AlpacaEval 2.0 and a 38.3% win rate on Arena-Hard, showing substantial improvement over the state-of-the-art iterative algorithm [Dong et al., 2024] under the BT model assumption. Additionally, our ablation study highlights the benefits of incorporating KL regularization for response length control.

On Penalty Methods for Nonconvex Bilevel Optimization and First-Order Stochastic Approximation

In this work, we study first-order algorithms for solving Bilevel Optimization (BO) where the objective functions are smooth but possibly nonconvex in both levels and the variables are restricted to closed convex sets. As a first step, we study the landscape of BO through the lens of penalty methods, in which the upper- and lower-level objectives are combined in a weighted sum with penalty parameter sigma > 0. In particular, we establish a strong connection between the penalty function and the hyper-objective by explicitly characterizing the conditions under which the values and derivatives of the two must be O(sigma)-close. A by-product of our analysis is the explicit formula for the gradient of hyper-objective when the lower-level problem has multiple solutions under minimal conditions, which could be of independent interest. Next, viewing the penalty formulation as O(sigma)-approximation of the original BO, we propose first-order algorithms that find an epsilon-stationary solution by optimizing the penalty formulation with sigma = O(epsilon). When the perturbed lower-level problem uniformly satisfies the small-error proximal error-bound (EB) condition, we propose a first-order algorithm that converges to an epsilon-stationary point of the penalty function, using in total O(epsilon^{-3}) and O(epsilon^{-7}) accesses to first-order (stochastic) gradient oracles when the oracle is deterministic and oracles are noisy, respectively. Under an additional assumption on stochastic oracles, we show that the algorithm can be implemented in a fully {\it single-loop} manner, i.e., with O(1) samples per iteration, and achieves the improved oracle-complexity of O(epsilon^{-3}) and O(epsilon^{-5}), respectively.

Revisiting Design Choices in Offline Model-Based Reinforcement Learning

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

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.

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.

Pareto Domain Adaptation

Domain adaptation (DA) attempts to transfer the knowledge from a labeled source domain to an unlabeled target domain that follows different distribution from the source. To achieve this, DA methods include a source classification objective to extract the source knowledge and a domain alignment objective to diminish the domain shift, ensuring knowledge transfer. Typically, former DA methods adopt some weight hyper-parameters to linearly combine the training objectives to form an overall objective. However, the gradient directions of these objectives may conflict with each other due to domain shift. Under such circumstances, the linear optimization scheme might decrease the overall objective value at the expense of damaging one of the training objectives, leading to restricted solutions. In this paper, we rethink the optimization scheme for DA from a gradient-based perspective. We propose a Pareto Domain Adaptation (ParetoDA) approach to control the overall optimization direction, aiming to cooperatively optimize all training objectives. Specifically, to reach a desirable solution on the target domain, we design a surrogate loss mimicking target classification. To improve target-prediction accuracy to support the mimicking, we propose a target-prediction refining mechanism which exploits domain labels via Bayes' theorem. On the other hand, since prior knowledge of weighting schemes for objectives is often unavailable to guide optimization to approach the optimal solution on the target domain, we propose a dynamic preference mechanism to dynamically guide our cooperative optimization by the gradient of the surrogate loss on a held-out unlabeled target dataset. Extensive experiments on image classification and semantic segmentation benchmarks demonstrate the effectiveness of ParetoDA

Beyond Reverse KL: Generalizing Direct Preference Optimization with Diverse Divergence Constraints

The increasing capabilities of large language models (LLMs) raise opportunities for artificial general intelligence but concurrently amplify safety concerns, such as potential misuse of AI systems, necessitating effective AI alignment. Reinforcement Learning from Human Feedback (RLHF) has emerged as a promising pathway towards AI alignment but brings forth challenges due to its complexity and dependence on a separate reward model. Direct Preference Optimization (DPO) has been proposed as an alternative, and it remains equivalent to RLHF under the reverse KL regularization constraint. This paper presents f-DPO, a generalized approach to DPO by incorporating diverse divergence constraints. We show that under certain f-divergences, including Jensen-Shannon divergence, forward KL divergences and alpha-divergences, the complex relationship between the reward and optimal policy can also be simplified by addressing the Karush-Kuhn-Tucker conditions. This eliminates the need for estimating the normalizing constant in the Bradley-Terry model and enables a tractable mapping between the reward function and the optimal policy. Our approach optimizes LLMs to align with human preferences in a more efficient and supervised manner under a broad set of divergence constraints. Empirically, adopting these divergences ensures a balance between alignment performance and generation diversity. Importantly, f-DPO outperforms PPO-based methods in divergence efficiency, and divergence constraints directly influence expected calibration error (ECE).

Pairwise Proximal Policy Optimization: Harnessing Relative Feedback for LLM Alignment

Large Language Models (LLMs) can acquire extensive world knowledge through pre-training on large corpora. However, due to exposure to low-quality data, LLMs may exhibit harmful behavior without aligning with human values. The dominant approach for steering LLMs towards beneficial behavior involves Reinforcement Learning with Human Feedback (RLHF), with Proximal Policy Optimization (PPO) serving as the default RL optimizer. Despite its effectiveness, PPO has limitations when optimizing rewards trained from comparison-based loss. Primarily, PPO is not invariant to equivalent reward functions containing identical preference information due to the need to calibrate the reward scale. Additionally, PPO's necessity for token-wise updates introduces complexity in both function approximation and algorithm design compared to trajectory-wise optimization. This paper proposes a new framework, reinforcement learning with relative feedback, and a novel trajectory-wise policy gradient algorithm, Pairwise Proximal Policy Optimization (P3O) that operates directly on comparative rewards. We show theoretically that P3O is invariant to equivalent rewards and avoids the complexity of PPO. Empirical evaluations demonstrate that P3O outperforms PPO in the KL-Reward trade-off and can align with human preferences as well as or better than prior methods. In summary, this work introduces a simpler yet effective approach for aligning LLMs to human preferences through relative feedback.

A Minimaximalist Approach to Reinforcement Learning from Human Feedback

We present Self-Play Preference Optimization (SPO), an algorithm for reinforcement learning from human feedback. Our approach is minimalist in that it does not require training a reward model nor unstable adversarial training and is therefore rather simple to implement. Our approach is maximalist in that it provably handles non-Markovian, intransitive, and stochastic preferences while being robust to the compounding errors that plague offline approaches to sequential prediction. To achieve the preceding qualities, we build upon the concept of a Minimax Winner (MW), a notion of preference aggregation from the social choice theory literature that frames learning from preferences as a zero-sum game between two policies. By leveraging the symmetry of this game, we prove that rather than using the traditional technique of dueling two policies to compute the MW, we can simply have a single agent play against itself while maintaining strong convergence guarantees. Practically, this corresponds to sampling multiple trajectories from a policy, asking a rater or preference model to compare them, and then using the proportion of wins as the reward for a particular trajectory. We demonstrate that on a suite of continuous control tasks, we are able to learn significantly more efficiently than reward-model based approaches while maintaining robustness to the intransitive and stochastic preferences that frequently occur in practice when aggregating human judgments.

Learning Lipschitz Feedback Policies from Expert Demonstrations: Closed-Loop Guarantees, Generalization and Robustness

In this work, we propose a framework to learn feedback control policies with guarantees on closed-loop generalization and adversarial robustness. These policies are learned directly from expert demonstrations, contained in a dataset of state-control input pairs, without any prior knowledge of the task and system model. We use a Lipschitz-constrained loss minimization scheme to learn feedback policies with certified closed-loop robustness, wherein the Lipschitz constraint serves as a mechanism to tune the generalization performance and robustness to adversarial disturbances. Our analysis exploits the Lipschitz property to obtain closed-loop guarantees on generalization and robustness of the learned policies. In particular, we derive a finite sample bound on the policy learning error and establish robust closed-loop stability under the learned control policy. We also derive bounds on the closed-loop regret with respect to the expert policy and the deterioration of closed-loop performance under bounded (adversarial) disturbances to the state measurements. Numerical results validate our analysis and demonstrate the effectiveness of our robust feedback policy learning framework. Finally, our results suggest the existence of a potential tradeoff between nominal closed-loop performance and adversarial robustness, and that improvements in nominal closed-loop performance can only be made at the expense of robustness to adversarial perturbations.

Can Prompt Difficulty be Online Predicted for Accelerating RL Finetuning of Reasoning Models?

Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts.

Accelerating Nash Learning from Human Feedback via Mirror Prox

Traditional Reinforcement Learning from Human Feedback (RLHF) often relies on reward models, frequently assuming preference structures like the Bradley-Terry model, which may not accurately capture the complexities of real human preferences (e.g., intransitivity). Nash Learning from Human Feedback (NLHF) offers a more direct alternative by framing the problem as finding a Nash equilibrium of a game defined by these preferences. In this work, we introduce Nash Mirror Prox (Nash-MP), an online NLHF algorithm that leverages the Mirror Prox optimization scheme to achieve fast and stable convergence to the Nash equilibrium. Our theoretical analysis establishes that Nash-MP exhibits last-iterate linear convergence towards the beta-regularized Nash equilibrium. Specifically, we prove that the KL-divergence to the optimal policy decreases at a rate of order (1+2beta)^{-N/2}, where N is a number of preference queries. We further demonstrate last-iterate linear convergence for the exploitability gap and uniformly for the span semi-norm of log-probabilities, with all these rates being independent of the size of the action space. Furthermore, we propose and analyze an approximate version of Nash-MP where proximal steps are estimated using stochastic policy gradients, making the algorithm closer to applications. Finally, we detail a practical implementation strategy for fine-tuning large language models and present experiments that demonstrate its competitive performance and compatibility with existing methods.

Sample complexity of data-driven tuning of model hyperparameters in neural networks with structured parameter-dependent dual function

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

Lipschitzness Is All You Need To Tame Off-policy Generative Adversarial Imitation Learning

Despite the recent success of reinforcement learning in various domains, these approaches remain, for the most part, deterringly sensitive to hyper-parameters and are often riddled with essential engineering feats allowing their success. We consider the case of off-policy generative adversarial imitation learning, and perform an in-depth review, qualitative and quantitative, of the method. We show that forcing the learned reward function to be local Lipschitz-continuous is a sine qua non condition for the method to perform well. We then study the effects of this necessary condition and provide several theoretical results involving the local Lipschitzness of the state-value function. We complement these guarantees with empirical evidence attesting to the strong positive effect that the consistent satisfaction of the Lipschitzness constraint on the reward has on imitation performance. Finally, we tackle a generic pessimistic reward preconditioning add-on spawning a large class of reward shaping methods, which makes the base method it is plugged into provably more robust, as shown in several additional theoretical guarantees. We then discuss these through a fine-grained lens and share our insights. Crucially, the guarantees derived and reported in this work are valid for any reward satisfying the Lipschitzness condition, nothing is specific to imitation. As such, these may be of independent interest.

LiPO: Listwise Preference Optimization through Learning-to-Rank

Aligning language models (LMs) with curated human feedback is critical to control their behaviors in real-world applications. Several recent policy optimization methods, such as DPO and SLiC, serve as promising alternatives to the traditional Reinforcement Learning from Human Feedback (RLHF) approach. In practice, human feedback often comes in a format of a ranked list over multiple responses to amortize the cost of reading prompt. Multiple responses can also be ranked by reward models or AI feedback. There lacks such a study on directly fitting upon a list of responses. In this work, we formulate the LM alignment as a listwise ranking problem and describe the Listwise Preference Optimization (LiPO) framework, where the policy can potentially learn more effectively from a ranked list of plausible responses given the prompt. This view draws an explicit connection to Learning-to-Rank (LTR), where most existing preference optimization work can be mapped to existing ranking objectives, especially pairwise ones. Following this connection, we provide an examination of ranking objectives that are not well studied for LM alignment withDPO and SLiC as special cases when list size is two. In particular, we highlight a specific method, LiPO-{\lambda}, which leverages a state-of-the-art listwise ranking objective and weights each preference pair in a more advanced manner. We show that LiPO-{\lambda} can outperform DPO and SLiC by a clear margin on two preference alignment tasks.

Transductive Few-Shot Learning: Clustering is All You Need?

We investigate a general formulation for clustering and transductive few-shot learning, which integrates prototype-based objectives, Laplacian regularization and supervision constraints from a few labeled data points. We propose a concave-convex relaxation of the problem, and derive a computationally efficient block-coordinate bound optimizer, with convergence guarantee. At each iteration,our optimizer computes independent (parallel) updates for each point-to-cluster assignment. Therefore, it could be trivially distributed for large-scale clustering and few-shot tasks. Furthermore, we provides a thorough convergence analysis based on point-to-set maps. Were port comprehensive clustering and few-shot learning experiments over various data sets, showing that our method yields competitive performances, in term of accuracy and optimization quality, while scaling up to large problems. Using standard training on the base classes, without resorting to complex meta-learning and episodic-training strategies, our approach outperforms state-of-the-art few-shot methods by significant margins, across various models, settings and data sets. Surprisingly, we found that even standard clustering procedures (e.g., K-means), which correspond to particular, non-regularized cases of our general model, already achieve competitive performances in comparison to the state-of-the-art in few-shot learning. These surprising results point to the limitations of the current few-shot benchmarks, and question the viability of a large body of convoluted few-shot learning techniques in the recent literature.

Contrastive Prefence Learning: Learning from Human Feedback without RL

Reinforcement Learning from Human Feedback (RLHF) has emerged as a popular paradigm for aligning models with human intent. Typically RLHF algorithms operate in two phases: first, use human preferences to learn a reward function and second, align the model by optimizing the learned reward via reinforcement learning (RL). This paradigm assumes that human preferences are distributed according to reward, but recent work suggests that they instead follow the regret under the user's optimal policy. Thus, learning a reward function from feedback is not only based on a flawed assumption of human preference, but also leads to unwieldy optimization challenges that stem from policy gradients or bootstrapping in the RL phase. Because of these optimization challenges, contemporary RLHF methods restrict themselves to contextual bandit settings (e.g., as in large language models) or limit observation dimensionality (e.g., state-based robotics). We overcome these limitations by introducing a new family of algorithms for optimizing behavior from human feedback using the regret-based model of human preferences. Using the principle of maximum entropy, we derive Contrastive Preference Learning (CPL), an algorithm for learning optimal policies from preferences without learning reward functions, circumventing the need for RL. CPL is fully off-policy, uses only a simple contrastive objective, and can be applied to arbitrary MDPs. This enables CPL to elegantly scale to high-dimensional and sequential RLHF problems while being simpler than prior methods.

Confronting Reward Model Overoptimization with Constrained RLHF

Large language models are typically aligned with human preferences by optimizing reward models (RMs) fitted to human feedback. However, human preferences are multi-faceted, and it is increasingly common to derive reward from a composition of simpler reward models which each capture a different aspect of language quality. This itself presents a challenge, as it is difficult to appropriately weight these component RMs when combining them. Compounding this difficulty, because any RM is only a proxy for human evaluation, this process is vulnerable to overoptimization, wherein past a certain point, accumulating higher reward is associated with worse human ratings. In this paper, we perform, to our knowledge, the first study on overoptimization in composite RMs, showing that correlation between component RMs has a significant effect on the locations of these points. We then introduce an approach to solve this issue using constrained reinforcement learning as a means of preventing the agent from exceeding each RM's threshold of usefulness. Our method addresses the problem of weighting component RMs by learning dynamic weights, naturally expressed by Lagrange multipliers. As a result, each RM stays within the range at which it is an effective proxy, improving evaluation performance. Finally, we introduce an adaptive method using gradient-free optimization to identify and optimize towards these points during a single run.

Reward Model Ensembles Help Mitigate Overoptimization

Reinforcement learning from human feedback (RLHF) is a standard approach for fine-tuning large language models to follow instructions. As part of this process, learned reward models are used to approximately model human preferences. However, as imperfect representations of the "true" reward, these learned reward models are susceptible to overoptimization. Gao et al. (2023) studied this phenomenon in a synthetic human feedback setup with a significantly larger "gold" reward model acting as the true reward (instead of humans) and showed that overoptimization remains a persistent problem regardless of the size of the proxy reward model and training data used. Using a similar setup, we conduct a systematic study to evaluate the efficacy of using ensemble-based conservative optimization objectives, specifically worst-case optimization (WCO) and uncertainty-weighted optimization (UWO), for mitigating reward model overoptimization when using two optimization methods: (a) best-of-n sampling (BoN) (b) proximal policy optimization (PPO). We additionally extend the setup of Gao et al. (2023) to include 25% label noise to better mirror real-world conditions. Both with and without label noise, we find that conservative optimization practically eliminates overoptimization and improves performance by up to 70% for BoN sampling. For PPO, ensemble-based conservative optimization always reduces overoptimization and outperforms single reward model optimization. Moreover, combining it with a small KL penalty successfully prevents overoptimization at no performance cost. Overall, our results demonstrate that ensemble-based conservative optimization can effectively counter overoptimization.

Actor-Critics Can Achieve Optimal Sample Efficiency

Actor-critic algorithms have become a cornerstone in reinforcement learning (RL), leveraging the strengths of both policy-based and value-based methods. Despite recent progress in understanding their statistical efficiency, no existing work has successfully learned an epsilon-optimal policy with a sample complexity of O(1/epsilon^2) trajectories with general function approximation when strategic exploration is necessary. We address this open problem by introducing a novel actor-critic algorithm that attains a sample-complexity of O(dH^5 log|A|/epsilon^2 + d H^4 log|F|/ epsilon^2) trajectories, and accompanying T regret when the Bellman eluder dimension d does not increase with T at more than a log T rate. Here, F is the critic function class, A is the action space, and H is the horizon in the finite horizon MDP setting. Our algorithm integrates optimism, off-policy critic estimation targeting the optimal Q-function, and rare-switching policy resets. We extend this to the setting of Hybrid RL, showing that initializing the critic with offline data yields sample efficiency gains compared to purely offline or online RL. Further, utilizing access to offline data, we provide a non-optimistic provably efficient actor-critic algorithm that only additionally requires N_{off} geq c_{off}^*dH^4/epsilon^2 in exchange for omitting optimism, where c_{off}^* is the single-policy concentrability coefficient and N_{off} is the number of offline samples. This addresses another open problem in the literature. We further provide numerical experiments to support our theoretical findings.

Constrained Optimization via Exact Augmented Lagrangian and Randomized Iterative Sketching

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

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.

Review, Refine, Repeat: Understanding Iterative Decoding of AI Agents with Dynamic Evaluation and Selection

While AI agents have shown remarkable performance at various tasks, they still struggle with complex multi-modal applications, structured generation and strategic planning. Improvements via standard fine-tuning is often impractical, as solving agentic tasks usually relies on black box API access without control over model parameters. Inference-time methods such as Best-of-N (BON) sampling offer a simple yet effective alternative to improve performance. However, BON lacks iterative feedback integration mechanism. Hence, we propose Iterative Agent Decoding (IAD) which combines iterative refinement with dynamic candidate evaluation and selection guided by a verifier. IAD differs in how feedback is designed and integrated, specifically optimized to extract maximal signal from reward scores. We conduct a detailed comparison of baselines across key metrics on Sketch2Code, Text2SQL, and Webshop where IAD consistently outperforms baselines, achieving 3--6% absolute gains on Sketch2Code and Text2SQL (with and without LLM judges) and 8--10% gains on Webshop across multiple metrics. To better understand the source of IAD's gains, we perform controlled experiments to disentangle the effect of adaptive feedback from stochastic sampling, and find that IAD's improvements are primarily driven by verifier-guided refinement, not merely sampling diversity. We also show that both IAD and BON exhibit inference-time scaling with increased compute when guided by an optimal verifier. Our analysis highlights the critical role of verifier quality in effective inference-time optimization and examines the impact of noisy and sparse rewards on scaling behavior. Together, these findings offer key insights into the trade-offs and principles of effective inference-time optimization.

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.