new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jul 29

Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

  • 10 authors
·
Nov 20, 2024

DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

  • 6 authors
·
Mar 6, 2024

Chem-R: Learning to Reason as a Chemist

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical tasks. To address these challenges, we propose Chem-R, a generalizable Chemical Reasoning model designed to emulate the deliberative processes of chemists. Chem-R is trained through a three-phase framework that progressively builds advanced reasoning capabilities, including: 1) Chemical Foundation Training, which establishes core chemical knowledge. 2) Chemical Reasoning Protocol Distillation, incorporating structured, expert-like reasoning traces to guide systematic and reliable problem solving. 3) Multi-task Group Relative Policy Optimization that optimizes the model for balanced performance across diverse molecular- and reaction-level tasks. This structured pipeline enables Chem-R to achieve state-of-the-art performance on comprehensive benchmarks, surpassing leading large language models, including Gemini-2.5-Pro and DeepSeek-R1, by up to 46% on molecular tasks and 66% on reaction tasks. Meanwhile, Chem-R also consistently outperforms the existing chemical foundation models across both molecular and reaction level tasks. These results highlight Chem-R's robust generalization, interpretability, and potential as a foundation for next-generation AI-driven chemical discovery.

ShanghaiAiLab shanghai ailab
·
Oct 19, 2025 3

TimeSearch-R: Adaptive Temporal Search for Long-Form Video Understanding via Self-Verification Reinforcement Learning

Temporal search aims to identify a minimal set of relevant frames from tens of thousands based on a given query, serving as a foundation for accurate long-form video understanding. Existing works attempt to progressively narrow the search space. However, these approaches typically rely on a hand-crafted search process, lacking end-to-end optimization for learning optimal search strategies. In this paper, we propose TimeSearch-R, which reformulates temporal search as interleaved text-video thinking, seamlessly integrating searching video clips into the reasoning process through reinforcement learning (RL). However, applying RL training methods, such as Group Relative Policy Optimization (GRPO), to video reasoning can result in unsupervised intermediate search decisions. This leads to insufficient exploration of the video content and inconsistent logical reasoning. To address these issues, we introduce GRPO with Completeness Self-Verification (GRPO-CSV), which gathers searched video frames from the interleaved reasoning process and utilizes the same policy model to verify the adequacy of searched frames, thereby improving the completeness of video reasoning. Additionally, we construct datasets specifically designed for the SFT cold-start and RL training of GRPO-CSV, filtering out samples with weak temporal dependencies to enhance task difficulty and improve temporal search capabilities. Extensive experiments demonstrate that TimeSearch-R achieves significant improvements on temporal search benchmarks such as Haystack-LVBench and Haystack-Ego4D, as well as long-form video understanding benchmarks like VideoMME and MLVU. Notably, TimeSearch-R establishes a new state-of-the-art on LongVideoBench with 4.1% improvement over the base model Qwen2.5-VL and 2.0% over the advanced video reasoning model Video-R1. Our code is available at https://github.com/Time-Search/TimeSearch-R.

ByteDance ByteDance
·
Nov 7, 2025 2

Diversity-Enhanced Reasoning for Subjective Questions

Large reasoning models (LRM) with long chain-of-thought (CoT) capabilities have shown strong performance on objective tasks, such as math reasoning and coding. However, their effectiveness on subjective questions that may have different responses from different perspectives is still limited by a tendency towards homogeneous reasoning, introduced by the reliance on a single ground truth in supervised fine-tuning and verifiable reward in reinforcement learning. Motivated by the finding that increasing role perspectives consistently improves performance, we propose MultiRole-R1, a diversity-enhanced framework with multiple role perspectives, to improve the accuracy and diversity in subjective reasoning tasks. MultiRole-R1 features an unsupervised data construction pipeline that generates reasoning chains that incorporate diverse role perspectives. We further employ reinforcement learning via Group Relative Policy Optimization (GRPO) with reward shaping, by taking diversity as a reward signal in addition to the verifiable reward. With specially designed reward functions, we successfully promote perspective diversity and lexical diversity, uncovering a positive relation between reasoning diversity and accuracy. Our experiment on six benchmarks demonstrates MultiRole-R1's effectiveness and generalizability in enhancing both subjective and objective reasoning, showcasing the potential of diversity-enhanced training in LRMs.

  • 4 authors
·
Jul 27, 2025 2

Beyond Time Shifts: Adapting Omni-LLM as a Reference-Free Evaluator for Generative Audio-Visual Models

As audio-visual generative models evolve into world simulators, cross-modal synchronization stands as a critical proxy for assessing the consistency of world dynamics and causality in generated content. However, existing evaluation metrics presume structural correctness, reducing synchronization to mere temporal alignment. Consequently, they fail on generative outputs, especially when exhibiting structural hallucinations and asymmetric cross-modal relations, which currently mandate expert human annotation to assess synchronization. This dependency introduces a critical paradox: human evaluators rely on relative, reference-dependent comparisons, whereas automated metrics require reference-free, absolute scalars. We resolve this paradox by proposing a framework that distills relative human perception into a continuous, globally consistent metric. First, we introduce SynthSync, a dataset of generative failures ranked via pairwise human annotations. Second, we adapt the Omni-LLM equipped with a continuous latent projection to translate relative human rankings into continuous absolute values. Third, we propose Real-Valued Group Relative Policy Optimization (R-GRPO) to internalize the global causal structure of synchronization via listwise score distributions. Empirically, our metric achieves state-of-the-art human preference alignment. We leverage this estimator to establish a standardized benchmark, advancing AV-Gen assessment from low-level signal correlation to visually grounded causality.

  • 9 authors
·
Jul 9

JarvisArt: Liberating Human Artistic Creativity via an Intelligent Photo Retouching Agent

Photo retouching has become integral to contemporary visual storytelling, enabling users to capture aesthetics and express creativity. While professional tools such as Adobe Lightroom offer powerful capabilities, they demand substantial expertise and manual effort. In contrast, existing AI-based solutions provide automation but often suffer from limited adjustability and poor generalization, failing to meet diverse and personalized editing needs. To bridge this gap, we introduce JarvisArt, a multi-modal large language model (MLLM)-driven agent that understands user intent, mimics the reasoning process of professional artists, and intelligently coordinates over 200 retouching tools within Lightroom. JarvisArt undergoes a two-stage training process: an initial Chain-of-Thought supervised fine-tuning to establish basic reasoning and tool-use skills, followed by Group Relative Policy Optimization for Retouching (GRPO-R) to further enhance its decision-making and tool proficiency. We also propose the Agent-to-Lightroom Protocol to facilitate seamless integration with Lightroom. To evaluate performance, we develop MMArt-Bench, a novel benchmark constructed from real-world user edits. JarvisArt demonstrates user-friendly interaction, superior generalization, and fine-grained control over both global and local adjustments, paving a new avenue for intelligent photo retouching. Notably, it outperforms GPT-4o with a 60% improvement in average pixel-level metrics on MMArt-Bench for content fidelity, while maintaining comparable instruction-following capabilities. Project Page: https://jarvisart.vercel.app/.

  • 11 authors
·
Jun 21, 2025 3

SceneSplat++: A Large Dataset and Comprehensive Benchmark for Language Gaussian Splatting

3D Gaussian Splatting (3DGS) serves as a highly performant and efficient encoding of scene geometry, appearance, and semantics. Moreover, grounding language in 3D scenes has proven to be an effective strategy for 3D scene understanding. Current Language Gaussian Splatting line of work fall into three main groups: (i) per-scene optimization-based, (ii) per-scene optimization-free, and (iii) generalizable approach. However, most of them are evaluated only on rendered 2D views of a handful of scenes and viewpoints close to the training views, limiting ability and insight into holistic 3D understanding. To address this gap, we propose the first large-scale benchmark that systematically assesses these three groups of methods directly in 3D space, evaluating on 1060 scenes across three indoor datasets and one outdoor dataset. Benchmark results demonstrate a clear advantage of the generalizable paradigm, particularly in relaxing the scene-specific limitation, enabling fast feed-forward inference on novel scenes, and achieving superior segmentation performance. We further introduce GaussianWorld-49K a carefully curated 3DGS dataset comprising around 49K diverse indoor and outdoor scenes obtained from multiple sources, with which we demonstrate the generalizable approach could harness strong data priors. Our codes, benchmark, and datasets will be made public to accelerate research in generalizable 3DGS scene understanding.

  • 13 authors
·
Jun 10, 2025

Model Compression with Exact Budget Constraints via Riemannian Manifolds

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, including mixed-precision quantization, non-uniform pruning, and expert selection. The objective, typically model loss, depends jointly on all assignments and does not decompose across groups, preventing combinatorial solvers from directly optimizing the true objective and forcing reliance on proxy formulations. Methods such as evolutionary search evaluate the actual loss but lack gradient information, while penalty-based approaches enforce the budget only approximately and often require extensive hyperparameter tuning. We present a new approach by showing that, under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually simple geometry. The normal vector admits a closed-form expression, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on these properties, we propose Riemannian Constrained Optimization (RCO), which augments a standard Adam step with tangent projection, binary-search retraction, and momentum transport. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO enables first-order optimization of the actual loss under exact budget enforcement without introducing constraint-specific hyperparameters. Across both synthetic benchmarks and realistic LLM compression settings, RCO matches or exceeds state-of-the-art methods while often requiring substantially less wall-clock time. Source code is available at https://github.com/IST-DASLab/RCO.

  • 2 authors
·
May 6

Adaptive Sampling Strategies to Construct Equitable Training Datasets

In domains ranging from computer vision to natural language processing, machine learning models have been shown to exhibit stark disparities, often performing worse for members of traditionally underserved groups. One factor contributing to these performance gaps is a lack of representation in the data the models are trained on. It is often unclear, however, how to operationalize representativeness in specific applications. Here we formalize the problem of creating equitable training datasets, and propose a statistical framework for addressing this problem. We consider a setting where a model builder must decide how to allocate a fixed data collection budget to gather training data from different subgroups. We then frame dataset creation as a constrained optimization problem, in which one maximizes a function of group-specific performance metrics based on (estimated) group-specific learning rates and costs per sample. This flexible approach incorporates preferences of model-builders and other stakeholders, as well as the statistical properties of the learning task. When data collection decisions are made sequentially, we show that under certain conditions this optimization problem can be efficiently solved even without prior knowledge of the learning rates. To illustrate our approach, we conduct a simulation study of polygenic risk scores on synthetic genomic data -- an application domain that often suffers from non-representative data collection. We find that our adaptive sampling strategy outperforms several common data collection heuristics, including equal and proportional sampling, demonstrating the value of strategic dataset design for building equitable models.

  • 7 authors
·
Jan 31, 2022

Hierarchy-of-Groups Policy Optimization for Long-Horizon Agentic Tasks

Group-based reinforcement learning (RL), such as GRPO, has advanced the capabilities of large language models on long-horizon agentic tasks. To enable more fine-grained policy updates, recent research has increasingly shifted toward stepwise group-based policy optimization, which treats each step in a rollout trajectory independently while using a memory module to retain historical context. However, we find a key issue in estimating stepwise relative advantages, namely context inconsistency, where steps within the same group may differ in their historical contexts. Empirically, we reveal that this issue can lead to severely biased advantage estimation, thereby degrading policy optimization significantly. To address the issue, in this paper, we propose Hierarchy-of-Groups Policy Optimization (HGPO) for long-horizon agentic tasks. Specifically, within a group of rollout trajectories, HGPO assigns each step to multiple hierarchical groups according to the consistency of historical contexts. Then, for each step, HGPO computes distinct advantages within each group and aggregates them with an adaptive weighting scheme. In this way, HGPO can achieve a favorable bias-variance trade-off in stepwise advantage estimation, without extra models or rollouts. Evaluations on two challenging agentic tasks, ALFWorld and WebShop with Qwen2.5-1.5B-Instruct and Qwen2.5-7B-Instruct, show that HGPO significantly outperforms existing agentic RL methods under the same computational constraints. Code is available at https://github.com/langfengQ/verl-agent/tree/master/recipe/hgpo.

  • 6 authors
·
Feb 26

Achieving Sample and Computational Efficient Reinforcement Learning by Action Space Reduction via Grouping

Reinforcement learning often needs to deal with the exponential growth of states and actions when exploring optimal control in high-dimensional spaces (often known as the curse of dimensionality). In this work, we address this issue by learning the inherent structure of action-wise similar MDP to appropriately balance the performance degradation versus sample/computational complexity. In particular, we partition the action spaces into multiple groups based on the similarity in transition distribution and reward function, and build a linear decomposition model to capture the difference between the intra-group transition kernel and the intra-group rewards. Both our theoretical analysis and experiments reveal a surprising and counter-intuitive result: while a more refined grouping strategy can reduce the approximation error caused by treating actions in the same group as identical, it also leads to increased estimation error when the size of samples or the computation resources is limited. This finding highlights the grouping strategy as a new degree of freedom that can be optimized to minimize the overall performance loss. To address this issue, we formulate a general optimization problem for determining the optimal grouping strategy, which strikes a balance between performance loss and sample/computational complexity. We further propose a computationally efficient method for selecting a nearly-optimal grouping strategy, which maintains its computational complexity independent of the size of the action space.

  • 3 authors
·
Jun 22, 2023

Group-in-Group Policy Optimization for LLM Agent Training

Recent advances in group-based reinforcement learning (RL) have driven frontier large language models (LLMs) in single-turn tasks like mathematical reasoning. However, their scalability to long-horizon LLM agent training remains limited. Unlike static tasks, agent-environment interactions unfold over many steps and often yield sparse or delayed rewards, making credit assignment across individual steps significantly more challenging. In this work, we propose Group-in-Group Policy Optimization (GiGPO), a novel RL algorithm that achieves fine-grained credit assignment for LLM agents while preserving the appealing properties of group-based RL: critic-free, low memory, and stable convergence. GiGPO introduces a two-level structure for estimating relative advantage: (i) At the episode-level, GiGPO computes macro relative advantages based on groups of complete trajectories; (ii) At the step-level, GiGPO introduces an anchor state grouping mechanism that retroactively constructs step-level groups by identifying repeated environment states across trajectories. Actions stemming from the same state are grouped together, enabling micro relative advantage estimation. This hierarchical structure effectively captures both global trajectory quality and local step effectiveness without relying on auxiliary models or additional rollouts. We evaluate GiGPO on two challenging agent benchmarks, ALFWorld and WebShop, using Qwen2.5-1.5B-Instruct and Qwen2.5-7B-Instruct. Crucially, GiGPO delivers fine-grained per-step credit signals and achieves performance gains of > 12\% on ALFWorld and > 9\% on WebShop over the GRPO baseline: all while maintaining the same GPU memory overhead, identical LLM rollout, and incurring little to no additional time cost.

  • 4 authors
·
May 16, 2025

Oracle Efficient Algorithms for Groupwise Regret

We study the problem of online prediction, in which at each time step t, an individual x_t arrives, whose label we must predict. Each individual is associated with various groups, defined based on their features such as age, sex, race etc., which may intersect. Our goal is to make predictions that have regret guarantees not just overall but also simultaneously on each sub-sequence comprised of the members of any single group. Previous work such as [Blum & Lykouris] and [Lee et al] provide attractive regret guarantees for these problems; however, these are computationally intractable on large model classes. We show that a simple modification of the sleeping experts technique of [Blum & Lykouris] yields an efficient reduction to the well-understood problem of obtaining diminishing external regret absent group considerations. Our approach gives similar regret guarantees compared to [Blum & Lykouris]; however, we run in time linear in the number of groups, and are oracle-efficient in the hypothesis class. This in particular implies that our algorithm is efficient whenever the number of groups is polynomially bounded and the external-regret problem can be solved efficiently, an improvement on [Blum & Lykouris]'s stronger condition that the model class must be small. Our approach can handle online linear regression and online combinatorial optimization problems like online shortest paths. Beyond providing theoretical regret bounds, we evaluate this algorithm with an extensive set of experiments on synthetic data and on two real data sets -- Medical costs and the Adult income dataset, both instantiated with intersecting groups defined in terms of race, sex, and other demographic characteristics. We find that uniformly across groups, our algorithm gives substantial error improvements compared to running a standard online linear regression algorithm with no groupwise regret guarantees.

  • 5 authors
·
Oct 6, 2023

sGPO: Trading Inference FLOPs for Training Efficiency in RLVR

Standard Reinforcement Learning with Verifiable Rewards (RLVR) training allocates a fixed rollout budget to every query, without regard for what each query's difficulty means for the current policy. This leads to two symmetric failure modes: easy queries produce near-zero advantage because the policy already solves them, while unsolvable queries produce no signal because the policy never solves them. Both regimes waste training FLOPs without contributing to a learning gradient. We introduce sorted Group Policy Optimization (sGPO), a compute-efficient strategy that trades a small budget of inference FLOPs for a large reduction in wasted training FLOPs. The key insight is that cheap inference compute can serve as a single offline proxy for query difficulty. By generating a small batch of parallel samples per query under the initial policy, we obtain a model-aware empirical success rate. This motivates setting the training rollout group size to the inverse of this success rate, a practical rule that maximizes sample efficiency by extracting the most advantage per generated rollout. This single profiling pass simultaneously drives data filtering (removing trivial queries and sub-sampling unsolvable ones), adaptive group size allocation, and curriculum construction (scheduling queries from easy to hard). sGPO matches or exceeds baseline performance while reducing total training compute by a factor of three, with the upfront inference profiling cost included.

  • 4 authors
·
Jun 6

Polynomial-Time Optimal Group Selection via the Double-Commutator Eigenvalue Problem

The algebraic diversity framework generalizes temporal averaging over multiple observations to algebraic group action on a single observation for second-order statistical estimation. The central open problem in this framework is group selection: given an M-dimensional observation with unknown covariance structure, find the finite group whose spectral decomposition best matches the covariance. Naive enumeration of all subgroups of the symmetric group S_M requires exponential time in M. We prove that this combinatorial problem reduces to a generalized eigenvalue problem derived from the double commutator of the covariance matrix, yielding a polynomial-time algorithm with complexity O(d^2M^2 + d^3), where d is the dimension of a generator basis. The minimum eigenvector of the double-commutator matrix directly constructs the optimal group generator in closed form, with no iterative optimization. The reduction is exact: the double-commutator minimum eigenvalue is zero if and only if the optimal generator lies in the span of the basis, and its magnitude provides a certifiable optimality gap when it does not. This problem does not appear in the standard catalogs of computational complexity (Garey and Johnson, 1979) and represents a new class linking group theory, matrix analysis, and statistical estimation. We establish connections to independent component analysis (JADE), structured matrix nearness problems, and simultaneous matrix diagonalization, and we show that the double-commutator formulation is the unique approach that is simultaneously polynomial-time, closed-form, and certifiable. We extend the framework to non-Abelian symmetry recovery via a Sequential GEVP with deflation, and add two identifiability theorems characterizing the commutant-lattice ambiguity and the dichotomy on whether Aut(R) recovers a generative subgroup or only a supergroup.

  • 1 authors
·
May 7

iGRPO: Self-Feedback-Driven LLM Reasoning

Large Language Models (LLMs) have shown promise in solving complex mathematical problems, yet they still fall short of producing accurate and consistent solutions. Reinforcement Learning (RL) is a framework for aligning these models with task-specific rewards, improving overall quality and reliability. Group Relative Policy Optimization (GRPO) is an efficient, value-function-free alternative to Proximal Policy Optimization (PPO) that leverages group-relative reward normalization. We introduce Iterative Group Relative Policy Optimization (iGRPO), a two-stage extension of GRPO that adds dynamic self-conditioning through model-generated drafts. In Stage 1, iGRPO samples multiple exploratory drafts and selects the highest-reward draft using the same scalar reward signal used for optimization. In Stage 2, it appends this best draft to the original prompt and applies a GRPO-style update on draft-conditioned refinements, training the policy to improve beyond its strongest prior attempt. Under matched rollout budgets, iGRPO consistently outperforms GRPO across base models (e.g., Nemotron-H-8B-Base-8K and DeepSeek-R1 Distilled), validating its effectiveness on diverse reasoning benchmarks. Moreover, applying iGRPO to OpenReasoning-Nemotron-7B trained on AceReason-Math achieves new state-of-the-art results of 85.62\% and 79.64\% on AIME24 and AIME25, respectively. Ablations further show that the refinement wrapper generalizes beyond GRPO variants, benefits from a generative judge, and alters learning dynamics by delaying entropy collapse. These results underscore the potential of iterative, self-feedback-based RL for advancing verifiable mathematical reasoning.

nvidia NVIDIA
·
Feb 9 2

R^3: Replay, Reflection, and Ranking Rewards for LLM Reinforcement Learning

Large reasoning models (LRMs) aim to solve diverse and complex problems through structured reasoning. Recent advances in group-based policy optimization methods have shown promise in enabling stable advantage estimation without reliance on process-level annotations. However, these methods rely on advantage gaps induced by high-quality samples within the same batch, which makes the training process fragile and inefficient when intra-group advantages collapse under challenging tasks. To address these problems, we propose a reinforcement learning mechanism named \textbf{R^3} that along three directions: (1) a cross-context \underline{\textbf{R}eplay} strategy that maintains the intra-group advantage by recalling valuable examples from historical trajectories of the same query, (2) an in-context self-\underline{\textbf{R}eflection} mechanism enabling models to refine outputs by leveraging past failures, and (3) a structural entropy \underline{\textbf{R}anking reward}, which assigns relative rewards to truncated or failed samples by ranking responses based on token-level entropy patterns, capturing both local exploration and global stability. We implement our method on Deepseek-R1-Distill-Qwen-1.5B and train it on the DeepscaleR-40k in the math domain. Experiments demonstrate our method achieves SoTA performance on several math benchmarks, representing significant improvements and fewer reasoning tokens over the base models. Code and model will be released.

  • 8 authors
·
Jan 27

R_dm: Re-conceptualizing Distribution Matching as a Reward for Diffusion Distillation

Diffusion models achieve state-of-the-art generative performance but are fundamentally bottlenecked by their slow, iterative sampling process. While diffusion distillation techniques enable high-fidelity, few-step generation, traditional objectives often restrict the student's performance by anchoring it solely to the teacher. Recent approaches have attempted to break this ceiling by integrating Reinforcement Learning (RL), typically through a simple summation of distillation and RL objectives. In this work, we propose a novel paradigm by re-conceptualizing distribution matching as a reward, denoted as R_dm. This unified perspective bridges the algorithmic gap between Diffusion Matching Distillation (DMD) and RL, providing several primary benefits. (1) Enhanced Optimization Stability: We introduce Group Normalized Distribution Matching (GNDM), which adapts standard RL group normalization to stabilize R_dm estimation. By leveraging group-mean statistics, GNDM establishes a more robust and effective optimization direction. (2) Seamless Reward Integration: Our reward-centric formulation inherently supports adaptive weighting mechanisms, allowing for the fluid combination of DMD with external reward models. (3) Improved Sampling Efficiency: By aligning with RL principles, the framework readily incorporates Importance Sampling (IS), leading to a significant boost in sampling efficiency. Extensive experiments demonstrate that GNDM outperforms vanilla DMD, reducing the FID by 1.87. Furthermore, our multi-reward variant, GNDMR, surpasses existing baselines by striking an optimal balance between aesthetic quality and fidelity, achieving a peak HPS of 30.37 and a low FID-SD of 12.21. Ultimately, R_dm provides a flexible, stable, and efficient framework for real-time, high-fidelity synthesis. Codes are coming soon.

  • 5 authors
·
Mar 30

Group Distributionally Robust Optimization-Driven Reinforcement Learning for LLM Reasoning

Recent progress in Large Language Model (LLM) reasoning is increasingly driven by the refinement of post-training loss functions and alignment strategies. However, standard Reinforcement Learning (RL) paradigms like Group Relative Policy Optimization (GRPO) remain constrained by static uniformity: uniform prompt sampling and a fixed number of rollouts per prompt. For heterogeneous, heavy-tailed reasoning data, this creates structural inefficiencies that waste compute on already-solved patterns while under-training the long tail of hard problems. To address this, we propose Multi-Adversary Group Distributionally Robust Optimization (GDRO), an optimization-first framework that moves beyond uniform reasoning models by dynamically adapting the training distribution. We introduce an Online Difficulty Classifier that partitions prompts into dynamic pass@k difficulty groups. We then propose two independent GDRO games for post-training: (1) Prompt-GDRO, which employs an EMA-debiased multiplicative-weights bandit sampler to target the intensive difficulty margin and upweight persistently hard groups without frequency bias; and (2) Rollout-GDRO, which uses a shadow-price controller to reallocate rollouts across groups, maximizing gradient variance reduction on hard tasks under a fixed mean budget (compute-neutral). We provide no-regret guarantees for both controllers and additionally a variance-proxy analysis motivating a square-root optimal rollout allocation for Rollout-GDRO. We validate our framework on the DAPO 14.1k dataset using Qwen3-Base models. Prompt-GDRO and Rollout-GDRO achieve average relative gains of +10.6% and +10.1%, respectively, in pass@8 accuracy across 1.7B, 4B, and 8B scales compared to the GRPO baseline. Qualitative analysis shows an emergent curriculum: the adversaries shift resources to the evolving reasoning frontier, enhancing the reasoning model's performance.

tencent Tencent
·
Jan 27 2

Pushing Biomolecular Utility-Diversity Frontiers with Supergroup Relative Policy Optimization

Biomolecular generators are often adapted with reward feedback to improve task-specific utility, but pushing utility alone can concentrate generation on a narrow family of candidates. Maintaining diversity is difficult because sample diversity is a set-level property. We introduce Supergroup Relative Policy Optimization (SGRPO), a flexible GRPO-style framework that directly constructs rewards from set-level diversity. For each condition, SGRPO samples a supergroup of candidate sets, compares their diversity under the same condition, and redistributes the group diversity reward to individual rollouts through leave-one-out diversity contributions before combining it with rollout-level utility. This design decouples SGRPO from a particular generator, utility reward, or diversity metric, and allows instantiation with different GRPO-style approaches. We evaluate SGRPO on de novo small-molecule design, pocket-based small-molecule design, and de novo protein design, instantiating it with both GRPO and Coupled-GRPO across autoregressive and discrete diffusion generators. Across decoding sweeps, SGRPO expands the utility-diversity Pareto frontier and achieves the best frontier-level metrics relative to pretrained generators, GRPO, and memory-assisted GRPO when applicable. Our analyses further show that direct set-level diversity rewards remain effective with small groups and help preserve broader generation-distribution coverage during post-training. The code is available at https://github.com/IDEA-XL/SGRPO.

IDEA-XL IDEA-XL
·
May 8 1

GeometryZero: Improving Geometry Solving for LLM with Group Contrastive Policy Optimization

Recent advances in large language models (LLMs) have demonstrated remarkable capabilities across diverse domains, particularly in mathematical reasoning, amid which geometry problem solving remains a challenging area where auxiliary construction plays a enssential role. Existing approaches either achieve suboptimal performance or rely on massive LLMs (e.g., GPT-4o), incurring massive computational costs. We posit that reinforcement learning with verifiable reward (e.g., GRPO) offers a promising direction for training smaller models that effectively combine auxiliary construction with robust geometric reasoning. However, directly applying GRPO to geometric reasoning presents fundamental limitations due to its dependence on unconditional rewards, which leads to indiscriminate and counterproductive auxiliary constructions. To address these challenges, we propose Group Contrastive Policy Optimization (GCPO), a novel reinforcement learning framework featuring two key innovations: (1) Group Contrastive Masking, which adaptively provides positive or negative reward signals for auxiliary construction based on contextual utility, and a (2) length reward that promotes longer reasoning chains. Building on GCPO, we develop GeometryZero, a family of affordable-size geometric reasoning models that judiciously determine when to employ auxiliary construction. Our extensive empirical evaluation across popular geometric benchmarks (Geometry3K, MathVista) demonstrates that GeometryZero models consistently outperform baselines (e.g. GRPO), achieving an average improvement of 4.29% across all benchmarks.

  • 7 authors
·
Jun 8, 2025 2

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.

  • 4 authors
·
Oct 4, 2023

Harder Is Better: Boosting Mathematical Reasoning via Difficulty-Aware GRPO and Multi-Aspect Question Reformulation

Reinforcement Learning with Verifiable Rewards (RLVR) offers a robust mechanism for enhancing mathematical reasoning in large models. However, we identify a systematic lack of emphasis on more challenging questions in existing methods from both algorithmic and data perspectives, despite their importance for refining underdeveloped capabilities. Algorithmically, widely used Group Relative Policy Optimization (GRPO) suffers from an implicit imbalance where the magnitude of policy updates is lower for harder questions. Data-wise, augmentation approaches primarily rephrase questions to enhance diversity without systematically increasing intrinsic difficulty. To address these issues, we propose a two-dual MathForge framework to improve mathematical reasoning by targeting harder questions from both perspectives, which comprises a Difficulty-Aware Group Policy Optimization (DGPO) algorithm and a Multi-Aspect Question Reformulation (MQR) strategy. Specifically, DGPO first rectifies the implicit imbalance in GRPO via difficulty-balanced group advantage estimation, and further prioritizes harder questions by difficulty-aware question-level weighting. Meanwhile, MQR reformulates questions across multiple aspects to increase difficulty while maintaining the original gold answer. Overall, MathForge forms a synergistic loop: MQR expands the data frontier, and DGPO effectively learns from the augmented data. Extensive experiments show that MathForge significantly outperforms existing methods on various mathematical reasoning tasks. The code and augmented data are all available at https://github.com/AMAP-ML/MathForge.

GD-ML AMAP-ML
·
Jan 28 20

Spectral Subspace Clustering for Attributed Graphs

Subspace clustering seeks to identify subspaces that segment a set of n data points into k (k<<n) groups, which has emerged as a powerful tool for analyzing data from various domains, especially images and videos. Recently, several studies have demonstrated the great potential of subspace clustering models for partitioning vertices in attributed graphs, referred to as SCAG. However, these works either demand significant computational overhead for constructing the nxn self-expressive matrix, or fail to incorporate graph topology and attribute data into the subspace clustering framework effectively, and thus, compromise result quality. Motivated by this, this paper presents two effective and efficient algorithms, S2CAG and M-S2CAG, for SCAG computation. Particularly, S2CAG obtains superb performance through three major contributions. First, we formulate a new objective function for SCAG with a refined representation model for vertices and two non-trivial constraints. On top of that, an efficient linear-time optimization solver is developed based on our theoretically grounded problem transformation and well-thought-out adaptive strategy. We then conduct an in-depth analysis to disclose the theoretical connection of S2CAG to conductance minimization, which further inspires the design of M-S2CAG that maximizes the modularity. Our extensive experiments, comparing S2CAG and M-S2CAG against 17 competitors over 8 benchmark datasets, exhibit that our solutions outperform all baselines in terms of clustering quality measured against the ground truth while delivering high efficiency

  • 4 authors
·
Nov 17, 2024

DisCO: Reinforcing Large Reasoning Models with Discriminative Constrained Optimization

The recent success and openness of DeepSeek-R1 have brought widespread attention to Group Relative Policy Optimization (GRPO) as a reinforcement learning method for large reasoning models (LRMs). In this work, we analyze the GRPO objective under a binary reward setting and reveal an inherent limitation of question-level difficulty bias. We also identify a connection between GRPO and traditional discriminative methods in supervised learning. Motivated by these insights, we introduce a new Discriminative Constrained Optimization (DisCO) framework for reinforcing LRMs, grounded in the principle of discriminative learning. The main differences between DisCO and GRPO and its recent variants are: (1) it replaces the group relative objective with a discriminative objective defined by a scoring function; (2) it abandons clipping-based surrogates in favor of non-clipping RL surrogate objectives used as scoring functions; (3) it employs a simple yet effective constrained optimization approach to enforce the KL divergence constraint, ensuring stable training. As a result, DisCO offers notable advantages over GRPO and its variants: (i) it completely eliminates difficulty bias by adopting discriminative objectives; (ii) it addresses the entropy instability in GRPO and its variants through the use of non-clipping scoring functions and a constrained optimization approach; (iii) it allows the incorporation of advanced discriminative learning techniques to address data imbalance, where a significant number of questions have more negative than positive generated answers during training. Our experiments on enhancing the mathematical reasoning capabilities of SFT-finetuned models show that DisCO significantly outperforms GRPO and its improved variants such as DAPO, achieving average gains of 7\% over GRPO and 6\% over DAPO across six benchmark tasks for an 1.5B model.

  • 5 authors
·
May 18, 2025

Provably Data-driven Lagrangian Relaxation for Mixed Integer Linear Programming

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale Mixed Integer Linear Programming (MILP), particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of Data-driven Algorithm Design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of O(s^{1.5}/N) for the learned multipliers, where s is the number of coupling constraints and N is the sample size. Second, we provide a minimax lower-bound of Ω(s/N), proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that Stochastic Gradient Ascent (SGA) with averaging achieves the minimax optimal rate Θ(s/N). Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of Θ(s/N) and establishing a theoretical advantage over direct multiplier prediction.

  • 3 authors
·
May 24

Bridging Draft Policy Misalignment: Group Tree Optimization for Speculative Decoding

Speculative decoding accelerates large language model (LLM) inference by letting a lightweight draft model propose multiple tokens that the target model verifies in parallel. Yet existing training objectives optimize only a single greedy draft path, while decoding follows a tree policy that re-ranks and verifies multiple branches. This draft policy misalignment limits achievable speedups. We introduce Group Tree Optimization (GTO), which aligns training with the decoding-time tree policy through two components: (i) Draft Tree Reward, a sampling-free objective equal to the expected acceptance length of the draft tree under the target model, directly measuring decoding performance; (ii) Group-based Draft Policy Training, a stable optimization scheme that contrasts trees from the current and a frozen reference draft model, forming debiased group-standardized advantages and applying a PPO-style surrogate along the longest accepted sequence for robust updates. We further prove that increasing our Draft Tree Reward provably improves acceptance length and speedup. Across dialogue (MT-Bench), code (HumanEval), and math (GSM8K), and multiple LLMs (e.g., LLaMA-3.1-8B, LLaMA-3.3-70B, Vicuna-1.3-13B, DeepSeek-R1-Distill-LLaMA-8B, Qwen3-8B), GTO increases acceptance length by (7.4%) and yields an additional (7.7%) speedup over prior state-of-the-art EAGLE-3. By bridging draft policy misalignment, GTO offers a practical, general solution for efficient LLM inference. Code and draft models are available at https://github.com/hsj576/GTO.

  • 4 authors
·
Sep 26, 2025

Optimizing NOTEARS Objectives via Topological Swaps

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

  • 4 authors
·
May 26, 2023

M^4olGen: Multi-Agent, Multi-Stage Molecular Generation under Precise Multi-Property Constraints

Generating molecules that satisfy precise numeric constraints over multiple physicochemical properties is critical and challenging. Although large language models (LLMs) are expressive, they struggle with precise multi-objective control and numeric reasoning without external structure and feedback. We introduce M olGen, a fragment-level, retrieval-augmented, two-stage framework for molecule generation under multi-property constraints. Stage I : Prototype generation: a multi-agent reasoner performs retrieval-anchored, fragment-level edits to produce a candidate near the feasible region. Stage II : RL-based fine-grained optimization: a fragment-level optimizer trained with Group Relative Policy Optimization (GRPO) applies one- or multi-hop refinements to explicitly minimize the property errors toward our target while regulating edit complexity and deviation from the prototype. A large, automatically curated dataset with reasoning chains of fragment edits and measured property deltas underpins both stages, enabling deterministic, reproducible supervision and controllable multi-hop reasoning. Unlike prior work, our framework better reasons about molecules by leveraging fragments and supports controllable refinement toward numeric targets. Experiments on generation under two sets of property constraints (QED, LogP, Molecular Weight and HOMO, LUMO) show consistent gains in validity and precise satisfaction of multi-property targets, outperforming strong LLMs and graph-based algorithms.

On GRPO Collapse in Search-R1: The Lazy Likelihood-Displacement Death Spiral

Tool-integrated (TI) reinforcement learning (RL) enables large language models (LLMs) to perform multi-step reasoning by interacting with external tools such as search engines and retrievers. Group Relative Policy Optimization (GRPO), exemplified by the recent Search-R1, offers fast convergence and a value-free formulation that makes it appealing for this setting, yet consistently suffers from training collapse. We identify Lazy Likelihood Displacement (LLD), a systematic reduction or stagnation in the likelihood of both correct and incorrect responses, as the core mechanism driving this failure. LLD emerges early and triggers a self-reinforcing LLD Death Spiral, where declining likelihood leads to low-confidence responses, inflating gradients, and ultimately causing collapse. We empirically characterize this process across models on a Search-R1-style, search-integrated question answering task, revealing a consistent three-phase trajectory: early stagnation, steady decay, and accelerated collapse. To address this, we propose a lightweight likelihood-preserving regularization LLDS for GRPO that activates only when a trajectory's likelihood decreases, and regularizes only the tokens responsible. This fine-grained structure mitigates LLD with minimal interference to optimization. Across seven open-domain and multi-hop QA benchmarks, our method stabilizes training, prevents gradient explosion, and yields substantial performance improvements, including +37.8% gains on Qwen2.5-3B and +32.0% gains on Qwen2.5-7B. Our results establish LLD as a fundamental bottleneck in GRPO-based TIRL and provide a practical path toward stable, scalable training of tool-integrated LLM.

  • 6 authors
·
Dec 3, 2025 2

GDPO-SR: Group Direct Preference Optimization for One-Step Generative Image Super-Resolution

Recently, reinforcement learning (RL) has been employed for improving generative image super-resolution (ISR) performance. However, the current efforts are focused on multi-step generative ISR, while one-step generative ISR remains underexplored due to its limited stochasticity. In addition, RL methods such as Direct Preference Optimization (DPO) require the generation of positive and negative sample pairs offline, leading to a limited number of samples, while Group Relative Policy Optimization (GRPO) only calculates the likelihood of the entire image, ignoring local details that are crucial for ISR. In this paper, we propose Group Direct Preference Optimization (GDPO), a novel approach to integrate RL into one-step generative ISR model training. First, we introduce a noise-aware one-step diffusion model that can generate diverse ISR outputs. To prevent performance degradation caused by noise injection, we introduce an unequal-timestep strategy to decouple the timestep of noise addition from that of diffusion. We then present the GDPO strategy, which integrates the principle of GRPO into DPO, to calculate the group-relative advantage of each online generated sample for model optimization. Meanwhile, an attribute-aware reward function is designed to dynamically evaluate the score of each sample based on its statistics of smooth and texture areas. Experiments demonstrate the effectiveness of GDPO in enhancing the performance of one-step generative ISR models. Code: https://github.com/Joyies/GDPO.

  • 6 authors
·
Mar 16

NGRPO: Negative-enhanced Group Relative Policy Optimization

RLVR has enhanced the reasoning capabilities of Large Language Models (LLMs) across various tasks. However, GRPO, a representative RLVR algorithm, suffers from a critical limitation: when all responses within a group are either entirely correct or entirely incorrect, the model fails to learn from these homogeneous responses. This is particularly problematic for homogeneously incorrect groups, where GRPO's advantage function yields a value of zero, leading to null gradients and the loss of valuable learning signals. To overcome this issue, we propose NGRPO (Negative-enhanced Group Relative Policy Optimization), an algorithm designed to convert homogeneous errors into robust learning signals. First, NGRPO introduces Advantage Calibration. This mechanism hypothesizes the existence of a virtual maximum-reward sample during advantage calculation, thereby altering the mean and variance of rewards within a group and ensuring that the advantages for homogeneously incorrect samples are no longer zero. Second, NGRPO employs Asymmetric Clipping, which relaxes the update magnitude for positive samples while imposing stricter constraints on that of negative samples. This serves to stabilize the exploration pressure introduced by the advantage calibration. Our experiments on Qwen2.5-Math-7B demonstrate that NGRPO significantly outperforms baselines such as PPO, GRPO, DAPO, and PSR-NSR on mathematical benchmarks including MATH500, AMC23, and AIME2025. These results validate NGRPO's ability to learn from homogeneous errors, leading to stable and substantial improvements in mathematical reasoning. Our code is available at https://github.com/nangongrui-ngr/NGRPO.

  • 11 authors
·
Sep 23, 2025

MMR1: Enhancing Multimodal Reasoning with Variance-Aware Sampling and Open Resources

Large multimodal reasoning models have achieved rapid progress, but their advancement is constrained by two major limitations: the absence of open, large-scale, high-quality long chain-of-thought (CoT) data, and the instability of reinforcement learning (RL) algorithms in post-training. Group Relative Policy Optimization (GRPO), the standard framework for RL fine-tuning, is prone to gradient vanishing when reward variance is low, which weakens optimization signals and impairs convergence. This work makes three contributions: (1) We propose Variance-Aware Sampling (VAS), a data selection strategy guided by Variance Promotion Score (VPS) that combines outcome variance and trajectory diversity to promote reward variance and stabilize policy optimization. (2) We release large-scale, carefully curated resources containing ~1.6M long CoT cold-start data and ~15k RL QA pairs, designed to ensure quality, difficulty, and diversity, along with a fully reproducible end-to-end training codebase. (3) We open-source a family of multimodal reasoning models in multiple scales, establishing standardized baselines for the community. Experiments across mathematical reasoning benchmarks demonstrate the effectiveness of both the curated data and the proposed VAS. Comprehensive ablation studies and analyses provide further insight into the contributions of each component. In addition, we theoretically establish that reward variance lower-bounds the expected policy gradient magnitude, with VAS serving as a practical mechanism to realize this guarantee. Our code, data, and checkpoints are available at https://github.com/LengSicong/MMR1.

MMR1 MMR1
·
Sep 25, 2025 3

DVAO: Dynamic Variance-adaptive Advantage Optimization for Multi-reward Reinforcement Learning

Reinforcement Learning has become a standard paradigm for aligning Large Language Models with human intent and task requirements. While Group Relative Policy Optimization offers an efficient, value-model-free alternative to Proximal Policy Optimization, adapting it to real-world multi-reward settings remains challenging. Standard scalarization practices, such as Reward Combination and Advantage Combination, suffer from significant drawbacks: Reward Combination frequently generates advantages with excessively large squared magnitudes that lead to training instability, while Advantage Combination relies on static hyperparameters and ignores cross-objective correlations. To address these limitations, we propose Dynamic Variance-adaptive Advantage Optimization (DVAO), which dynamically adjusts combination weights based on the empirical reward variance of each objective within a rollout group, effectively up-weighting objectives with a stronger learning signal while suppressing noisy ones. We mathematically prove that DVAO maintains bounded advantage magnitudes for stable training and introduces a self-adaptive cross-objective regularization mechanism. Extensive experiments on mathematical reasoning and tool-use benchmarks using Qwen3 and Qwen2.5 models demonstrate that DVAO significantly outperforms baseline methods, achieving a superior multi-objective Pareto frontier and robust training stability.

  • 6 authors
·
May 24 4

Voronoi-Elitism Genetic Algorithm: A Generic Derivative-Free Routine With Theory and Implementation for Statistical Optimization

In this paper, we propose a generic optimization approach for challenging objective functions that finds applications in various statistical problems. We focus on objective functions with two parameter blocks of one amenable to analytic optimization, and another that is irregular or computationally expensive. To address this setting, we propose the Voronoi-Elitism Genetic Algorithm (VEGA), a derivative-free optimization method that embeds geometric information into genetic search. The proposed algorithm retains elite candidates and constructs Voronoi-based neighborhoods around them, whose crossover and self-adaptive mutation balance exploitation of promising solutions with exploration of under-covered regions. We study the high dimensional behavior of genetic search by analyzing distance concentration, and the effects of population size and shrinking mutation, which shows that the algorithm improves spatial coverage and yields sharper distance bounds under limited computational budgets. Simulation studies are conducted to compare VEGA with two genetic-type algorithms competitors in finite samples. A real data application on Stack Exchange activity data further illustrates its ability to identify stable structural changes, implying the algorithm is computationally flexible for high-dimensional, derivative-free optimization and applicable for various statistical problems.

  • 3 authors
·
May 30

R-ConstraintBench: Evaluating LLMs on NP-Complete Scheduling

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

  • 2 authors
·
Aug 20, 2025

ETR: Outcome-Guided Elastic Trust Regions for Policy Optimization

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as an important paradigm for unlocking reasoning capabilities in large language models, exemplified by the success of OpenAI o1 and DeepSeek-R1. Currently, Group Relative Policy Optimization (GRPO) stands as the dominant algorithm in this domain due to its stable training and critic-free efficiency. However, we argue that GRPO suffers from a structural limitation: it imposes a uniform, static trust region constraint across all samples. This design implicitly assumes signal homogeneity, a premise misaligned with the heterogeneous nature of outcome-driven learning, where advantage magnitudes and variances fluctuate significantly. Consequently, static constraints fail to fully exploit high-quality signals while insufficiently suppressing noise, often precipitating rapid entropy collapse. To address this, we propose Elastic Trust Regions (ETR), a dynamic mechanism that aligns optimization constraints with signal quality. ETR constructs a signal-aware landscape through dual-level elasticity: at the micro level, it scales clipping boundaries based on advantage magnitude to accelerate learning from high-confidence paths; at the macro level, it leverages group variance to implicitly allocate larger update budgets to tasks in the optimal learning zone. Extensive experiments on AIME and MATH benchmarks demonstrate that ETR consistently outperforms GRPO, achieving superior accuracy while effectively mitigating policy entropy degradation to ensure sustained exploration.

  • 8 authors
·
Jan 7

Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

  • 5 authors
·
Oct 4, 2023

Reinforcement Learning for Reasoning in Small LLMs: What Works and What Doesn't

Enhancing the reasoning capabilities of large language models (LLMs) typically relies on massive computational resources and extensive datasets, limiting accessibility for resource-constrained settings. Our study investigates the potential of reinforcement learning (RL) to improve reasoning in small LLMs, focusing on a 1.5-billion-parameter model, DeepSeek-R1-Distill-Qwen-1.5B, under strict constraints: training on 4 NVIDIA A40 GPUs (48 GB VRAM each) within 24 hours. Adapting the Group Relative Policy Optimization (GRPO) algorithm and curating a compact, high-quality mathematical reasoning dataset, we conducted three experiments to explore model behavior and performance. Our results demonstrate rapid reasoning gains - e.g., AMC23 accuracy rising from 63% to 80% and AIME24 reaching 46.7%, surpassing o1-preview - using only 7,000 samples and a $42 training cost, compared to thousands of dollars for baseline models. However, challenges such as optimization instability and length constraints emerged with prolonged training. These findings highlight the efficacy of RL-based fine-tuning for small LLMs, offering a cost-effective alternative to large-scale approaches. We release our code and datasets as open-source resources, providing insights into trade-offs and laying a foundation for scalable, reasoning-capable LLMs in resource-limited environments. All are available at https://github.com/knoveleng/open-rs.

knoveleng Knovel Engineering
·
Mar 20, 2025 23

GD^2PO: Mitigating Multi-Reward Conflicts via Group-Dynamic reward-Decoupled Policy Optimization

As LLMs advance, post-training reinforcement learning (RL) increasingly relies on multi-dimensional rewards to cultivate comprehensive capabilities. This shift demands new algorithms capable of optimizing diverse and potentially competing objectives simultaneously. To address this, existing methods such as Group reward-Decoupled Policy Optimization (GDPO) decompose the overall score into independent reward groups, then compute the RL loss separately within each group. However, this strategy still encounters multi-reward conflicts: a single rollout can yield positive advantages on certain reward dimensions but negative ones on others, causing opposing signals to cancel each other out during aggregation, further hindering RL training efficiency. Inspired by Dynamic sAmpling Policy Optimization (DAPO), which improves RL training efficiency by filtering out ineffective rollouts with near-zero advantages, we propose Group-Dynamic reward-Decoupled Policy Optimization (GD^2PO). Specifically, GD^2PO employs a conflict-aware filtering mechanism to mask out rollouts suffering from severe reward-wise disagreement. By preventing conflicting signals from canceling each other out, this masking strategy preserves and enhances the magnitude of effective RL advantages, thereby significantly accelerating learning efficiency. Furthermore, we introduce query-level reweighting to dynamically adjust the update intensity of each query based on its overall reward consensus. Experiments on various multi-reward scenarios, including tool calling and human preference alignment, demonstrate that GD^2PO consistently and significantly outperforms existing baselines. The code is available at https://github.com/Qwen-Applications/GD2PO.

  • 14 authors
·
Jun 14 1

OpenVLThinkerV2: A Generalist Multimodal Reasoning Model for Multi-domain Visual Tasks

Group Relative Policy Optimization (GRPO) has emerged as the de facto Reinforcement Learning (RL) objective driving recent advancements in Multimodal Large Language Models. However, extending this success to open-source multimodal generalist models remains heavily constrained by two primary challenges: the extreme variance in reward topologies across diverse visual tasks, and the inherent difficulty of balancing fine-grained perception with multi-step reasoning capabilities. To address these issues, we introduce Gaussian GRPO (G^2RPO), a novel RL training objective that replaces standard linear scaling with non-linear distributional matching. By mathematically forcing the advantage distribution of any given task to strictly converge to a standard normal distribution, N(0,1), G^2RPO theoretically ensures inter-task gradient equity, mitigates vulnerabilities to heavy-tail outliers, and offers symmetric update for positive and negative rewards. Leveraging the enhanced training stability provided by G^2RPO, we introduce two task-level shaping mechanisms to seamlessly balance perception and reasoning. First, response length shaping dynamically elicits extended reasoning chains for complex queries while enforce direct outputs to bolster visual grounding. Second, entropy shaping tightly bounds the model's exploration zone, effectively preventing both entropy collapse and entropy explosion. Integrating these methodologies, we present OpenVLThinkerV2, a highly robust, general-purpose multimodal model. Extensive evaluations across 18 diverse benchmarks demonstrate its superior performance over strong open-source and leading proprietary frontier models.

uclanlp UCLA NLP
·
Apr 8 2

Enhancing Group Fairness in Online Settings Using Oblique Decision Forests

Fairness, especially group fairness, is an important consideration in the context of machine learning systems. The most commonly adopted group fairness-enhancing techniques are in-processing methods that rely on a mixture of a fairness objective (e.g., demographic parity) and a task-specific objective (e.g., cross-entropy) during the training process. However, when data arrives in an online fashion -- one instance at a time -- optimizing such fairness objectives poses several challenges. In particular, group fairness objectives are defined using expectations of predictions across different demographic groups. In the online setting, where the algorithm has access to a single instance at a time, estimating the group fairness objective requires additional storage and significantly more computation (e.g., forward/backward passes) than the task-specific objective at every time step. In this paper, we propose Aranyani, an ensemble of oblique decision trees, to make fair decisions in online settings. The hierarchical tree structure of Aranyani enables parameter isolation and allows us to efficiently compute the fairness gradients using aggregate statistics of previous decisions, eliminating the need for additional storage and forward/backward passes. We also present an efficient framework to train Aranyani and theoretically analyze several of its properties. We conduct empirical evaluations on 5 publicly available benchmarks (including vision and language datasets) to show that Aranyani achieves a better accuracy-fairness trade-off compared to baseline approaches.

  • 7 authors
·
Oct 17, 2023

RL-Index: Reinforcement Learning for Retrieval Index Reasoning

Retrieving external knowledge is essential for solving real-world tasks, yet it remains challenging when the relationship between a query and its relevant knowledge involves implicit and complex reasoning beyond surface-level semantic or lexical matching (e.g., mathematical problems relying on the same theorem or coding requiring deep reasoning). Existing approaches primarily rely on query-side reasoning (e.g., query rewriting), which introduces significant online latency and underutilizes the opportunity to perform reasoning over the knowledge corpus itself (i.e., index-side reasoning). In this paper, we propose RL-Index, an agentic indexing framework that formulates retrieval index reasoning as a reinforcement learning problem. Instead of performing reasoning at query time, RL-Index shifts reasoning to the indexing stage by augmenting documents with LLM-generated rationales that explicitly encode the latent query-knowledge relationship. To optimize the quality of these rationales, we employ Group Relative Policy Optimization (GRPO) and use retrieval similarity as a verifiable reward signal, enabling direct optimization of indexing decisions for retrieval effectiveness. Extensive experiments on the BRIGHT benchmark demonstrate that RL-Index consistently improves both retrieval and downstream question-answering performance, while significantly reducing online inference latency. Moreover, the learned rationale augmentation generalizes across diverse retrievers and generators, highlighting its robustness as a plug-and-play indexing strategy across different retrieval systems.

  • 8 authors
·
Jun 14 2

SAFE: Stable Alignment Finetuning with Entropy-Aware Predictive Control for RLHF

Optimization (PPO) has been positioned by recent literature as the canonical method for the RL part of RLHF. PPO performs well empirically but has a heuristic motivation and handles the KL-divergence constraint used in LM-RLHF in an ad-hoc manner and suffers form reward oscillations, entropy collapse, value function drift, and sudden policy divergence that require frequent restarts and extensive hyperparameter tuning. In this paper, we develop a new pure on policy actor-critic RL method for the LM-RLHF setting. We present SAFE (Stable Alignment Finetuning with Entropy-aware control),a novel RLHF algorithm that combines a Double Soft-Min Critic for pessimistic value estimation with a new multi-layer stabilization framework combining entropy-gated KL regulation, and PID-controlled adaptive thresholds. Unlike standard PPO's symmetric KL penalties, SAFE distinguishes high-entropy exploration from low-entropy mode collapse and adjusts penalties dynamically based on reward velocity. Experiments on a 3B parameter model show SAFE achieves +5.15\% training-average reward than PPO (0.725 vs 0.689), negligible reward crashes, and superior KL control than ppo . Our method adds minimal computational overhead and provides an interpretable, crash-resistant RLHF framework that maintains aggressive learning speed while ensuring stable long-horizon optimization suitable for production deployment. Code is available at https://github.com/ryyzn9/SAFE

  • 1 authors
·
Feb 4 3

Single-stream Policy Optimization

We revisit policy-gradient optimization for Large Language Models (LLMs) from a single-stream perspective. Prevailing group-based methods like GRPO reduce variance with on-the-fly baselines but suffer from critical flaws: frequent degenerate groups erase learning signals, and synchronization barriers hinder scalability. We introduce Single-stream Policy Optimization (SPO), which eliminates these issues by design. SPO replaces per-group baselines with a persistent, KL-adaptive value tracker and normalizes advantages globally across the batch, providing a stable, low-variance learning signal for every sample. Being group-free, SPO enables higher throughput and scales effectively in long-horizon or tool-integrated settings where generation times vary. Furthermore, the persistent value tracker naturally enables an adaptive curriculum via prioritized sampling. Experiments using Qwen3-8B show that SPO converges more smoothly and attains higher accuracy than GRPO, while eliminating computation wasted on degenerate groups. Ablation studies confirm that SPO's gains stem from its principled approach to baseline estimation and advantage normalization, offering a more robust and efficient path for LLM reasoning. Across five hard math benchmarks with Qwen3 8B, SPO improves the average maj@32 by +3.4 percentage points (pp) over GRPO, driven by substantial absolute point gains on challenging datasets, including +7.3 pp on BRUMO 25, +4.4 pp on AIME 25, +3.3 pp on HMMT 25, and achieves consistent relative gain in pass@k across the evaluated k values. SPO's success challenges the prevailing trend of adding incidental complexity to RL algorithms, highlighting a path where fundamental principles, not architectural workarounds, drive the next wave of progress in LLM reasoning.

tencent Tencent
·
Sep 16, 2025 3