Machine Learning · Cross-listed from cs.AI
Mitigating Distribution Sharpening in Math RLVR via Distribution-Aligned Hint Synthesis and Backward Hint Annealing
Pei-Xi Xie, Che-Yu Lin and Cheng-Lin Yang
In reinforcement learning with verifiable rewards (RLVR), challenging math questions whose sampled groups remain uniformly incorrect yield no informative update, letting easier questions dominate actor updates. This imbalance can contribute to distribution sharpening: low-$k$ accuracy improves while problem coverage contracts. Hint scaffolding can restore informative updates by revealing a prefix of a verified teacher solution. However, existing hint-based approaches still face two issues: teacher–student distribution mismatch and the need to reduce hint exposure to match no-hint evaluation. We address these issues through two components. Distribution-Aligned Hint Synthesis (DAHS) constructs verified teacher hints conditioned on student-style responses. Backward Hint Annealing (BHA) anneals hint exposure across length buckets as bucket accuracy improves. BHA also uses per-question hint dropout to keep no-hint rollouts throughout RL training. Under the DAPO training framework, our method improves both pass@1 and pass@2048 over DAPO on AIME24/25/26 for Qwen3-1.7B-Base and Qwen3-4B-Base, and improves pass@1 on five secondary math
benchmarks (Olympiad, MATH500, Minerva Math, AMC23, and GSM8K). On Llama-3.2-1B-Instruct, the gains concentrate in the high-$k$ regime without recovering the base model's coverage. Overall, when verified teacher prefixes are available, DAHS+BHA mitigates DAPO-induced contraction of high-$k$ problem coverage in the evaluated challenging-math RLVR settings.
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Machine Learning
Towards Rapid Constitutive Model Discovery from Multi-Modal Data: Physics Augmented Finite Element Model Updating (paFEMU)
Jingye Tan, Govinda Anantha Padmanabha, Steven J. Yang et al. (+1 more)
Recent progress in AI-enabled constitutive modeling has concentrated on moving from a purely data-driven paradigm to the enforcement of physical constraints and mechanistic principles, a concept referred to as physics augmentation. Classical phenomenological approaches rely on selecting a pre-defined model and calibrating its parameters, while machine learning methods often focus on discovery of the model itself. Sparse regression approaches lie in between, where large libraries of pre-defined models are probed during calibration. Sparsification in the aforementioned paradigm, but also in the context of neural network architecture, has been shown to enable interpretability, uncertainty quantification, but also heterogeneous software integration due to the low-dimensional nature of the resulting models. Most works in AI-enabled constitutive modeling have also focused on data from a single source, but in reality, materials modeling workflows can contain data from many different sources (multi-modal data), and also from testing other materials within the same materials class (multi-fidelity data). In this work, we introduce physics augmented finite element model updating (paFEMU), as a transfer learning approach that combines AI-enabled constitutive modeling, sparsification for interpretable model discovery, and finite element-based adjoint optimization utilizing multi-modal data. This is achieved by combining simple mechanical testing data, potentially from a distinct material, with digital image correlation-type full-field data acquisition to ultimately enable rapid constitutive modeling discovery. The simplicity of the sparse representation enables easy integration of neural constitutive models in existing finite element workflows, and also enables low-dimensional updating during transfer learning.
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All authors Jingye Tan, Govinda Anantha Padmanabha, Steven J. Yang, Nikolaos Bouklas
Machine Learning · Cross-listed from stat.ML
The Condition-Number Principle for Prototype Clustering
Romano Li and Jianfei Cao
We develop a
geometric framework that links objective accuracy to structural recovery in prototype-based clustering. The analysis is
algorithm-agnostic and applies to a broad class of admissible loss functions. We define a clustering condition number that compares within-cluster scale to the minimum loss increase required to move a point across a cluster boundary. When this quantity is small, any solution with a small suboptimality gap must also have a small misclassification error relative to a
benchmark partition. The framework also clarifies a fundamental trade-off between robustness and sensitivity to cluster imbalance, leading to sharp phase transitions for exact recovery under different objectives. The guarantees are deterministic and non-asymptotic, and they separate the role of algorithmic accuracy from the intrinsic
geometric difficulty of the instance. We further show that errors concentrate near cluster boundaries and that sufficiently deep cluster cores are recovered exactly under strengthened local margins. Together, these results provide a
geometric principle for interpreting low objective values as reliable evidence of meaningful clustering structure.
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Machine Learning · Cross-listed from cs.IR
Efficient Dataset Selection for Continual Adaptation of Generative Recommenders
Cathy Jiao, Juan Elenter, Praveen Ravichandran et al. (+7 more)
Recommendation systems must continuously adapt to evolving user behavior, yet the volume of data generated in large-scale streaming environments makes frequent full retraining impractical. This work investigates how targeted data selection can mitigate performance degradation caused by temporal distributional drift while maintaining scalability. We evaluate a range of representation choices and sampling strategies for curating small but informative subsets of user interaction data. Our results demonstrate that gradient-based representations, coupled with distribution-matching, improve downstream model performance, achieving training efficiency gains while preserving robustness to drift. These findings highlight data curation as a practical mechanism for scalable monitoring and adaptive model updates in production-scale recommendation systems.
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All authors Cathy Jiao, Juan Elenter, Praveen Ravichandran, Bernd Huber, Joseph Cauteruccio, Todd Wasson, Timothy Heath, Chenyan Xiong, Mounia Lalmas, Paul Bennett
Machine Learning · Cross-listed from cs.CV
Needle in a Haystack: One-Class Representation Learning for Detecting Rare Malignant Cells in Computational Cytology
Swarnadip Chatterjee, Vladimir Basic, Arrigo Capitanio et al. (+2 more)
In computational cytology, detecting malignancy on whole-slide images is difficult because malignant
cells are morphologically diverse yet vanishingly rare amid a vast background of normal
cells. Accurate detection of these extremely rare malignant
cells remains challenging due to large class imbalance and limited annotations. Conventional weakly supervised approaches, such as multiple instance learning (MIL), often fail to generalize at the instance level, especially when the fraction of malignant
cells (witness rate) is exceedingly low. In this study, we explore the use of one-class representation learning techniques for detecting malignant
cells in low-witness-rate scenarios. These methods are trained exclusively on slide-negative patches, without requiring any instance-level supervision. Specifically, we evaluate two OCC approaches, DSVDD and DROC, and compare them with FS-SIL, WS-SIL, and the recent ItS2CLR method. The one-class methods learn compact representations of normality and detect deviations at test time. Experiments on a publicly available bone marrow cytomorphology
dataset (TCIA) and an in-house oral cancer cytology
dataset show that DSVDD achieves state-of-the-art performance in instance-level abnormality ranking, particularly in ultra-low witness-rate regimes ($\leq 1\%$) and, in some cases, even outperforming fully supervised learning, which is typically not a practical option in whole-slide cytology due to the infeasibility of exhaustive instance-level annotations. DROC is also competitive under extreme rarity, benefiting from distribution-augmented contrastive learning. These findings highlight one-class representation learning as a robust and interpretable superior choice to MIL for malignant
cell detection under extreme rarity.
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All authors Swarnadip Chatterjee, Vladimir Basic, Arrigo Capitanio, Orcun Goksel, Joakim Lindblad
Machine Learning
Breaking the KV Cache Bottleneck: Fan Duality Model Achieves O(1) Decode Memory with Superior Associative Recall
Yasong Fan
We present FDM (Fan Duality Model), a linear sequence architecture that resolves the fundamental tension between
memory efficiency and associative recall in sequence modeling. FDM separates sequence processing into two components: a wave component (recurrent scan via phase-preserving Givens rotations) that compresses long-range patterns into a fixed-size complex hidden state, and a particle component (local-global cache) that retrieves specific
tokens via learned associative addressing with W+K=272 slots independent of sequence length N. This yields strictly O(1) decode
memory: 867 MB fixed across all
prompt lengths 128-8,192
tokens, versus
Transformer's 853-4,247 MB (4.9x reduction at N=8,192). Beyond the architecture, we discover that jointly training the wave and particle components leads to suboptimal convergence. We propose Freeze-Scan, a two-phase training strategy that freezes the recurrent scan and optimizes the cache jointly with
embeddings, achieving PPL=64.9 on WikiText-103 in 44K steps – a 7.5x improvement over full fine-tuning (PPL=487). On Multi-Query Associative Recall (MQAR), FDM achieves 0.966 accuracy, surpassing
Transformer (0.606) by 59.5%, while pure scan without cache scores only 0.011, confirming the necessity of the particle component. Finally, we introduce
Holographic Reference Beam Decoding, interpreting the complex hidden state h_t as a
holographic plate encoding the entire temporal history. Using the current input x_t as a reference beam to modulate h_t reduces PPL by up to 2.13 points (PPL=62.79) with a 4-head orthogonal reference beam using only 1.3M additional parameters, providing empirical support for the
holographic interpretation. Code and pretrained weights: https://github.com/YasongFan/FDM
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Machine Learning
Mathematical analysis of one-layer neural network with fixed biases, a new activation function and other observations
Fabricio Macià and Shu Nakamura
We analyze a simple one-hidden-layer neural network with ReLU activation functions and fixed biases, with one-dimensional input and output. We study both continuous and discrete versions of the model, and we rigorously prove the convergence of the learning process with the $L^2$ squared loss function and the gradient descent procedure. We also prove the spectral bias property for this learning process. Several conclusions of this analysis are discussed; in particular, regarding the structure and properties that activation functions should possess, as well as the relationships between the spectrum of certain operators and the learning process. Based on this, we also propose an alternative activation function, the full-wave rectified exponential function (FReX), and we discuss the convergence of the gradient descent with this alternative activation function.
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Machine Learning
CausalVAE as a Plug-in for World Models: Towards Reliable Counterfactual Dynamics
Ziyi Ding, Xianxin Lai, Weiyu Chen et al. (+2 more)
In this work, CausalVAE is introduced as a plug-in structural module for latent world models and is attached to diverse encoder-transition backbones. Across the reported
benchmarks, competitive factual prediction is preserved and intervention-aware counterfactual
retrieval is improved after the plug-in is added, suggesting stronger robustness under distribution shift and interventions. The largest gains are observed on the Physics
benchmark: when averaged over 8 paired baselines, CF-H@1 is improved by +102.5%. In a representative GNN-NLL setting on Physics, CF-H@1 is increased from 11.0 to 41.0 (+272.7%). Through causal analysis, learned structural dependencies are shown to recover meaningful first-order physical interaction trends, supporting the interpretability of the learned latent causal structure.
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All authors Ziyi Ding, Xianxin Lai, Weiyu Chen, Xiao-Ping Zhang, Jiayu Chen
Machine Learning · Cross-listed from cs.AI
IatroBench: A Pre-Registered Benchmark of Clinical Omission in Language Models
David Gringras
We introduce IatroBench, a
benchmark with two axes of harm (commission and omission), comprising 60 pre-registered clinical scenarios, tested on 6 models. Matched scenarios are framed as a patient query and a doctor consultation, differing in register and request (with the implication of supervision by a treating physician in the latter). We analyse the responses of five different models and find that all share more information in the doctor framing than the patient framing (which we call "framing-contingent withholding"). For example, a model with strong safety training provides a benzodiazepine tapering schedule to a doctor, but does not provide this schedule to a patient who requests it. We use Claude Opus 4.6 for structured evaluation, and Gemini 3 Flash as our primary judge, to score model responses against a physician's rubrics. Our primary judge agrees with physicians' omission scores about as well as physicians agree with each other. We find a decoupling gap of +0.38 (p = 0.003) on average across models. With our primary judge (checked by physicians) the decoupling gap is +0.22 (95% CI 0.10-0.36, p = 0.0014). We find three distinct patterns underlying this gap, exemplified by each of the models below. In the doctor framing, Claude Opus demonstrates that it has the information, and withholds it in the patient framing. Llama 4 performs poorly in both framings, meaning the decoupling gap cannot distinguish between withholding and incompetence. Finally, GPT-5.2 (excluded from this analysis) failed to return text for 33.2% of doctor responses, compared to 0% of layperson responses. In 86.6% of cases that we score (through our structured evaluation) as having omission harms, our primary judge (Gemini 3 Flash) scores zero omission harm. Because our scenarios are designed to pit safety against helpfulness, these statistics hold only for this distribution.
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Machine Learning
Tree-of-Evidence: Efficient "System 2" Search for Faithful Multimodal Grounding
Micky C. Nnamdi, Benoit L. Marteau, Yishan Zhong et al. (+2 more)
Large
Multimodal Models (LMMs) achieve state-of-the-art performance in high-stakes domains like healthcare, yet their
reasoning remains opaque. Current interpretability methods, such as
attention mechanisms or post-hoc saliency, often fail to faithfully represent the model's decision-making process, particularly when integrating heterogeneous modalities like time-series and text. We introduce Tree-of-Evidence (ToE), an inference-time search
algorithm that frames interpretability as a discrete optimization problem. Rather than relying on soft
attention weights, ToE employs lightweight Evidence Bottlenecks that score coarse groups or units of data (e.g., vital-sign windows, report sentences) and performs a beam search to identify the compact evidence set required to reproduce the model's prediction. We evaluate ToE across six tasks spanning three
datasets and two domains: four clinical prediction tasks on MIMIC-IV, cross-center validation on eICU, and non-clinical fault detection on LEMMA-RCA. ToE produces auditable evidence traces while maintaining predictive performance, retaining over 0.98 of full-model AUROC with as few as five evidence units across all settings. Under sparse evidence budgets, ToE achieves higher decision agreement and lower probability fidelity error than other approaches. Qualitative analyses show that ToE adapts its search strategy: it often resolves straightforward cases using only vitals, while selectively incorporating text when physiological signals are ambiguous. ToE therefore provides a practical mechanism for
auditing multimodal models by revealing which discrete evidence units support each prediction.
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All authors Micky C. Nnamdi, Benoit L. Marteau, Yishan Zhong, J. Ben Tamo, May D. Wang
Machine Learning
Joint Task Offloading, Inference Optimization and UAV Trajectory Planning for Generative AI Empowered Intelligent Transportation Digital Twin
Xiaohuan Li, Junchuan Fan, Bingqi Zhang et al. (+3 more)
To implement the intelligent transportation digital twin (ITDT), unmanned aerial vehicles (
UAVs) are scheduled to process the sensing data from the roadside sensors. At this time, generative artificial intelligence (GAI) technologies such as
diffusion models are deployed on the
UAVs to transform the raw sensing data into the high-quality and valuable. Therefore, we propose the GAI-empowered ITDT. The dynamic processing of a set of
diffusion model inference (DMI) tasks on the
UAVs with dynamic mobility simultaneously influences the DT updating fidelity and delay. In this paper, we investigate a joint optimization problem of DMI task offloading, inference optimization and
UAV trajectory planning as the system utility maximization (SUM) problem to address the fidelity-delay tradeoff for the GAI-empowered ITDT. To seek a solution to the problem under the network dynamics, we model the SUM problem as the heterogeneous-
agent Markov decision process, and propose the sequential update-based heterogeneous-
agent twin delayed deep deterministic policy gradient (SU-HATD3)
algorithm, which can quickly learn a near-optimal solution. Numerical results demonstrate that compared with several baseline
algorithms, the proposed
algorithm has great advantages in improving the system utility and convergence rate.
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All authors Xiaohuan Li, Junchuan Fan, Bingqi Zhang, Rong Yu, Xumin Huang, Qian Chen
Machine Learning
Tensor-based computation of the Koopman generator via operator logarithm
Tatsuya Kishimoto and Jun Ohkubo
Identifying governing equations of nonlinear dynamical systems from data is challenging. While sparse identification of nonlinear dynamics (SINDy) and its extensions are widely used for system identification, operator-logarithm approaches use the logarithm to avoid time differentiation, enabling larger sampling intervals. However, they still suffer from the curse of dimensionality. Then, we propose a data-driven method to compute the Koopman generator in a low-rank tensor train (TT) format by taking logarithms of Koopman
eigenvalues while preserving the TT format. Experiments on 4-dimensional Lotka-Volterra and 10-dimensional Lorenz-96 systems show accurate recovery of vector field coefficients and scalability to higher-dimensional systems.
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Machine Learning · Cross-listed from cs.SE
Towards Counterfactual Explanation and Assertion Inference for CPS Debugging
Zaid Ghazal, Hadiza Yusuf and Khouloud Gaaloul
Verification and validation of cyber-physical systems (CPS) via large-scale simulation often surface failures that are hard to interpret, especially when triggered by interactions between continuous and discrete behaviors at specific events or times. Existing debugging techniques can localize anomalies to specific model components, but they provide little insight into the input-signal values and timing conditions that trigger violations, or the minimal, precisely timed changes that could have prevented the failure. In this article, we introduce DeCaF, a counterfactual-guided explanation and assertion-based characterization framework for CPS debugging. Given a failing test input, DeCaF generates counterfactual changes to the input signals that transform the test from failing to passing. These changes are designed to be minimal, necessary, and sufficient to precisely restore correctness. Then, it infers assertions as logical predicates over inputs that generalize recovery conditions in an interpretable form engineers can reason about, without requiring access to internal model details. Our approach combines three counterfactual generators with two causal models, and infers success assertions. Across three CPS case studies, DeCaF achieves its best success rate with KD-Tree Nearest Neighbors combined with M5 model tree, while Genetic
Algorithm combined with Random Forest provides the strongest balance between success and causal precision.
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Machine Learning · Cross-listed from stat.ML
On the Unique Recovery of Transport Maps and Vector Fields from Finite Measure-Valued Data
Jonah Botvinick-Greenhouse and Yunan Yang
We establish guarantees for the unique recovery of vector fields and transport maps from finite measure-valued data, yielding new insights into generative models, data-driven dynamical systems, and PDE inverse problems. In particular, we provide general conditions under which a diffeomorphism can be uniquely identified from its pushforward action on finitely many densities, i.e., when the data $\{(\rho_j,f_\#\rho_j)\}_{j=1}^m$ uniquely determines $f$. As a corollary, we introduce a new metric which compares diffeomorphisms by measuring the discrepancy between finitely many pushforward densities in the space of probability measures. We also prove analogous results in an infinitesimal setting, where derivatives of the densities along a smooth vector field are observed, i.e., when $\{(\rho_j,\text{div} (\rho_j v))\}_{j=1}^m$ uniquely determines $v$. Our analysis makes use of the Whitney and Takens
embedding theorems, which provide estimates on the required number of densities $m$, depending only on the intrinsic dimension of the problem. We additionally interpret our results through the lens of Perron–Frobenius and Koopman operators and demonstrate how our techniques lead to new guarantees for the well-posedness of certain PDE inverse problems related to continuity, advection, Fokker–Planck, and advection-
diffusion-reaction equations. Finally, we present illustrative numerical experiments demonstrating the unique identification of transport maps from finitely many pushforward densities, and of vector fields from finitely many weighted divergence observations.
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Machine Learning
LLM-Guided Dynamic Action Spaces for Synthesizable Molecular Optimization
Tao Li, Kaiyuan Hou, Tuan Vinh et al. (+4 more)
Synthesizable molecular optimization seeks to improve target properties while ensuring that molecular modifications follow feasible synthetic pathways. Existing synthesis-aware methods typically rely on exploring a large space of candidate transformations defined by reaction templates and purchasable building blocks. This search becomes even more challenging when property improvement requires multiple reaction steps, as the space expands further along the pathway. To address this challenge, we introduce MolReAct, which reformulates molecular optimization as search over compact reaction spaces proposed by a tool-augmented large
language model (LLM). At each step, the LLM combines its prior chemical knowledge with cheminformatics tools to identify a molecule-specific set of compatible reactions, preserving synthesizability while making multi-step optimization feasible. Given this compact action space, we further leverage Group Relative Policy Optimization (GRPO) with the terminal oracle reward to improve long-term decision-making over multiple reaction steps. Across diverse molecular optimization tasks, MolReAct achieves the highest Top-10 score on 11 of 14 tasks and the best sample efficiency on 12 of 14 tasks, outperforming existing baselines under limited oracle budgets. Beyond these gains, MolReAct also provides each optimized molecule with a template-grounded synthetic pathway.
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All authors Tao Li, Kaiyuan Hou, Tuan Vinh, Fanglei Xue, Monika Raj, Zhichun Guo, Carl Yang
Machine Learning
An Imperfect Verifier is Good Enough: Learning with Noisy Rewards
Andreas Plesner, Francisco Guzmán and Anish Athalye
Reinforcement Learning with Verifiable Rewards (RLVR) is widely used for post-training Large
Language Models, but practical verifiers can make errors. We study how the rate and structure of reward noise affect RLVR in code generation, with a preliminary scientific-
reasoning check. In multi-seed Qwen3 8B experiments on MBPP, mean validation reward over two fixed late evaluations is within 1 percentage point of the clean baseline at the tested resampled group-rollout noise rates through 20%, and within about 2 points at 30%. Confidence intervals allow larger losses; these point estimates do not establish a general tolerance threshold. We also examine full-program pass@k, four controlled noise structures, two model-based verifiers, and policy models from three families spanning 4B-9B parameters. We derive conditional advantage distributions for symmetric and asymmetric group noise, including retained format penalties, and show why clipping limits simple gradient-scaling arguments. The analysis identifies information preserved by whole-group corruption and limits on interpreting our asymmetric sweep as a precision-recall comparison. Overall, the results indicate that imperfect verification can support effective RLVR in the tested settings, while aggregate error rates alone do not characterize the learning signal.
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Machine Learning
SAGE: Sign-Adaptive Gradient for Memory-Efficient LLM Optimization
Wooin Lee and Hyun-Tae Kim
The AdamW optimizer, while standard for LLM pretraining, is a critical
memory bottleneck, consuming optimizer states equivalent to twice the model's size. Although light-state optimizers like SinkGD attempt to address this issue, we identify the
embedding layer dilemma: these methods fail to handle the sparse, high-variance gradients inherent to
embeddings, forcing a hybrid design that reverts to AdamW and partially negates the
memory gains. We propose SAGE (Sign Adaptive GradiEnt), a novel optimizer that resolves this dilemma by replacing AdamW in this hybrid structure. SAGE combines a Lion-style update direction with a new,
memory-efficient $O(d)$ adaptive scale. This scale acts as a "safe damper," provably bounded by 1.0, which tames high-variance dimensions more effectively than existing methods. This superior stability allows SAGE to achieve better convergence. On Llama models up to 1.3B parameters, our SAGE-based hybrid achieves new state-of-the-art perplexity, outperforming all baselines, including SinkGD hybrid, while significantly reducing optimizer state
memory.
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Machine Learning · Cross-listed from math.OC
Parameter-Free Non-Ergodic Extragradient Algorithms for Solving Monotone Variational Inequalities
Lingqing Shen and Fatma K{\i}l{\i}nç-Karzan
Monotone variational inequalities (VIs) provide a unifying framework for convex minimization,
equilibrium computation, and convex-concave saddle-point problems. Extragradient-type methods are among the most effective first-order
algorithms for such problems, but their performance hinges critically on stepsize selection. While most existing theory focuses on ergodic averages of the iterates, practical performance is often driven by the significantly stronger behavior of the last iterate. Moreover, available last-iterate guarantees typically rely on fixed stepsizes chosen using problem-specific global smoothness information, which is often difficult to estimate accurately and may not even be applicable. In this paper, we develop parameter-free extragradient methods with non-asymptotic last-iterate guarantees for constrained monotone VIs. For globally Lipschitz operators, our
algorithm achieves an $o(1/\sqrt{T})$ last-iterate rate. We then extend the framework to locally Lipschitz operators via backtracking line search and obtain the same rate while preserving parameter-freeness, thereby making parameter-free last-iterate methods applicable to important problem classes for which global smoothness is unrealistic. Our numerical experiments on bilinear
matrix games, LASSO, minimax group
fairness, and state-of-the-art maximum
entropy sampling relaxations demonstrate wide applicability of our results as well as strong last-iterate performance and significant improvements over existing methods.
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