arXiv subjects

Masashi Sugiyama

Publications and source records attributed to Masashi Sugiyama.

At least 19 recordsLinked to original sources

arXiv2026

DenMark: Robust Semantic Watermarking for Diffusion Language Models

Semantic text watermarks encode signals in meaning rather than surface token choices, offering robustness to paraphrasing and other semantic-preserving edits. Existing semantic watermarking methods are primarily designed for autoregressive language models (ARLMs), where completed candidate units can be generated and scored before generation proceeds. This paradigm does not naturally extend to diffusion language models (DLMs), where semantic units remain incomplete during intermediate denoising steps and tokens may be updated in flexible orders. We propose DenMark, a semantic watermarking framework that injects key-dependent signals directly into the DLM denoising process. DenMark partitions the output into fixed token regions and uses temporary rollouts as semantic lookahead: conditional completions estimate the eventual semantics of an incomplete region, enabling DenMark to select local updates with higher estimated semantic watermark scores. Repeating this procedure across denoising steps progressively accumulates watermark evidence in the final output. For detection, DenMark uses calibrated scanning over candidate unit sizes to remain robust to boundary shifts introduced by semantic attacks. Across four DLMs, three datasets, and four semantic attacks, DenMark achieves the best results across all reported detection metrics in all 48 backbone-dataset-attack combinations. These results demonstrate that DenMark provides an effective mechanism for robust semantic watermarking in DLMs.

cs.CL↗

arXiv2026

Bayes-Optimal BER and AUC: Estimation and Evaluation of Estimators

A fundamental quantity in machine learning is the optimal performance achievable by any model on a given task. Estimating this quantity allows us to distinguish the irreducible part of the error from a deficiency of the model, telling us how much room for improvement remains. Recent work has shown that the Bayes error, or equivalently the optimal accuracy, can be estimated from soft labels in binary classification. However, accuracy is often a poor summary of performance in settings with severe class imbalance or noisy annotations, where metrics such as the balanced error rate (BER) and the area under the ROC curve (AUC) are more appropriate. We address this gap with two complementary contributions. (i) Estimation. We propose soft-label-based estimators for the optimal BER and AUC. We first consider the clean setting in which true soft labels and the class prior are known, and then extend the estimators to a more realistic setting in which the class prior is unknown and the observed soft labels are corrupted by an unknown order-preserving transformation, possibly followed by additive noise. In the latter setting, we approximately recover the clean soft labels via isotonic regression with auxiliary hard labels, estimate the class prior with a clipped mean of the hard labels, and derive finite-sample error bounds for the resulting plug-in estimators. (ii) Evaluation. Since the optimum is unobservable on real datasets, evaluating any such estimator is itself nontrivial. We extend the FeeBee framework, originally proposed for evaluating Bayes-error estimators, to the optimal BER and AUC. The resulting procedure provides practical evaluation scores without requiring knowledge of the optimum, and applies to any estimator of the optimal BER or AUC, not only our proposed ones. Experiments on synthetic and real-world datasets validate both the estimators and the evaluation procedure.

cs.LG↗

arXiv2026

Recent advances in weakly supervised learning: New supervision paradigms, assumption relaxations, and practical solutions

Deep learning has achieved great success in recent years thanks to the availability of high-quality, well-annotated training data. However, this requirement is often not met in real-world applications. Weakly supervised learning aims to train an accurate model with incomplete, inexact, or inaccurate supervision. In this chapter, we will discuss recent advances in this field, including new supervision paradigms, relaxed assumptions, and practical solutions. First, we introduce a new weakly supervised binary classification problem called confidence-difference classification and propose consistent approaches to solve it. Next, we investigate complementary-label learning, a weakly supervised multi-class classification problem. Our proposed approaches are based on more relaxed assumptions about the data generation process than existing consistent approaches. Lastly, we present an evaluation framework for partial-label learning, another popular multi-class weakly supervised learning problem, in order to promote fair and realistic evaluation of algorithms in this field.

cs.LG↗

arXiv2026

Proteo-R1: Reasoning Foundation Models for De Novo Protein Design

Deep learning in de novo protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce Proteo-R1, a reasoning-guided protein design framework that explicitly decouples molecular understanding from geometric generation. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an understanding expert, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based generation expert, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.

cs.LG↗

arXiv2026

When and Why Does Multi-Agent Debate Fail and Does It Really Underperform?

Multi-agent debate (MAD) was proposed as a promising approach for ensembling the wisdom of multiple large language models (LLMs) to improve reasoning and provide effective supervision to superhuman LLMs. However, increasing empirical evidence suggests that MAD may not outperform or even significantly underperform single-agent approaches (SA), raising doubts about the benefits of MAD. In this work, we investigate this issue by analyzing the incentive structures of popular MAD paradigms: (i) competitive MAD (CopMAD) where agents compete by holding opposing positions; (ii) consensus-seeking MAD (CosMAD) where agents are driven to seek consensus. We show that both paradigms suffer from debate hacking: CopMAD reduces to a cheap-talk game, where agents produce misleading messages to win the game, while CosMAD filters out informative disagreements for premature consensus. Consequently, agents in both CopMAD and CosMAD fail to jointly resolve the ambiguity and seek the truth. To this end, we introduce ColMAD, a collaborative protocol that reframes MAD as a non-zero-sum game to encourage agents to provide informative while truthful messages. Through extensive benchmarking on challenging tasks such as error detection, we show that ColMAD significantly outperforms previous MAD protocols up to 10 percentage points. Under the same budgets, ColMAD effectively brings non-trivial improvements over SA methods, implying that the protocol design is critical to realizing the potential of MAD.

cs.LG↗

arXiv2026

Gradient Regularization Mitigates Reward Hacking in Reinforcement Learning from Human Feedback and Verifiable Rewards

Reinforcement Learning from Human Feedback (RLHF) or Verifiable Rewards (RLVR) are two key steps in the post-training of modern Language Models (LMs). A common problem is reward hacking, where the policy may exploit inaccuracies of the reward and learn an unintended behavior. Most previous works address this by limiting the policy update with a Kullback-Leibler (KL) penalty towards a reference model. We propose a different framing: Train the LM in a way that biases policy updates towards regions in which the reward is more accurate. First, we derive a theoretical connection between the accuracy of a reward model and the flatness of an optimum at convergence. Gradient regularization (GR) can then be used to bias training to flatter regions and thereby maintain reward model accuracy. We confirm these results by showing that the gradient norm and reward accuracy are empirically correlated in RLHF. We then empirically show that Reference Resets of the KL penalty find flatter regions with a higher reward accuracy. We further improve on this by proposing to use explicit GR with an efficient finite-difference estimate. Empirically, GR performs better than a KL penalty across a diverse set of RL experiments with LMs. GR achieves a higher GPT-judged win-rate in RLHF, avoids overly focusing on the format in rule-based math rewards, and prevents hacking the judge in LLM-as-a-Judge math tasks.

cs.LG↗

arXiv2026

Accelerating Discrete Diffusion Models with Parallel-In-Time Sampling

Discrete diffusion models are widely used for learning and generating discrete distributions. As the generation process is inherently sequential, the acceleration of sampling is of significant importance. In this work, we parallelize the mainstream $τ$-leaping algorithm for absorbing discrete diffusion in a Continuous-Time Markov Chain (CTMC) framework. By leveraging the continuous-time stochastic integral form of the $τ$-leaping algorithm and the Picard iteration method, we achieve parallel-in-time sampling acceleration and provide a proof of exponential-factorial convergence for our algorithm. We improve the overall time complexity of $τ$-leaping under absorbing settings from ${\mathcal{O}}(d \log S)$ to ${\mathcal{O}}(\log (d\log S)\cdot \log d)$ with respect to NFE. Empirically, our method shows consistent acceleration across synthetic and real-data settings. The new sampler achieves at most $7$--$9\times$ runtime speedup for synthetic distribution, and maintains the same quality with $50\%$ fewer NFE and $1.45$--$1.86\times$ runtime speedups in image/text tasks on a single GPU. Our research expands the potential of discrete diffusion models for efficient parallel inference, with broader implications for applications such as molecular structure and language generation.

cs.LG↗

arXiv2026

Data-dependent Exploration for Online Reinforcement Learning from Human Feedback

Online reinforcement learning from human feedback (RLHF) has emerged as a promising paradigm for aligning large language models (LLMs) by continuously collecting new preference feedback during training. A foundational challenge in this setting is exploration, which requires algorithms that enable the LLMs to generate informative comparisons that improve sample-efficiency in online RLHF. Existing exploration strategies often derive bonuses via on-policy expectations, which are difficult to estimate reliably from the limited historical preference data available during training; as a result, the policy can prematurely down-weight under-explored regions that may contain high-value behaviors. In this paper, we propose data-dependent exploration for preference optimization (DEPO), a simple and scalable method that leverages historical data to construct an extra uncertainty bonus for high-uncertainty regions, encouraging exploration toward potentially high-value data. Theoretically, we provide a data-dependent regret bound for the proposed algorithm, showing that it adapts to the hardness of the learning task itself and can be tighter than worst-case bounds in practice. Empirically, the proposed method consistently outperforms strong baselines across benchmarks, demonstrating improved sample efficiency.

cs.LG↗

arXiv2026

Selective Ensemble Based on Preference-Directed Multi-Objective Bandits

Selective ensemble for modern machine learning systems requires choosing promising model candidates under limited evaluation budgets, while downstream tasks often specify only partial preferences over capabilities such as accuracy, robustness, and reasoning. This setting naturally gives rise to a sequential decision problem under partially specified linear preferences. We formalize it as preference-directed multi-objective bandits (PDMOB), where admissible trade-offs are represented by a polyhedral preference cone. Based on this formulation, we introduce Pareto $C$-optimality, which recovers standard Pareto optimality and single-weight scalarization as special cases. We then propose the preference-directed upper confidence bound (PrefUCB) algorithm, which maintains directional confidence intervals to guide exploration. We analyze both indicator-based and gap-weighted regret, and establish instance-dependent logarithmic bounds for both criteria, recovering the optimal logarithmic dependence on the horizon $T$ in classical special cases. Experiments on large pre-trained model selective ensemble tasks and online asset allocation under institutional mandates validate the efficacy of our method.

cs.LG↗

arXiv2026

CARPRT: Class-Aware Zero-Shot Prompt Reweighting for Black-Box Vision-Language Models

Pre-trained vision-language models (VLMs) enable zero-shot image classification by computing the similarity score between an image and textual descriptions, typically formed by inserting a class label (e.g., "cat") into a prompt (e.g., "a photo of a"). Since the score for a given image-class pair is sensitive to the choice of prompt, existing studies ensemble multiple prompts using a weighting vector to aggregate scores across different prompts. Yet, in current strategies, the weighting vector assigned to each prompt is shared across all classes, implicitly assuming that prompts are conditionally independent of classes, which often does not hold in practice, as a prompt like "an aerial view of" might be apt for "airport" but ill-suited for "apple". To address this, we propose class-aware zero-shot prompt reweighting (CARPRT). This scoring scheme adjusts the weighting vector for each class label by capturing the class-specific relevance of different prompts in a training-free manner. For each class label and every available prompt, we quantify their class-specific relevance by averaging image-text relevance scores over images predicted to that class under the given prompt. These estimates are then normalized to derive class-specific weights. Evaluations on standard image classification benchmarks show that CARPRT outperforms existing class-independent reweighting methods, confirming that modeling prompt-class dependencies is crucial for effective zero-shot prediction and even broader VLM-based application settings that rely on prompt ensembling. Our code is available at https://github.com/tmlr-group/CARPRT.

cs.LG↗

arXiv2026

Do Coding Agents Deceive Us? Detecting and Preventing Cheating via Capped Evaluation with Randomized Tests

A growing failure mode in agent evaluation and training is that models can achieve high evaluation scores by exploiting shortcuts instead of solving the intended task, producing deceptive performance. This makes evaluation scores unreliable as measures of true task-solving ability. We propose CapCode, a framework for constructing coding datasets with randomized tests whose best achievable non-cheating performance is deliberately capped below one. This capped-performance design gives evaluation scores a clearer interpretation: scores substantially above the cap are implausible and therefore provide evidence of cheating. To prevent cheating, we propose CapReward, a reward design based on the CapCode principle to discourage optimization beyond the cap. Experiments across multiple datasets show that CapCode detects cheating while preserving performance ranking of models, and CapReward reduces cheating behavior, yielding models that better follow the intended task specification.

cs.LG↗

arXiv2026

Accelerated Dynamic Importance Weighting with Versatile Divergence-Minimizing Estimators

Importance weighting (IW) is a golden solver for joint distribution shift, where the joint distributions differ between the training and test data. To solve this problem, IW estimates test-to-training density ratios as importance weights and reweights the training losses accordingly. Recent advances in dynamic IW (DIW) integrate weight estimation into model training, enabling scalable IW for deep models and achieving strong performance on large modern datasets. Despite its promise, DIW remains limited in two aspects. First, it incurs substantial computational overhead by solving a kernel mean matching (KMM)-induced optimization problem to convergence in every mini-batch. Second, it relies solely on KMM for weight estimation, whereas the IW literature contains diverse estimation methods based on different divergence measures. In this paper, we propose accelerated DIW (ADIW), a unified and efficient IW framework for deep learning under joint distribution shift. ADIW performs a few lightweight projected gradient descent updates that warm-start from previously updated weights, substantially improving efficiency. Moreover, ADIW generalizes DIW into a unified divergence-minimization framework that supports diverse weight-estimation methods in a plug-and-play manner, including those based on the Kullback-Leibler divergence, squared distance, and Wasserstein-1 distance. We establish convergence guarantees for ADIW under mild conditions, and empirical results demonstrate that ADIW achieves state-of-the-art IW performance while being substantially more efficient.

cs.LG↗

arXiv2026

Reinforcement Learning with Verifiable yet Noisy Rewards under Imperfect Verifiers

Reinforcement Learning with Verifiable Rewards (RLVR) replaces costly human labeling with automated verifiers. To reduce verifier hacking, many RLVR systems binarize rewards to $\{0,1\}$, but imperfect verifiers inevitably introduce \emph{false negatives} (rejecting correct answers) and \emph{false positives} (accepting incorrect ones). We formalize verifier unreliability as a stochastic reward channel with asymmetric noise rates $ρ_0$ and $ρ_1$ -- the FP rate and the FN rate, respectively. From this abstraction we derive two lightweight corrections: (i) a \emph{backward} correction that yields an unbiased surrogate reward and thus an unbiased policy-gradient estimator in expectation, and (ii) a \emph{forward} correction that reweights score-function terms so the expected update aligns with the clean gradient direction and requires only the FN rate. We implement both as lightweight hooks in a group relative policy optimization pipeline, both corrections improve RLVR for math reasoning under synthetic and real verifier noise, with the forward variant being more stable under heavier noise. Finally, an appeals mechanism with a lightweight LLM verifier estimates the FN rate online and further improves performance.

cs.LG↗

arXiv2026

VI-CuRL: Stabilizing Verifier-Independent RL Reasoning via Confidence-Guided Variance Reduction

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a dominant paradigm for enhancing Large Language Models (LLMs) reasoning, yet its reliance on external verifiers limits its scalability. Recent findings suggest that RLVR primarily functions by eliciting latent capabilities, motivating the development of verifier-free algorithms. However, in such settings, standard methods like Group Relative Policy Optimization face a critical challenge: destructive gradient variance that often leads to training collapse. To address this issue, we introduce Verifier-Independent Curriculum Reinforcement Learning (VI-CuRL), a framework that leverages the model's intrinsic confidence to construct a curriculum independent from external verifiers. By prioritizing high-confidence samples, VI-CuRL effectively manages the bias-variance trade-off, specifically targeting the reduction of action and problem variance. We provide a rigorous theoretical analysis, proving that our estimator guarantees asymptotic unbiasedness. Empirically, VI-CuRL promotes stability and consistently outperforms verifier-dependent/independent baselines across math and general reasoning benchmarks with/without verifiers.

cs.LG↗

arXiv2026

Mahjax: A GPU-Accelerated Mahjong Simulator for Reinforcement Learning in JAX

Riichi Mahjong is a multi-player, imperfect-information game characterized by stochasticity and high-dimensional state spaces. These attributes present a unique combination of challenges that mirror complex real-world decision-making problems in reinforcement learning. While prior research has heavily relied on supervised learning from human play logs to pre-train the policy, algorithms capable of learning \textit{tabula rasa} (from scratch) offer greater potential for general applicability, as evidenced by the AlphaZero lineage. To facilitate such research, we introduce \textbf{Mahjax}, a fully vectorized Riichi Mahjong environment implemented in JAX to enable large-scale rollout parallelization on Graphics Processing Units (GPUs). We also provide a high-quality visualization tool to streamline debugging and interaction with trained agents. Experimental results demonstrate that Mahjax achieves throughputs of up to \textbf{2 million} and \textbf{1 million steps per second} on eight NVIDIA A100 GPUs under the no-red and red rules, respectively. Furthermore, we validate the environment's utility for reinforcement learning by showing that agents can be trained effectively to improve their rank against baseline policies.

cs.AI↗

arXiv2026

Embracing Biased Transition Matrices for Complementary-Label Learning with Many Classes

Complementary-label learning (CLL) is a weakly supervised paradigm where instances are labeled with classes they do not belong to. Despite a decade of research, CLL methods remain competitive mainly on 10-class classification, with scaling to large label spaces continuing to be an enduring bottleneck. This limitation stems from the common assumption of uniform label generation in traditional methods, which fatally dilutes the learning signal in many-class settings. In this paper, we demonstrate that this long-standing barrier can be overcome by deliberately designing a biased (non-uniform) generation process that restricts complementary labels to a subset of classes. This finding motivates us to propose Bias-Induced Constrained Labeling (BICL), a principled framework spanning data collection to training that leverages this bias. BICL enables effective learning on CIFAR-100 and TinyImageNet-200, achieving more than sevenfold accuracy improvements over traditional methods. Our findings establish a new trajectory for making CLL feasible for many classes in real-world applications.

cs.LG↗

arXiv2026

What Is Preference Optimization Doing, and Why?

Preference optimization (PO) is indispensable for large language models (LLMs), with methods such as direct preference optimization (DPO) and proximal policy optimization (PPO) achieving great success. A common belief is that DPO is supervised learning while PPO is reinforcement learning, yet deeper analyses for the reasons underlying these differences remain lacking. To fill this gap, we analyze their optimization dynamics, revealing distinct algorithmic behaviors and comprehending their underlying causes. First, we examine the target directions of gradient-based updates and find that DPO follows stable targets, whereas PPO balances exploration and exploitation, validating the common belief yet from this new perspective. Second, we examine the roles of positive learning, negative learning, and loss reweighting, which are three key yet seldom discussed components within PO methods. Our analyses reveal that these components play fairly different roles. In DPO, positive and negative learning jointly shape the targets. However, loss reweighting in DPO acts less as a reward signal but more as a regularizer to mitigate overfitting. In PPO, negative learning primarily supports exploration rather than determining the targets. Meanwhile, loss reweighting, related to the absolute advantages, indicates the distinct roles of token groups in updating targets. Given these findings, we conduct carefully designed ablation studies to further examine how controlling these dynamics impacts optimization efficiency and practical performance. The insights gained from our analyses not only deepen the understanding of PO methods but also inspire the development of more preference-aligned LLMs.

cs.LG↗

arXiv2026

Practical estimation of the optimal classification error with soft labels and calibration

While the performance of machine learning systems has experienced significant improvement in recent years, relatively little attention has been paid to the fundamental question: to what extent can we improve our models? This paper provides a means of answering this question in the setting of binary classification, which is practical and theoretically supported. We extend a previous work that utilizes soft labels for estimating the Bayes error, the optimal error rate, in two important ways. First, we theoretically investigate the properties of the bias of the hard-label-based estimator discussed in the original work. We reveal that the decay rate of the bias is adaptive to how well the two class-conditional distributions are separated, and it can decay significantly faster than the previous result suggested as the number of hard labels per instance grows. Second, we tackle a more challenging problem setting: estimation with corrupted soft labels. One might be tempted to use calibrated soft labels instead of clean ones. However, we reveal that calibration guarantee is not enough, that is, even perfectly calibrated soft labels can result in a substantially inaccurate estimate. Then, we show that isotonic calibration can provide a statistically consistent estimator under an assumption weaker than that of the previous work. Our method is instance-free, i.e., we do not assume access to any input instances. This feature allows it to be adopted in practical scenarios where the instances are not available due to privacy issues. Experiments with synthetic and real-world datasets show the validity of our methods and theory. The code is available at https://github.com/RyotaUshio/bayes-error-estimation.

cs.LG↗