ICML 2026 论文列表

Discrete diffusion language models generate text by iteratively denoising an entire response in parallel. At each step, they predict tentative tokens for every masked position, committing the confident predictions to the output and discarding the unconfident ones. We show that the discarded tokens are in fact a useful lookahead signal for retrieval-augmented generation: even low-confidence tokens often surface salient entities early in the denoising trajectory, enabling retrieval of stronger evidence before the output is finalized. We exploit this through Self-Augmenting Retrieval for Diffusion Language Models (SARDI), a dynamic RAG framework that uses these lookahead tokens to guide retrieval during denoising. SARDI is training-free, retriever-agnostic, and applicable to any reasoning-capable discrete diffusion language model. Across five multi-hop QA benchmarks, SARDI outperforms current training-free diffusion and autoregressive retrieval baselines at up to $8\times$ higher throughput.

Cross-architecture migration of high-performance libraries dictates ecosystem readiness on emerging hardware. The challenge is twofold: disentangling library-scale dependencies and performance-critical kernels with ISA-specific SIMD intrinsics, often trading migration speed for peak performance. While LLM-based agents offer a promising approach, are confined to function-level tasks or scalar code, failing to assess agents’ capabilities and limitations in realistic, library-scale migration. We present QM-LibBench, a benchmark for cross-architecture library-scale code migration, featuring 85 critical kernels from widely used libraries, including OpenCV, libjpeg, and NCNN. It supports comprehensive evaluations of compilability, correctness, and performance across major transitions: ARM→RISC-V, x86→ARM, and ARM→LoongArch. Evaluation of 12 SOTA agent-LLM combinations on QM-LibBench reveals that, due to the lack of library-level navigation and hardware-aware optimization, agents regress to superficial pattern matching, yielding only 20.88\% correctness and 0.83 speedup for libjpeg. Motivated by these findings, we further propose FSCM, a multi-agent framework incorporating hardware-aware global reconfiguration and performance optimization. FSCM improves OpenCV correctness to 71\%. The benchmark and code are available at https://github.com/WisdomJoy/QM-LibBench.

Learning to Defer (L2D) enables a classifier to abstain from predictions and defer to an expert, and has recently been extended to multi-expert settings. In this work, we show that multi-expert L2D is fundamentally more challenging than the single-expert case. With multiple experts, the classifier's underfitting becomes inherent, which seriously degrades prediction performance, whereas in the single-expert setting it arises only under specific conditions. We theoretically reveal that this stems from an intrinsic expert identifiability issue: learning which expert to trust from a diverse pool, a problem absent in the single-expert case and renders existing underfitting remedies failed. To tackle this issue, we propose PiCCE (**Pi**ck the **C**onfident and **C**orrect **E**xpert), a surrogate-based method that adaptively identifies a reliable expert based on empirical evidence. PiCCE effectively reduces multi-expert L2D to a single-expert–like learning problem, thereby resolving multi-expert underfitting. We further prove its statistical consistency and ability to recover class probabilities and expert accuracies. Extensive experiments across diverse settings, including real-world expert scenarios, validate our theoretical results and demonstrate improved performance.

Personalized multi-subject video generation is a promising direction within the field of controllable video generation; however, existing methods face challenges in maintaining cross-frame identity consistency and incur high computational overhead. To address these issues, we propose DiasR, an efficient framework that integrates Dual-Modal Identity-Anchored Alignment and a novel Sparse Routing Strategy. The Dual-Modal Identity-Anchored Alignment employs learnable identity queries to align visual and textual modalities with ground-truth subject masks, thereby mitigating cross-frame identity drift. The Sparse Routing Strategy dynamically routes video tokens to relevant subjects and groups them through bucket aggregation, reducing computational overhead and alleviating identity entanglement induced by redundant tokens. We also construct MuSA-2M, a large-scale dataset comprising 2 million annotated samples equipped with subject-level masks, which fills the gap in existing multi-subject video datasets. Experiments conducted on the OpenS2V-Eval benchmark demonstrate that our method achieves superior performance in identity consistency, text fidelity, and video naturalness. Notably, it maintains a nearly constant inference time as the number of reference subjects increases, outperforming existing baselines in both efficiency and generation quality for scenarios involving multi-subject interactions. Project Page: https://tale17.github.io/diasr.

Linear bandits have long been a central topic in online learning, with applications ranging from recommendation systems to adaptive clinical trials. Their general learnability has been established when the objective is to minimise the inner product between a cost parameter and the decision variable. While this is highly general, this reliance on an inner product structure belies the name of \emph{linear} bandits, and fails to account for problems such as Optimal Transport. Using the Kantorovich formulation of Optimal Transport as an example, this article shows that an inner product structure is \emph{not} necessary to achieve efficient learning in linear bandits. We propose a refinement of the classical OFUL algorithm that operates by embedding the action set into a Hilbertian subspace, where confidence sets can be built via least-squares estimation. Actions are then constrained to this subspace by penalising optimism. The analysis is completed by leveraging convergence results from penalised (entropic) transport to the Kantorovich problem. Up to this approximation term, the resulting algorithm achieves the same trajectorial regret upper bounds as the OFUL algorithm, which we turn into worst-case regret using functional regression techniques. Its regret interpolates between $\tilde{\mathcal O}(\sqrt{T})$ and ${\mathcal O}(T)$, depending on the regularity of the cost function, and recovers the parametric rate $\tilde{\mathcal O}(\sqrt{dT})$ in finite-dimensional settings.

Cooperation is central to multi-agent reinforcement learning (MARL), yet learned coordination can be fragile when external perturbations disrupt inter-agent interactions. Prior robust MARL methods have primarily considered value-oriented attacks, leaving a gap in robustness when interaction structures themselves are corrupted. In this paper, we propose an interaction-breaking adversarial learning (IBAL) framework that takes an information-theoretic view to construct attacks that impede coordination by perturbing agents’ observations and actions, and trains agents to perform reliably under such disruptions. Empirically, our approach improves robustness over existing robust MARL baselines across diverse attack settings and yields stronger performance even under agent-missing scenarios. Our code is available at https://sunwoolee0504.github.io/IBAL.

We study ridge regression and ridge-regularized empirical risk minimization (ERM) under $(\varepsilon,\delta)$-differential privacy via output perturbation. In classical private ERM, the ridge parameter simultaneously controls statistical regularization and the estimator’s global sensitivity. Larger regularization reduces the DP noise scale but increases bias. So choosing the tuning parameter becomes a privacy--accuracy bottleneck. We propose a framework that makes these two roles explicit by decoupling regularization into (i) a statistical penalty $\alpha$, defining the target ridge/ERM solution, and (ii) a privacy-stabilization parameter $c$, used only to enforce a curvature floor and hence a tight sensitivity bound. We apply this framework to ridge regression, where $c$ is used to boost the minimum eigenvalue of the empirical Gram matrix. We derive an explicit bias--variance--DP-variance risk decomposition and characterize optimal $(\alpha,c)$ in several regimes, yielding sharp tuning guidance and improved accuracy relative to single-parameter regularization. Finally, we extend the same decoupling principle to general ridge-regularized ERM. We support the theory with simulations.

This paper studies the use of *kernel density estimation* (KDE) for linear algebraic tasks involving the *kernel matrix* of a collection of $n$ data points in $\mathbb{R}^d$. In particular, we improve upon the best existing algorithms for computing the following up to $(1+\varepsilon)$ relative error for a Gaussian kernel matrix and other kernels: matrix-vector products, matrix-matrix products, the spectral norm, and sum of all entries. The runtimes of our algorithms depend linearly on the dimension $d$, sub-quadratically in the number of points $n$, and polynomially on the target error $\varepsilon$. Importantly, the dependence on $n$ in each case is far lower when accessing the kernel matrix through KDE queries as opposed to reading individual entries. Our improvements over existing best algorithms (particularly those of [Backurs et al. ICML `21]) for these tasks reduce the polynomial dependence on $\varepsilon$, and additionally decrease the dependence on $n$ in the case of computing the sum of all entries of the kernel matrix. For example, we reduce the power of $1/\epsilon$ from $\approx 7.7$ to $\approx 3.2$ for a $1-\varepsilon$ relative error estimation of the spectral norm of a Gaussian kernel matrix. We complement our upper bounds with several lower bounds for related problems, which provide (conditional) quadratic time hardness results and additionally hint at the limits of KDE based approaches for the problems we study.

We propose physics-informed spectral diffusion (PISD), a methodology that combines generative latent diffusion models with physics-informed machine learning to generate solutions of partial differential equations (PDEs) conditioned on partial observations, which includes, in particular, forward and inverse PDE problems. We learn the joint distribution of PDE parameters and solutions via a diffusion process in a latent space of scaled spectral representations, where Gaussian noise corresponds to functions with controlled regularity. This spectral formulation enables significant dimensionality reduction compared to grid-based diffusion models and ensures that the induced process in function space remains within a class of functions for which the PDE operators are well defined. Building on diffusion posterior sampling, we enforce physics-informed constraints and measurement conditions during inference, applying Adam-based updates at each diffusion step. We evaluate the proposed approach on Poisson, Helmholtz, and incompressible Navier-Stokes equations, demonstrating improved accuracy and computational efficiency compared with existing diffusion-based PDE solvers, which are state of the art for sparse observations. Code is available at https://github.com/deeplearningmethods/PISD.

Training large language models (LLMs) is computationally expensive, partly because the loss exhibits slow power-law convergence whose origin remains debatable. Through systematic analysis of toy models and empirical evaluation of LLMs, we show that this behavior can arise intrinsically from the use of softmax and cross-entropy. When learning peaked probability distributions, e.g., next-token distributions, these components generically yield power-law vanishing losses and gradients, regardless of many microscopic details, creating a fundamental optimization bottleneck. This ultimately leads to power-law time scaling of the loss with a universal exponent of $1/3$. Our results provide a mechanistic explanation for observed neural scaling and suggest new directions for improving LLM training efficiency.

Large Language Model (LLM) agents use memory to learn from past interactions. However, this reliance on memory introduces a critical security risk: an adversary can inject seemingly harmless records into an agent's memory to manipulate its future behavior. This vulnerability is characterized by two core aspects: First, the malicious effect of injected records is only activated within a specific context, making them hard to detect when individual memory entries are audited in isolation. Second, once triggered, the manipulation can initiate a self-reinforcing error cycle: the corrupted outcome is stored as precedent, which not only amplifies the initial error but also progressively lowers the threshold for similar attacks in the future. To address these challenges, we introduce \emph{A-MemGuard} (\underline{A}gent-\underline{Mem}ory \underline{Guard}), the first defense framework for LLM agent memory. The core idea of our work is the insight that memory itself must become both \emph{self-checking} and \emph{self-correcting}. Without modifying the agent's core architecture, A-MemGuard combines two mechanisms: (1) \textbf{consensus-based validation}, which detects anomalies by comparing reasoning paths derived from multiple related memories and (2) a \textbf{dual-memory structure}, where detected failures are distilled into ``lessons'' stored separately and consulted before future actions, breaking error cycles and enabling adaptation. Comprehensive evaluations on multiple benchmarks show that A-MemGuard effectively cuts attack success rates by over 95\% while incurring a minimal utility cost. This work shifts LLM memory security from static filtering to a proactive, experience-driven model where defenses strengthen over time.

Plasticity—a neural network's ability to adapt to new tasks—is critical for continual and transfer learning. Existing measures, such as effective rank, dead neuron fraction, and weight norm, lack theoretical grounding and correlate poorly with performance on new tasks. We introduce *local redundancy*, an information-theoretic measure derived from universal compression theory. We define local redundancy as the worst-case redundancy of a local model family—parameters in an infinitesimal neighborhood along gradient directions—and show this is a principled measure of plasticity. Although local redundancy is intractable to compute exactly, we prove that the expected squared gradient norm on a synthetic memorization task provides an efficiently computable lower bound. Experiments on continual image classification and time series transfer learning demonstrate that local redundancy predicts downstream performance better than existing measures and enables pretraining checkpoint selection where validation loss plateaus.

Embedding-based representations in Euclidean space $\mathbb{R}^d$ are a cornerstone of modern machine learning, where a major goal is to use the \emph{smallest dimension} that faithfully captures data relations. In this work, we prove sharp dimension--accuracy tradeoffs and identify a fundamental information-theoretic limitation: unless the embedding dimension $d$ is chosen close to the ground-truth dimension $D$, accuracy undergoes a sudden collapse. Our main result shows that this phenomenon arises even in standard contrastive learning settings, where supervision is limited to a set of $m$ anchor--positive--negative triplets $(i,j,k)$ encoding distance comparisons $\mathrm{dist}(i,j) < \mathrm{dist}(i,k)$. Specifically, given triplets realizable by an unknown ground-truth embedding in $D$ dimensions, we prove that there exists constant $c < 1$, such that \emph{every embedding of dimension at most $cD$ violates almost half of the triplets}, yielding accuracy as low as a trivial one-dimensional solution that ignores the input. We complement our information-theoretic bounds with strong computational hardness results: under the Unique Games Conjecture, even if the given triplets are nearly realizable in $D=1$ dimension, no polynomial-time algorithm---\textit{regardless of its dimension}---can achieve accuracy above the trivial 50% baseline.

Shapley values are a principled attribution measure widely used in interpretable machine learning, but their exact computation scales exponentially with the number of players, motivating a wide range of approximation methods based on value function evaluations of sampled coalitions. This raises the question of whether approximation accuracy can be improved by *adaptively* selecting coalitions for evaluation based on previous evaluations. This is particularly relevant in settings where the value function is *costly* and the number of evaluations is severely limited, such as retraining-based feature importance, data valuation, and hyperparameter importance. For this purpose, we propose $\texttt{ShaplEIG}$, a Bayesian experimental design approach that approximates the expensive value function using a Gaussian process surrogate and adaptively selects coalitions based on their expected information gain about the Shapley values. By the linearity of the Shapley values in the value function, we show that the expected information gain is available in *closed form*. Furthermore, we propose an *efficient* computation scheme that reduces the complexity from exponential to polynomial in the number of players via elementary symmetric polynomials. In extensive experiments across diverse costly applications, our method consistently improves sample efficiency in the low-budget regime over state-of-the-art baselines.

Progress in genomic foundation models is difficult to assess due to fragmented benchmarks, incompatible evaluation protocols, and task-specific reporting. As a result, claims of superiority or generality across models are often not directly comparable. We introduce GENEB, a large-scale diagnostic benchmark that evaluates frozen representations from 40 genomic foundation models across 100 tasks spanning 13 functional categories under a unified probing-based protocol, including few-shot regimes. GENEB enables controlled comparison across model scale, architecture, tokenization, and pretraining data while explicitly exposing task-level trade-offs. Our analysis shows that aggregate leaderboards are unstable: model rankings vary sharply across task categories, scale provides only modest and inconsistent gains, and architectural and pretraining alignment frequently outweigh parameter count. These results highlight limitations of current evaluation practices and position GENEB as a reference framework for principled comparison and category-aware model selection in genomic machine learning.

Stochastic differential equations (SDEs) and stochastic partial differential equations (SPDEs) are fundamental for modeling stochastic dynamics across the natural sciences and modern machine learning. Learning their solution operators with deep learning models promises fast solvers and new perspectives on classical learning tasks. In this work, we build on Wiener--chaos expansions (WCE) to design neural operator (NO) architectures for SDEs and SPDEs: we project driving noise paths onto orthonormal Wick--Hermite features and use NO backbones to parameterize the corresponding chaos coefficients governed by deterministic equations, enabling reconstruction of S(P)DE solutions from the observed noise trajectories. Empirically, we achieve competitive accuracy across several tasks, including standard SPDE benchmarks and SDE-based diffusion one-step image sampling, topological graph interpolation, financial extrapolation, parameter estimation, and manifold SDE flood forecasting. We further explore a law-matching setting where the Brownian trajectories paired with training solutions are unobserved, and show that the proposed framework remains effective by sampling auxiliary Brownian paths from the prescribed noise prior. These results suggest WCE-based neural operators are a practical and scalable approach to learning SDE/SPDE solution operators across domains. Our source code can be found in https://github.com/EEthanShi/SDENO.

We show that Chain-of-Thought (CoT) expands the expressiveness of Transformer in-context learning (ICL). Specifically, we show CoT enable efficient simulation of In-Context Gradient Descent (ICGD) for $N$-layer neural network. Different from CoT, a Transformer with fixed depth and hidden dimension has fixed ICL capacity in one forward pass. Simulating larger models or more optimization steps in-context requires deeper or wider Transformers. CoT removes this limitation by providing an expandable workspace via the sequence trajectory. This enables arbitrary-step and arbitrary-capacity ICGD within a constant-depth Transformer. Second, we provide a provable efficient guarantee unique to CoT through dynamical masking. The attention mechanism only process the relevant tokens for the current update step. This eliminates the redundant ``process everything'' cost of single-pass deep models. Specifically, we prove this CoT mechanism improves the computational cost of the prior best in-context result [Wu et al., ICML 2025] by $O(N)$. Numerical validations support our theory.

Unified Multimodal Models (UMMs) integrate both visual understanding and generation within a single framework. Their ultimate aspiration is to create a cycle where understanding and generation mutually reinforce each other. While recent post-training methods have successfully leveraged understanding to enhance generation, the reverse direction of utilizing generation to improve understanding remains largely unexplored. In this work, we propose UniMRG (Unified Multi-Representation Generation), a simple yet effective architecture-agnostic post-training method. UniMRG enhances the understanding capabilities of UMMs by incorporating auxiliary generation tasks. Specifically, we train UMMs to generate multiple intrinsic representations of input images, namely pixel (reconstruction), depth (geometry), and segmentation (structure), alongside standard visual understanding objectives. By synthesizing these diverse representations, UMMs capture rich complementary information regarding appearance, spatial relations, and structural layout. Consequently, UMMs develop a deeper and more comprehensive understanding of visual inputs. Extensive experiments across diverse UMM architectures demonstrate that our method notably enhances fine-grained perception, reduces hallucinations, and improves spatial understanding, while simultaneously boosting generation capabilities.

Adam is a widely used optimization algorithm in deep learning, yet the specific class of objective functions where it exhibits inherent advantages remains underexplored. Unlike prior studies requiring external schedulers and $\beta_2$ near 1 for convergence, this work investigates the ``natural'' auto-convergence properties of Adam. We identify a class of highly degenerate polynomials where Adam converges automatically without additional schedulers. Specifically, we derive theoretical conditions for local asymptotic stability on degenerate polynomials and demonstrate strong alignment between theoretical bounds and experimental results. We prove that Adam achieves local linear convergence on these degenerate functions, significantly outperforming the sub-linear convergence of Gradient Descent and Momentum. This acceleration stems from a decoupling mechanism between the second moment $v_t$ and squared gradient $g_t^2$, which exponentially amplifies the effective learning rate. Finally, we characterize Adam's hyperparameter phase diagram, identifying three distinct behavioral regimes: stable convergence, spikes, and SignGD-like oscillation.