ICML 2026 Papers

Tertiary structure-based RNA design aims to generate RNA sequences that can fold into desired 3D structures, but remains a challenging problem due to the scarcity of annotated data, structural noise, and the intrinsic complexity of RNA topology. Existing structure-to-sequence frameworks largely rely on static k-nearest neighbor graphs and rigid message passing schemes, which fail to capture the flexible and heterogeneous nature of RNA geometry. To address these issues, we propose a unified framework, ATL-FGD, that integrates Adaptive Topology Learning (ATL) and FiLM-Guided Distillation (FGD) for robust RNA design. ATL introduces a differentiable edge gating mechanism to jointly learn topology and representation, enabling the model to construct data-driven, layer-adaptive graphs that better reflect structural dynamics and biochemical consistency. On top of this, FGD bridges structural and sequence representations via feature-wise linear modulation, softly transferring the semantic knowledge from RNA foundation models without relying on them during inference. Extensive experiments on tertiary structure-based RNA design benchmarks demonstrate that our approach achieves significant improvements in both sequence recovery and structural fidelity.

We study clustered multitask learning in a semiparametric setting where tasks share a latent cluster structure in their target parameters but exhibit heterogeneous, potentially infinite-dimensional nuisance components. Such heterogeneity poses a major challenge for existing multitask learning methods, which typically rely on aligned feature spaces or homogeneous task structures. To address this challenge, we propose an *adaptive fused orthogonal estimator* that integrates Neyman-orthogonal losses with data-driven pairwise fusion penalties. Our framework leverages task-specific pilot estimates to calibrate the fusion penalties and combines adaptive aggregation with orthogonalization to mitigate the impact of nuisance-parameter estimation error. Theoretically, we show that the proposed estimator achieves exact recovery of the latent clustering with high probability and attains pooled parametric convergence rates proportional to cluster size. Moreover, we establish asymptotic normality and show that, asymptotically, our estimator matches the performance of an oracle procedure that knows the true clustering in advance. Empirically, we show that the proposed method consistently outperforms strong baselines in various simulation setups. A real-world application to U.S. residential energy consumption further demonstrates the effectiveness of our approach in uncovering meaningful regional clustering in electricity price elasticity, showcasing the efficacy of our method.

Diffusion models have achieved remarkable success in generative modeling, yet their application to time series forecasting remains suboptimal. Existing approaches apply uniform Gaussian noise across all time steps, assuming all frequency components should be corrupted at the same rate. However, energy distribution across frequencies in time series is highly non-uniform: when uniform noise is added, high-frequency components are disproportionately overwhelmed while low-frequency trends remain inadequately diffused. We propose EADiff, an energy-adaptive diffusion framework operating in the wavelet domain to address this frequency-energy imbalance. Our key insight is that high-energy components require stronger perturbation while low-energy details need gentler corruption to preserve informative structures. We introduce a learnable modulation mechanism that automatically adjusts noise levels for each frequency band on a per-instance basis. Built upon this adaptive scheduler, we design a conditional diffusion framework where low-frequency trends serve as generation conditions, and noise-level-aware loss weighting naturally emphasizes different frequency components according to their signal characteristics. This cohesive design enables the model to respect the intrinsic multi-scale structure throughout both forward and reverse processes. Extensive experiments demonstrate that EADiff consistently outperforms existing diffusion-based and state-of-the-art deterministic methods.

Constrained clustering incorporates prior knowledge in the form of pairwise constraints to guide data partitioning. While effective, existing Bayesian approaches are often limited in scalability to large datasets and provide weak interpretability due to the lack of explicit feature relevance modeling. We propose BASIL, a scalable Bayesian semi-supervised clustering framework that leverages stochastic variational inference to jointly infer cluster assignments and feature importance weights. This joint formulation enables the identification of discriminative features consistent with the imposed constraints. To robustly handle noisy or inconsistent supervision, BASIL introduces an adaptive constraint-weighting mechanism that down-weights unreliable constraints. Experiments on synthetic and real-world benchmarks show BASIL attains competitive accuracy while reducing training time by over $96\\%$ on large datasets, learns interpretable cluster-specific feature importance maps, and remains robust to up to $30\\%$ noisy constraints under sufficient supervision. We further demonstrate applicability to large-scale health data, including medical imaging and electronic health records.

This paper introduces a new family of adaptive, distribution-free independence tests for multivariate random vectors based on binary expansion coefficients, supported by a tractable asymptotic theory. Our first key contribution establishes a general equivalence between independence testing and testing cross-covariances among exponentially many binary expansion interaction coefficients, applicable to broad sample spaces and not limited to kernel-induced representations. While this exponential interaction structure makes naive construction and computation infeasible, we overcome this challenge by reformulating the proposed tests as a class of U-statistics and deriving an explicit kernel representation that enables scalable and efficient computation. Exploiting the multiscale nature of binary expansions, the proposed framework automatically adapts to unknown dependence structures by selectively truncating higher-order interactions, yielding both strong power and clear interpretability. To further enhance power and computational efficiency, we introduce an adaptive weighted aggregation procedure, termed wa-dCoBET, which combines a baseline Covariance Binary Expansion Test (CoBET) with a distance-measure–based CoBET. Extensive simulations and a real-data application demonstrate that wa-dCoBET consistently matches or outperforms HSIC and distance covariance, particularly in higher-dimensional and non-monotone settings, while maintaining accurate type I error control.

Domain Adaptive Object Detection (DAOD) addresses the challenge of transferring object detectors from labeled source domains to unlabeled target domains. Existing domain adaptation methods primarily rely on feature distribution alignment, which enhances domain-invariant features (statistical invariance) but also inadvertently increases inherent domain-common spurious factors (e.g., common environmental contexts), which act as shortcut features rather than the true causal factors for object classification. We propose Dynamic Causal Refinement (DCR), a novel framework that establishes a closed-loop feedback mechanism between data augmentation and model optimization to progressively refine causal features. Specifically, we design Semantic Prediction Consistency (SPC) to filter domain-specific spurious factors and establish a robust statistical invariance, and Discrepancy-Guided Causal Refinement (DGCR) to actively suppress the dependence on domain-common spurious factors via spectral perturbation for causal refinement. This process encourages the detector to suppress its reliance on shortcut features and instead prioritize semantically meaningful causal representations. Extensive experiments on standard benchmarks demonstrate that our method outperforms state-of-the-art counterparts significantly.

While Diffusion Language Models (DLMs) offer a flexible, arbitrary-order alternative to the autoregressive paradigm, their non-causal nature precludes standard KV caching, forcing costly hidden state recomputation at every decoding step. Existing caching approaches reduce this cost by selective hidden state updates; however, they are still limited by (i) computationally costly token-wise update identification heuristics and (ii) rigid, uniform budget allocation that fails to account for heterogeneous hidden- tate dynamics. To address these challenges, we present SPA-Cache that jointly optimizes update identification and budget allocation. First, we derive a low-dimensional singular proxy that enables the identification of update-critical tokens in a low-dimensional subspace, substantially reducing the overhead of update identification. Second, motivated by the layer-wise heterogeneity in hidden state dynamics, we introduce an adaptive strategy that allocates fewer updates to stable layers without degrading generation quality. Together, these contributions significantly improve the efficiency of DLMs, yielding up to an $8\times$ throughput improvement over vanilla models decoding and a $2$-$4\times$ speedup over existing caching baselines.

We consider minimizing an objective function subject to constraints defined by the intersection of lower-level sets of convex functions. We study two cases: (i) strongly convex and Lipschitz-smooth objective function and (ii) convex but possibly nonsmooth objective function. To deal with the constraints that are not easy to project on, we use a randomized feasibility algorithm with Polyak steps and a random number of sampled constraints per iteration, while taking (sub)gradient steps to minimize the objective function. For case (i), we prove linear convergence in expectation of the objective function values to any prescribed tolerance using an adaptive stepsize. For case (ii), we develop a fully problem parameter-free and adaptive stepsize scheme that yields an $O(1/\sqrt{T})$ worst-case rate in expectation. The infeasibility of the iterates decreases geometrically with the number of feasibility updates almost surely, while for the averaged iterates, we establish an expected lower bound on the function values relative to the optimal value that depends on the distribution for the random number of sampled constraints. For certain choices of sample-size growth, optimal rates are achieved. Finally, simulations on a Quadratically Constrained Quadratic Programming (QCQP) problem, Support Vector Machines (SVM), and logistic regression with group fairness constraints demonstrate the computational efficiency of our algorithm compared to other state-of-the-art methods.