ICLR 2026 Papers

Multimodal deep learning (MDL) has achieved remarkable success across various domains, yet its practical deployment is often hindered by incomplete multimodal data. Existing incomplete MDL methods either discard missing modalities, risking the loss of valuable task-relevant information, or recover them, potentially introducing irrelevant noise, leading to the discarding-imputation dilemma. To address this dilemma, in this paper, we propose DyMo, a new inference-time dynamic modality selection framework that adaptively identifies and integrates reliable recovered modalities, fully exploring task-relevant information beyond the conventional discard-or-impute paradigm. Central to DyMo is a novel selection algorithm that maximizes multimodal task-relevant information for each test sample. Since direct estimation of such information at test time is intractable due to the unknown data distribution, we theoretically establish a connection between information and the task loss, which we compute at inference time as a tractable proxy. Building on this, a novel principled reward function is proposed to guide modality selection. In addition, we design a flexible multimodal network architecture compatible with arbitrary modality combinations, alongside a tailored training strategy for robust representation learning. Extensive experiments on diverse natural and medical image datasets show that DyMo significantly outperforms state-of-the-art incomplete/dynamic MDL methods across various missing-data scenarios. Our code is available at https://github.com//siyi-wind/DyMo.

Despite recent progress in time-series foundation models, challenges persist in improving representation learning and adapting to diverse downstream tasks. We introduce a General Time-series Model (GTM), which advances representation learning via a novel frequency-domain attention mechanism that captures time-granularity-aware features—an aspect overlooked in prior research. We further propose a novel pre-training strategy that unifies reconstruction and autoregressive objectives through a hybrid masking mechanism. Our pre-training strategy, combined with 2D positional encoding and span shuffling, enhances the robustness and generalization of representations. GTM is established as the first generative-task-agnostic model for time-series analysis, enabling seamless adaptation to various generative tasks without any task-specific modifications. Extensive experiments demonstrate that GTM consistently outperforms SOTA models on various generative tasks and achieves strong classification results with minimal adaptation. Furthermore, GTM exhibits clear scaling behavior, with accuracy improving as model size and pre-training data increase.

Federated fine-tuning is critical for improving the performance of large language models (LLMs) in handling domain-specific tasks while keeping training data decentralized and private. However, prior work has shown that clients' private data can actually be recovered via gradient inversion attacks. Existing privacy preservation techniques against such attacks typically entail performance degradation and high costs, making them ill-suited for clients with heterogeneous data distributions and device capabilities. In this paper, we propose SHE-LoRA, which integrates selective homomorphic encryption (SHE) and low-rank adaptation (LoRA) to enable efficient and privacy-preserving federated tuning of LLMs in cross-device environments. Based on model parameter sensitivity assessment, heterogeneous clients adaptively negotiate and select a subset of model parameters for homomorphic encryption. To ensure accurate model aggregation, we design a column-aware secure aggregation method and customized reparameterization techniques to align the aggregation results with the heterogeneous device capabilities of clients. Extensive experiments demonstrate that SHE-LoRA maintains performance comparable to non-private baselines, achieves strong resistance to state-of-the-art attacks, and significantly reduces communication overhead by 99.71\% and encryption time by 99.87\%, compared to HE baselines.

Geometry problem solving presents distinctive challenges in artificial intelligence, requiring exceptional multimodal comprehension and rigorous mathematical reasoning capabilities. Existing approaches typically fall into two categories: neural-based and symbolic-based methods, both of which exhibit limitations in reliability and interpretability. To address this challenge, we propose AutoGPS, a neuro-symbolic collaborative framework that solves geometry problems with concise, reliable, and human-interpretable reasoning processes. Specifically, AutoGPS employs a Multimodal Problem Formalizer (MPF) and a Deductive Symbolic Reasoner (DSR). The MPF utilizes neural cross-modal comprehension to translate geometry problems into structured formal language representations, with feedback from DSR collaboratively. The DSR takes the formalization as input and formulates geometry problem solving as a hypergraph expansion task, executing mathematically rigorous and reliable derivation to produce minimal and human-readable stepwise solutions. Extensive experimental evaluations demonstrate that AutoGPS achieves state-of-the-art performance on benchmark datasets. Furthermore, human stepwise-reasoning evaluation confirms AutoGPS's impressive reliability and interpretability, with 99\% stepwise logical coherence.

Language models generate reasoning sequentially, preventing them from decoupling irrelevant exploration paths during search. We introduce Tree-Structured Language Modeling (TSLM), which uses special tokens to encode branching structure, enabling models to generate and selectively expand multiple search paths within a single generation process. By training on complete search trees including both successful and failed attempts, TSLM learns to internalize systematic exploration without redundant recomputation of shared prefixes. TSLM achieves 100\% accuracy on Game of 24 (vs. 17\% sequential baseline), robust extrapolation to 20×20 grids (91.5\% vs. 42.7\% for Tree-of-Thought), and superior inference efficiency by avoiding the multiple independent forward passes required by external search methods. These results suggest a new paradigm of inference-time scaling for robust reasoning, demonstrating that supervised learning on complete tree-structured traces provides an efficient alternative for developing systematic exploration capabilities in language models.

Emotional Image Content Generation (EICG) aims to generate semantically clear and emotionally faithful images based on given emotion categories, with broad application prospects. While recent text-to-image diffusion models excel at generating concrete concepts, they struggle with the complexity of abstract emotions. There have also emerged methods specifically designed for EICG, but they excessively rely on word-level attribute labels for guidance, which suffer from semantic incoherence, ambiguity, and limited scalability. To address these challenges, we propose CoEmoGen, a novel pipeline notable for its semantic coherence and high scalability. Specifically, leveraging multimodal large language models (MLLMs), we construct high-quality captions focused on emotion-triggering content for context-rich semantic guidance. Furthermore, inspired by psychological insights, we design a Hierarchical Low-Rank Adaptation (HiLoRA) module to cohesively model both polarity-shared low-level features and emotion-specific high-level semantics. Extensive experiments demonstrate CoEmoGen’s superiority in emotional faithfulness and semantic coherence from quantitative, qualitative, and user study perspectives. To intuitively showcase scalability, we curate EmoArt, a large-scale dataset of emotionally evocative artistic images, providing endless inspiration for emotion-driven artistic creation. The dataset and code will be available on GitHub.

Pass@$k$ is widely used to report performance for LLM reasoning, but it often yields unstable, misleading rankings, especially when the number of trials (samples) is limited and compute is constrained. We present a principled Bayesian evaluation framework that replaces Pass@$k$ and average accuracy over $N$ trials (avg@$N$) with posterior estimates of a model's underlying success probability and credible intervals, yielding stable rankings and a transparent decision rule for differences. Evaluation outcomes are modeled as categorical (not just 0/1) with a Dirichlet prior, giving closed-form expressions for the posterior mean and uncertainty of any weighted rubric and enabling the use of prior evidence when appropriate. Theoretically, under a uniform prior, the Bayesian posterior mean is order-equivalent to average accuracy (Pass@$1$), explaining its empirical robustness while adding principled uncertainty. Empirically, in simulations with known ground-truth success rates and on AIME'24/'25, HMMT, and BrUMO, the Bayesian/avg procedure achieves faster convergence and greater rank stability than Pass@$k$ and recent variants, enabling reliable comparisons at far smaller sample counts. The framework clarifies when observed gaps are statistically meaningful (non-overlapping credible intervals) versus noise, and it naturally extends to graded, rubric-based evaluations. Together, these results recommend replacing Pass@$k$ for LLM evaluation and ranking with a posterior-based, compute-efficient protocol that unifies binary and non-binary evaluation while making uncertainty explicit.

Communication efficiency is a central challenge in distributed machine learning training, and message compression is a widely used solution. However, standard Error Feedback (EF) methods (Seide et al., 2014), though effective for smooth unconstrained optimization with compression (Karimireddy et al., 2019), fail in the broader and practically important setting of composite optimization, which captures, e.g., objectives consisting of a smooth loss combined with a non-smooth regularizer or constraints. The theoretical foundation and behavior of EF in the context of the general composite setting remain largely unexplored. In this work, we consider composite optimization with EF. We point out that the basic EF mechanism and its analysis no longer stand when a composite part is involved. We argue that this is because of a fundamental limitation in the method and its analysis technique. We propose a novel method that combines _Dual Averaging_ with EControl (Gao et al., 2024), a state-of-the-art variant of the EF mechanism, and achieves for the first time a strong convergence analysis for composite optimization with error feedback. Along with our new algorithm, we also provide a new and novel analysis template for inexact dual averaging method, which might be of independent interest. We also provide experimental results to complement our theoretical findings.

Surfaces are typically represented as meshes, which can be extracted from volumetric fields via meshing or optimized directly as surface parameterizations. Volumetric representations occupy 3D space and have a large effective receptive field along rays, enabling stable and efficient optimization via volumetric rendering; however, subsequent meshing often produces overly dense meshes and introduces accumulated errors. In contrast, pure surface methods avoid meshing but capture only boundary geometry with a single-layer receptive field, making it difficult to learn intricate geometric details and increasing reliance on priors (e.g., shading or normals). We bridge this gap by differentiably turning a surface representation into a volumetric one, enabling end-to-end surface reconstruction via volumetric rendering to model complex geometries. Specifically, we soften a mesh into multiple semi-transparent layers that remain differentiable with respect to the base mesh, endowing it with a controllable 3D receptive field. Combined with a splatting-based renderer and a topology-control strategy, our method can be optimized in about 20 minutes to achieve accurate surface reconstruction while substantially improving mesh quality.

Despite the popularity of the Transformer architecture, the standard algorithm for computing Attention suffers from quadratic time complexity in context length $n$. Alman and Song showed that when the head dimension $d = \Theta(\log n)$, subquadratic Attention is possible if and only if the inputs have small entries bounded by $B = o(\sqrt{\log n})$ in absolute values, under the Strong Exponential Time Hypothesis ($\mathsf{SETH}$). Equivalently, subquadratic Attention is possible if and only if the softmax is applied with high temperature for $d=\Theta(\log n)$. Running times of these algorithms depend exponentially on $B$ and thus they do not lead to even a polynomial-time algorithm outside the specific range of $B$. This naturally leads to the question: when can Attention be computed efficiently without strong assumptions on temperature? Are there fast attention algorithms that scale polylogarithmically with entry size $B$? In this work, we resolve this question and characterize when fast Attention for arbitrary temperatures is possible. First, for all constant $d = O(1)$, we give the first subquadratic $\tilde{O}(n^{2 - 1/d} \cdot \mathrm{polylog}(B))$ time algorithm for Attention with large $B$. Our result holds even for matrices with large head dimension if they have low rank. Combined with a reduction from Gradient Computation to Attention, we obtain a subquadratic algorithm for the full LLM training process. Furthermore, we show that any substantial improvement on our algorithm is unlikely. In particular, we show that even when $d = 2^{\Theta(\log^* n)}$, Attention requires $n^{2 - o(1)}$ time under $\mathsf{SETH}$. Finally, in the regime where $d = \mathrm{poly}(n)$, the standard algorithm requires $O(n^{2} d)$ time while previous lower bounds only ruled out algorithms with truly subquadratic time in $n$. We close this gap and show that the standard algorithm is optimal under popular fine-grained complexity assumptions.

As API access becomes a primary interface to large language models (LLMs), users often interact with black-box systems that offer little transparency into the deployed model. To reduce costs or maliciously alter model behaviors, API providers may discreetly serve quantized or fine-tuned variants, which can degrade performance and compromise safety. Detecting such substitutions is difficult, as users lack access to model weights and, in most cases, even output logits. To tackle this problem, we propose a rank-based uniformity test (RUT) that can verify the behavioral equality of a black-box LLM to a locally deployed authentic model. Our method is accurate, query-efficient, and avoids detectable query patterns, making it robust to adversarial providers that reroute or mix responses upon the detection of testing attempts. We evaluate the approach across diverse query domains and threat scenarios, including quantization, harmful fine-tuning, jailbreak prompts, full model substitution, showing that it consistently achieves superior detection power over prior methods under constrained query budgets.

The Chain of Action-Planning Thoughts (CoaT) paradigm has been shown to improve the reasoning performance of VLM-based mobile agents in GUI tasks. However, the scarcity of diverse CoaT trajectories limits the expressiveness and generalization ability of such agents. While self-training is commonly employed to address data scarcity, existing approaches either overlook the correctness of intermediate reasoning steps or depend on expensive process-level annotations to construct process reward models (PRM). To address the above problems, we propose an Iterative Preference Learning (IPL) that constructs a CoaT-tree through interative sampling, scores leaf nodes using rule-based reward, and backpropagates feedback to derive Thinking-level Direct Preference Optimization (T-DPO) pairs. To prevent overfitting during warm-up supervised fine-tuning, we further introduce a three-stage instruction evolution, which leverages GPT-4o to generate diverse Q&A pairs based on real mobile UI screenshots, enhancing both generality and layout understanding. Experiments on three standard Mobile GUI-agent benchmarks demonstrate that our agent MobileIPL outperforms strong baselines, including continual pretraining models such as OS-ATLAS and UI-TARS. It achieves state-of-the-art performance across three standard Mobile GUI-Agents benchmarks and shows strong generalization to out-of-domain scenarios.

Machine-Learned Interatomic Potentials (MLIPs) require vast amounts of atomic structure data to learn forces and energies, and their performance continues to improve with training set size. Meanwhile, the even greater quantities of accompanying data in the Hamiltonian matrix $\mathbf{H}$ behind these datasets has so far gone unused for this purpose. Here, we provide a recipe for integrating the orbital interaction data within $\mathbf{H}$ towards training pipelines for atomic-level properties. We first introduce HELM ('Hamiltonian-trained Electronic-structure Learning for Molecules'), a state-of-the-art Hamiltonian prediction model which bridges the gap between Hamiltonian prediction and universal MLIPs by scaling to $\mathbf{H}$ of structures with 100+ atoms, high elemental diversity, and large basis sets including diffuse functions. To accompany HELM, we release a curated Hamiltonian matrix dataset, 'OMol\_CSH\_58k', with unprecedented elemental diversity (58 elements), molecular size (up to 150 atoms), and basis set (def2-TZVPD). Finally, we introduce 'Hamiltonian pretraining' as a method to extract meaningful descriptors of atomic environments even from a limited number atomic structures, and repurpose this shared embedding space to improve performance on energy-prediction in low-data regimes. Our results highlight the use of electronic interactions as a rich and transferable data source for representing chemical space.

Predicting individualized potential outcomes in sequential decision-making is central for optimizing therapeutic decisions in personalized medicine (e.g., which dosing sequence to give to a cancer patient). However, predicting potential out- comes over long horizons is notoriously difficult. Existing methods that break the curse of the horizon typically lack strong theoretical guarantees such as orthogonality and quasi-oracle efficiency. In this paper, we revisit the problem of predicting individualized potential outcomes in sequential decision-making (i.e., estimating Q-functions in Markov decision processes with observational data) through a causal inference lens. In particular, we develop a comprehensive theoretical foundation for meta-learners in this setting with a focus on beneficial theoretical properties. As a result, we yield a novel meta-learner called DRQ-learner and establish that it is: (1) doubly robust (i.e., valid inference under model misspecification), (2) Neyman-orthogonal (i.e., insensitive to first-order estimation errors in the nuisance functions), and (3) achieves quasi-oracle efficiency (i.e., behaves asymptotically as if the ground-truth nuisance functions were known). Our DRQ-learner is applicable to settings with both discrete and continuous state spaces. Further, our DRQ-learner is flexible and can be used together with arbitrary machine learning models (e.g., neural networks). We validate our theoretical results through numerical experiments, thereby showing that our meta-learner outperforms state-of-the-art baselines.

Physics-Informed Neural Networks (PINNs) have emerged as a powerful tool for solving PDEs, yet training is difficult due to a multi-objective loss that couples PDE residuals, initial/boundary conditions, and auxiliary physics terms. Existing remedies often yield infeasible scaling factors or conflicting update directions, resulting in degraded performance. In this paper, we show that training PINNs requires jointly considering feasible scaling factors and a non-conflict direction. Through a geometric analysis of per-loss gradients, we define the $\textit{harmonized cone}$ as the intersection of their primal and dual cones, which characterizes directions that are simultaneously feasible and non-conflicting. Building on this, we propose $HARMONIC$ (HARMONIzed Cone gradient descent), a training procedure that computes updates within the harmonized cone by leveraging the Double Description method to aggregate extreme rays. Theoretically, we establish convergence guarantees in nonconvex settings and prove the existence of a nontrivial harmonized cone. Across standard PDE benchmarks, $HARMONIC$ generally outperforms state-of-the-art methods while ensuring feasible and non-conflict updates.

Rotary Position Embeddings (RoPE) are widely adopted in LLMs, and it is commonly believed that larger base frequencies $\theta$ yield better long-context performance. In this paper, we show that a high-norm RoPE dimension, referred to as the “frequency band,” consistently emerges across multiple models, and we focus on this band to reveal the trade-offs inherent in RoPE. We find that replacing the RoPE dimensions below the frequency band with NoPE during inference has little effect on performance, indicating that these lower-frequency dimensions are only weakly utilized. We further find that the location of the frequency band depends on the RoPE base $\theta$ and the training sequence length. Moreover, the band forms early during pre-training and persists even after context extension via position interpolation. Notably, we show that aligning $\theta$ with the training length shifts the band toward lower frequencies and improves extrapolation, whereas increasing $\theta$ enhances interpolation but reduces extrapolation, revealing a clear trade-off between interpolation and extrapolation. We believe this work is a step toward a sharper understanding of positional embeddings in LLMs, with falsifiable diagnostics and practical guidance for choosing $\theta$ that support scaling to longer contexts.

Unified multimodal Large Language Models (MLLMs) hold great promise for seamlessly integrating understanding and generation. However, monolithic autoregressive architectures, despite their elegance and conversational fluency, suffer from a fundamental semantic–structural conflict: optimizing for low-level reconstructability in generation leads to catastrophic forgetting of high-level semantic understanding. We present ORION, a unified framework that resolves this conflict through Decoupling and Alignment. A non-linear vision head decouples structural pressures from shared representations, while a novel Representation Consistency Loss explicitly aligns semantics during generation. Together with a curated progressive training recipe and high-quality multimodal data, our method enables balanced optimization of both capabilities. Built purely on a monolithic autoregressive backbone without task-specific separate parameters, ORION achieves performance on par with or exceeding recent state-of-the-art unified models that rely on more complex designs. These results validate monolithic autoregression as a simple, effective, and competitive path toward truly integrated multimodal intelligence.

Post-training of large language models involves a fundamental trade-off between supervised fine-tuning (SFT), which efficiently mimics demonstrations but tends to memorize, and reinforcement learning (RL), which achieves better generaliza- tion at higher computational cost. Dynamic Fine-Tuning (DFT) recently emerged as a promising middle ground, reweighting SFT objectives with token probabili- ties and achieving improvements in certain reasoning domains, though it exhibits instability in other tasks. We provide a analysis of DFT through the reward- weighted regression (RWR) framework, revealing that it corresponds to a spe- cific auxiliary distribution choice that yields provably tighter RL bounds than standard SFT. However, our analysis also uncovers a critical limitation: this con- struction lacks distributional anchoring, leading to progressive drift that under- mines training stability. To address this, we propose Anchored Supervised Fine- Tuning (ASFT), which augments DFT’s reweighting with lightweight KL regu- larization to preserve tightness while ensuring stability. Empirically, ASFT con- sistently outperforms both SFT and DFT across mathematical reasoning, medical knowledge grounding, and code generation, achieving substantial improvements with minimal computational overhead. Our RWR framework provides a system- atic lens for understanding post-training methods and demonstrates that principled theoretical analysis leads to both stronger guarantees and practical gains.

Large reasoning models (LRMs) excel at a long chain of reasoning but often fail to faithfully follow instructions regarding output format, constraints, or specific requirements. We investigate whether this gap can be closed by integrating an instruction-tuned model (ITM) into an LRM. Analyzing their differences in parameter space, namely task vectors, we find that their principal subspaces are nearly orthogonal across key modules, suggesting a lightweight merging with minimal interference. However, we also demonstrate that naïve merges are fragile because they overlook the output format mismatch between LRMs (with explicit *thinking* and *response* segments) and ITMs (answers-only). We introduce **RAIN-Merging** (Reasoning-Aware Instruction-attention guided Null-space projection Merging), a gradient-free method that integrates instruction following while preserving thinking format and reasoning performance. First, with a small reasoning calibration set, we project the ITM task vector onto the null space of forward features at thinking special tokens, which preserves the LRM's structured reasoning mechanisms. Second, using a small instruction calibration set, we estimate instruction attention to derive module-specific scaling that amplifies instruction-relevant components and suppresses leakage. Across four instruction-following benchmarks and nine reasoning & general capability benchmarks, RAIN-Merging substantially improves instruction adherence while maintaining reasoning quality. The gains are consistent across model scales and architectures, translating to improved performance in agent settings.