ICLR 2026 Papers

A central goal of cognitive modeling is to develop models that not only predict human behavior but also provide insight into the underlying cognitive mechanisms. While neural network models trained on large-scale behavioral data often achieve strong predictive performance, they typically fall short in offering interpretable explanations of the cognitive processes they capture. In this work, we explore the potential of pretrained large language models (LLMs) to serve as dual-purpose cognitive models--capable of both accurate prediction and interpretable explanation in natural language. Specifically, we employ reinforcement learning with outcome-based rewards to guide LLMs toward generating explicit reasoning traces for explaining human risky choices. Our findings demonstrate that this approach produces high-quality explanations alongside strong quantitative predictions of human decisions.

Human vision combines low-resolution “gist” information from the visual periphery with sparse but high-resolution information from fixated locations to construct a coherent understanding of a visual scene. In this paper, we introduce MetamerGen, a tool for generating scenes that are aligned with latent human scene representations. MetamerGen is a latent diffusion model that combines peripherally obtained scene gist information with information obtained from scene-viewing fixations to generate image metamers for what humans understand after viewing a scene. Generating images from both high and low resolution (i.e. “foveated”) inputs constitutes a novel image-to-image synthesis problem, which we tackle by introducing a dual-stream representation of the foveated scenes consisting of DINOv2 tokens that fuse detailed features from fixated areas with peripherally degraded features capturing scene context. To evaluate the perceptual alignment of MetamerGen generated images to latent human scene representations, we conducted a same-different behavioral experiment where participants were asked for a “same” or “different” response between the generated and the original image. With that, we identify scene generations that are indeed metamers for the latent scene representations formed by the viewers. MetamerGen is a powerful tool for understanding scene understanding. Our proof-of-concept analyses uncovered specific features at multiple levels of visual processing that contributed to human judgments. While it can generate metamers even conditioned on random fixations, we find that high-level semantic alignment most strongly predicts metamerism when the generated scenes are conditioned on viewers’ own fixated regions.

Neuroscientists and computer vision scientists alike have relied on model-brain alignment benchmarks to find parallels between artificial and biological vision systems. These benchmarks rank models according to alignment measures (AM) such as representational similarity analysis (RSA) and linear predictivity (LP). However, recent works have revealed a number of problems with these rankings, such as their sensitivity towards the choice of AM, raising the deeper conceptual question of what it means for a model to be “brain-aligned.” Here, we introduce the notion of *alignment patterns* - characteristic patterns of alignment between brain regions-and posit that models should reproduce these patterns in order to be considered brain-aligned. First, we apply a standard benchmarking pipeline to a broad spectrum of vision models on the BOLD-Moments video fMRI dataset across visual regions of interest (ROIs). We find that, while this pipeline can identify nominally best predictive models, many other models fall within subject-level variability and are therefore practically equivalent in terms of brain alignment. We then apply our complementary relational criterion: a ROI-aligned model should reproduce that ROIs cross-region alignment pattern. We find that, while these patterns are highly stable across brains of different subjects, even top-ranked models fail to capture them. Notably, models that appear practically equivalent in predictive accuracy diverge sharply under the relational criterion, revealing both the limitations with respect to discriminative power of existing evaluation pipelines, as well as alignment pattern analysis as a way of increasing this discriminative power. Finally, we argue for a principled distinction between brain-predictivity and brain-alignment. For applications such as digital twins, prediction performance may suffice; but for understanding the inductive biases of the visual system, models should satisfy stricter distributional and relational criteria.

Generalization—the ability to perform well beyond the training context—is a hallmark of biological and artificial intelligence, yet anticipating unseen failures remains a central challenge. Conventional approaches often take a bottom-up mechanistic route by reverse-engineering interpretable features or circuits to build explanatory models. However, they provide little top-down guidance such as system-level measurements that predict and prevent failures. Here we propose a complementary diagnostic paradigm for studying generalization failures. Rather than mapping out detailed internal mechanisms, we use task-relevant measures to probe structure–function links, identify prognostic indicators, and test predictions in real-world settings. In image classification, we find that task-relevant geometric properties of in-distribution (ID) object manifolds consistently signal poor out-of-distribution (OOD) generalization. In particular, reductions in two geometric measures—effective manifold dimensionality and utility—predict weaker OOD performance across diverse architectures, optimizers, and datasets. We apply this finding to transfer learning with ImageNet-pretrained models, each available with multiple weight variants. We consistently find that the same geometric patterns predict OOD transfer performance more reliably than ID accuracy. This work demonstrates that representational geometry can expose hidden vulnerabilities, offering more robust guidance for model selection.

Across many domains of science, stochastic models are an essential tool to understand the mechanisms underlying empirically observed data. Models can be of different levels of detail and accuracy, with models of high-fidelity (i.e., high accuracy) to the phenomena under study being often preferable. However, inferring parameters of high-fidelity models via simulation-based inference is challenging, especially when the simulator is computationally expensive. We introduce MF-(TS)NPE, a multifidelity approach to neural posterior estimation that uses transfer learning to leverage inexpensive low-fidelity simulations to efficiently infer parameters of high-fidelity simulators. MF-(TS)NPE applies the multifidelity scheme to both amortized and non-amortized neural posterior estimation. We further improve simulation efficiency by introducing A-MF-TSNPE, a sequential variant that uses an acquisition function targeting the predictive uncertainty of the density estimator to adaptively select high-fidelity parameters. On established benchmark and neuroscience tasks, our approaches require up to two orders of magnitude fewer high-fidelity simulations than current methods, while showing comparable performance. Overall, our approaches open new opportunities to perform efficient Bayesian inference on computationally expensive simulators.

Historically, neuroscience has progressed by fragmenting into specialized domains, each focusing on isolated modalities, tasks, or brain regions. While fruitful, this approach hinders the development of a unified model of cognition. Here, we introduce TRIBE, the first deep neural network trained to predict brain responses to stimuli across multiple modalities, cortical areas and individuals. By combining the pretrained representations of text, audio and video foundational models and handling their time-evolving nature with a transformer, our model can precisely model the spatial and temporal fMRI responses to videos, achieving the first place in the Algonauts 2025 brain encoding competition with a significant margin over competitors. Ablations show that while unimodal models can reliably predict their corresponding cortical networks (e.g. visual or auditory networks), they are systematically outperformed by our multimodal model in high-level associative cortices. Currently applied to perception and comprehension, our approach paves the way towards building an integrative model of representations in the human brain. Our code is available at \url{https://anonymous.4open.science/r/algonauts-2025-C63E}.

The human brain is the most efficient and versatile system for processing dynamic visual input. By comparing representations from deep video models to brain activity, we can gain insights into mechanistic solutions for effective video processing, important to better understand the brain and to build better models. Current works in model-brain alignment primarily focus on fMRI measurements, leaving open questions about fine-grained dynamic processing. Here, we introduce the first large-scale benchmarking of both static and temporally-integrating deep neural networks on brain alignment to dynamic electroencephalography (EEG) recordings of short natural videos. We analyze 100+ models across the axes of temporal integration, classification task, architecture and pretraining using our proposed Cross-Temporal Representational Similarity Analysis (CT-RSA), which matches the best time-unfolded model features to dynamically evolving brain responses, distilling $10^7$ alignment scores. Our findings reveal novel insights on how continuous visual input is integrated in the brain, beyond the standard temporal processing hierarchy from low to high-level representations. After initial alignment to hierarchical static object processing, responses in posterior electrodes best align to mid-level temporally-integrative action features, showing high temporal correspondence to feature timings. In contrast, responses in frontal electrodes best align with high-level static action representations and show no temporal correspondence to the video. Additionally, temporally-integrating state space models show superior alignment to intermediate posterior activity, in which self-supervised pretraining is also beneficial. We draw a metaphor to a dynamic mixture of expert models for the changing neural preference in tasks and temporal integration reflected in the alignment to different model types across time. We posit that a single best-aligned model would need task-independent training to combine these capacities as well as an architecture that supports dynamic switching.

Dual-arm robots play a crucial role in improving efficiency and flexibility in complex multitasking scenarios. While existing methods have achieved promising results in task planning, they often fail to fully optimize task parallelism, limiting the potential of dual-arm collaboration. To address this issue, we propose RoboPARA, a novel large language model (LLM)-driven framework for dual-arm task parallelism planning. RoboPARA employs a two-stage process: (1) Dependency Graph-based Planning Candidates Generation, which constructs directed acyclic graphs (DAGs) to model task dependencies and eliminate redundancy, and (2) Graph Re-Traversal-based Dual-Arm Parallel Planning, which optimizes DAG traversal to maximize parallelism while maintaining task coherence. In addition, we introduce the Cross-Scenario Dual-Arm Parallel Task dataset (X-DAPT dataset), the first dataset specifically designed to evaluate dual-arm task parallelism across diverse scenarios and difficulty levels. Extensive experiments demonstrate that RoboPARA significantly outperforms existing planning methods, achieving higher efficiency and reliability, particularly in complex task combinations.Our code is publicly available at https://github.com/AiDuanshiying/RoboPARA.

We propose NEURONA, a modular neuro-symbolic framework for fMRI decoding and concept grounding in neural activity. Leveraging image- and video-based fMRI question-answering datasets, NEURONA learns to decode interacting concepts from visual stimuli from patterns of fMRI signals, integrating symbolic reasoning and compositional execution with fMRI grounding across brain regions. We demonstrate that incorporating structure into the decoding pipeline improves both decoding accuracy and generalization performance. NEURONA shows that modeling the compositional structure of concepts through hierarchical predicate-argument dependencies enables more precise decoding from fMRI, highlighting neuro-symbolic frameworks as promising tools for neural decoding.

Learning distributions over permutations is a fundamental problem in machine learning, with applications in ranking, combinatorial optimization, structured prediction, and data association. Existing methods rely on mixtures of parametric families or neural networks with expensive variational inference procedures. In this work, we propose a novel approach that leverages alternative representations for permutations, including Lehmer codes, Fisher-Yates draws, and Insertion-Vectors. These representations form a bijection with the symmetric group, allowing for unconstrained learning using conventional deep learning techniques, and can represent any probability distribution over permutations. Our approach enables a trade-off between expressivity of the model family and computational requirements. In the least expressive and most computationally efficient case our method subsumes previous families of well established probabilistic models over permutations, including Mallow's and the Repeated Insertion Model. Experiments indicate our method significantly outperforms current approaches on the jigsaw puzzle benchmark, a common task for permutation learning. However, we argue this benchmark is limited in its ability to assess learning probability distributions, as the target is a delta distribution (i.e., a single correct solution exists). We therefore propose two additional benchmarks: learning cyclic permutations and re-ranking movies based on user preference. We show that our method learns non-trivial distributions even in the least expressive mode, while traditional models fail to even generate valid permutations in this setting.

The emergence of large-scale neural activity datasets provides new opportunities to enhance the generalization of neural decoding models. However, it remains a practical challenge to design neural decoders for fully implantable brain-machine interfaces (iBMIs) that achieve high accuracy, strong generalization, and low computational cost, which are essential for reliable, long-term deployment under strict power and hardware constraints. To address this, we propose the Re-parametrized self-Attention Spiking Neural Network (RAT SNN) with a cross-condition pretraining framework to integrate neural variability and adapt to stringent computational constraints. Specifically, our approach introduces multi-timescale dynamic spiking neurons to capture the complex temporal variability of neural activity. We refine spike-driven attention within a lightweight, re-parameterized architecture that enables accumulate-only operations between spiking neurons without sacrificing decoding accuracy. Furthermore, we develop a stepwise training pipeline to systematically integrate neural variability across conditions, including neural temporal drift, subjects and tasks. Building on these advances, we construct a pretrained model capable of rapid generalization to unseen conditions with high performance. We demonstrate that RAT SNN consistently outperforms leading SNN baselines and matches the accuracy of state-of-the-art artificial neural network (ANN) models with much lower computational cost under both seen and unseen conditions across various datasets. Collectively, pretrained-RAT SNN represents a high-performance, highly generalizable, and energy-efficient prototype of an SNN foundation model for fully iBMI. Code is available at [RAT SNN GitHub](https://github.com/YangYangYangYuqi/RAT-SNN).

Continual Learning (CL) requires a model to learn multiple tasks in sequence while maintaining both stability—preserving knowledge from previously learned tasks, and plasticity—effectively learning new tasks. Orthogonal projection has emerged as an effective and popular paradigm in CL, where it partitions the gradient space of previously learned tasks into two orthogonal subspaces: a primary subspace and a minor subspace. New tasks are learned effectively within the minor subspace, thereby reducing interference with previously acquired knowledge. However, existing orthogonal projection methods struggle to achieve an optimal balance between plasticity and stability, as it is hard to appropriately partition the gradient space. In this work, we consider a continual learning paradigm based on Low-Rank Adaptation (LoRA), which has gained considerable attention due to its efficiency and wide applicability, and propose a novel approach for continual learning, called SplitLoRA. We first provide a theoretical analysis of how subspace partitioning affects model stability and plasticity. Informed by this analysis, we then introduce an effective method that derives the optimal partition of the gradient space for previously learned tasks. This approach effectively balances stability and plasticity in continual learning. Experimental results on multiple datasets demonstrate that the proposed method achieves state-of-the-art performance. The code is available at https://anonymous.4open.science/r/SplitLoRA-FB45.

Symmetry-aware methods for machine learning, such as data augmentation and equivariant architectures, encourage correct model behavior on all transformations (e.g. rotations or permutations) of the original dataset. These methods can impart improved generalization and sample efficiency, under the assumption that the transformed datapoints are highly probable, or "important", under the test distribution. In this work, we develop a method for critically evaluating this assumption. In particular, we quantify the amount of anisotropy, or symmetry-breaking, in a dataset, via a two-sample neural classifier test that distinguishes between the original dataset and its randomly augmented equivalent. We validate our metric on synthetic datasets, and then use it to uncover surprisingly high degrees of anisotropy in several benchmark point cloud datasets. In theory, this kind of distributional symmetry-breaking can actually preclude invariant methods from performing optimally even when the underlying labels truly are invariant, as we show for invariant ridge regression in the infinite feature limit. In practice, we find that the implication for symmetry-aware methods is dataset-dependent: equivariant methods still impart benefits on some anisotropic datasets, but not others. Overall, these findings suggest that understanding equivariance — both when it works, and why — may require rethinking symmetry biases in the data.

Full-graph and mini-batch Graph Neural Network (GNN) training approaches have distinct system design demands, making it crucial to choose the appropriate approach to develop. A core challenge in comparing these two GNN training approaches lies in characterizing their model performance (i.e., convergence and generalization) and computational efficiency. While a batch size has been an effective lens in analyzing such behaviors in deep neural networks (DNNs), GNNs extends this lens by introducing a fan-out size, as full-graph training can be viewed as mini-batch training with the largest possible batch size and fan-out size. However, the impact of the batch and fan-out size for GNNs remains insufficiently explored. To this end, this paper systematically compares full-graph vs. mini-batch training of GNNs through empirical and theoretical analyses from the view of the batch size and fan-out size. Our key contributions include: 1) We provide a novel generalization analysis using the Wasserstein distance to study the impact of the graph structure, especially the fan-out size. 2) We uncover the non-isotropic effects of the batch size and the fan-out size in GNN convergence and generalization, providing practical guidance for tuning these hyperparameters under resource constraints. Finally, full-graph training does not always yield better model performance or computational efficiency than well-tuned smaller mini-batch settings. The implementation can be found in the anonymous link: https://anonymous.4open.science/r/GNN_fullgraph_minibatch_training-8040/README.md.

Intelligent systems must form internal representations that support both broad generalization and precise identification. Here, we show that these two goals are fundamentally in tension with one another. We derive closed-form expressions proving that any model whose representations have a finite semantic resolution, impairing long-range similarity computations, must lie on a universal Pareto front linking its probability of correct generalization $p_S$ and identification $p_I$. We extend this analysis to general input spaces and to parallel processing scenarios, predicting a sharp $1/n$ collapse in the capacity of processing multiple inputs at the same time. A minimal ReLU network reproduces these laws: a resolution boundary emerges during learning, and empirical $(p_S,p_I)$ trajectories closely match the theory for linearly decaying similarity. Finally, we show that the same limits appear in far more complex systems, including a convolutional neural network and state-of-the-art vision–language models, indicating that learned finite-resolution similarity are broad and foundational informational constraints rather than toy-model artifacts. Together, these results provide a precise theory of the generalization–identification tradeoff and clarify how semantic resolution shapes the representational capacity of deep networks and brains alike.

Copulas are a fundamental tool for modelling multivariate dependencies in data, forming the method of choice in diverse fields and applications. However, the adoption of existing models for multimodal and high-dimensional dependencies is hindered by restrictive assumptions and poor scaling. In this work, we present methods for modelling copulas based on the principles of diffusions and flows. We design two processes that progressively forget inter-variable dependencies while leaving dimension-wise distributions unaffected, provably defining valid copulas at all times. We show how to obtain copula models by learning to remember the forgotten dependencies from each process, theoretically recovering the true copula at optimality. The first instantiation of our framework focuses on direct density estimation, while the second specialises in expedient sampling. Empirically, we demonstrate the superior performance of our proposed methods over state-of-the-art copula approaches in modelling complex and high-dimensional dependencies from scientific datasets and images. Our work enhances the representational power of copula models, empowering applications and paving the way for their adoption on larger scales and more challenging domains.

Despite their impressive performance on computer vision benchmarks, Deep Neural Networks (DNNs) still fall short of adequately modeling human visual behavior, as measured by error consistency and shape bias. Recent work hypothesized that behavioral alignment can be drastically improved through generative - rather than discriminative - classifiers, with far-reaching implications for models of human vision. Here, we instead show that the increased alignment of generative models can be largely explained by a seemingly innocuous resizing operation in the generative model which effectively acts as a low-pass filter. In a series of controlled experiments, we show that removing high-frequency spatial information from discriminative models like CLIP drastically increases their behavioral alignment. Simply blurring images at test-time - rather than training on blurred images - achieves a new state-of-the-art score on the model-vs-human benchmark, halving the current alignment gap between DNNs and human observers. Furthermore, low-pass filters are likely optimal, which we demonstrate by directly optimizing filters for alignment. To contextualize the performance of optimal filters, we compute the frontier of all possible pareto-optimal solutions to the benchmark, which was formerly unknown. We explain our findings by observing that the frequency spectrum of optimal Gaussian filters roughly matches the spectrum of band-pass filters implemented by the human visual system. We show that the contrast sensitivity function, describing the inverse of the contrast threshold required for humans to detect a sinusoidal grating as a function of spatiotemporal frequency, is approximated well by Gaussian filters of a specific width.

Recent work has demonstrated that complex visual stimuli can be decoded from human brain activity using deep generative models, helping brain science researchers interpret how the brain represents real-world scenes. However, most current approaches leverage mapping brain signals into intermediate image or text feature spaces before guiding the generative process, masking the effect of contributions from different brain areas on the final reconstruction output. In this work, we propose \textit{NeuroAdapter}, a visual decoding framework that directly conditions a latent diffusion model on brain representations, bypassing the need for intermediate feature spaces. Our method demonstrates competitive visual reconstruction quality on public fMRI datasets compared to prior work, while providing greater transparency into how brain signals shape the generation process. To this end, we contribute an Image–Brain BI-directional interpretability framework (\textit{IBBI}) which investigates cross-attention mechanisms across diffusion denoising steps to reveal how different cortical areas influence the unfolding generative trajectory. Our results highlight the potential of end-to-end brain-to-image decoding and establish a path toward interpreting diffusion models through the lens of visual neuroscience.

Graph Neural Networks (GNNs) excel at learning from pairwise interactions but often overlook multi-way and hierarchical relationships. Topological Deep Learning (TDL) addresses this limitation by leveraging combinatorial topological spaces, such as simplicial or cell complexes. However, existing TDL models are restricted to undirected settings and fail to capture the higher-order directed patterns prevalent in many complex systems, e.g., brain networks, where such interactions are both abundant and functionally significant. To fill this gap, we introduce Semi-Simplicial Neural Networks (SSNs), a principled class of TDL models that operate on semi-simplicial sets---combinatorial structures that encode directed higher-order motifs and their directional relationships. To enhance scalability, we propose Routing-SSNs, which dynamically select the most informative relations in a learnable manner. We theoretically characterize SSNs by proving they are strictly more expressive than standard graph and TDL models, and they are able to recover several topological descriptors. Building on previous evidence that such descriptors are critical for characterizing brain activity, we then introduce a new principled framework for brain dynamics representation learning centered on SSNs. Empirically, we test SSNs on 4 distinct tasks across 13 datasets, spanning from brain dynamics to node classification, showing competitive performance. Notably, SSNs consistently achieve state-of-the-art performance on brain dynamics classification tasks, outperforming the second-best model by up to 27\%, and message passing GNNs by up to 50\% in accuracy. Our results highlight the potential of topological models for learning from structured brain data, establishing a unique real-world case study for TDL. Code and data are uploaded as supplementary material.