ICLR 2025 论文列表

Why do biological and artificial neurons sometimes modularise, each encoding a single meaningful variable, and sometimes entangle their representation of many variables? In this work, we develop a theory of when biologically inspired networks---those that are nonnegative and energy efficient---modularise their representation of source variables (sources). We derive necessary and sufficient conditions on a sample of sources that determine whether the neurons in an optimal biologically-inspired linear autoencoder modularise. Our theory applies to any dataset, extending far beyond the case of statistical independence studied in previous work. Rather we show that sources modularise if their support is ``sufficiently spread''. From this theory, we extract and validate predictions in a variety of empirical studies on how data distribution affects modularisation in nonlinear feedforward and recurrent neural networks trained on supervised and unsupervised tasks. Furthermore, we apply these ideas to neuroscience data, showing that range independence can be used to understand the mixing or modularising of spatial and reward information in entorhinal recordings in seemingly conflicting experiments. Further, we use these results to suggest alternate origins of mixed-selectivity, beyond the predominant theory of flexible nonlinear classification. In sum, our theory prescribes precise conditions on when neural activities modularise, providing tools for inducing and elucidating modular representations in brains and machines.

Reconstructing human dynamic vision from brain activity is a challenging task with great scientific significance. Although prior video reconstruction methods have made substantial progress, they still suffer from several limitations, including: (1) difficulty in simultaneously reconciling semantic (e.g. categorical descriptions), structure (e.g. size and color), and consistent motion information (e.g. order of frames); (2) low temporal resolution of fMRI, which poses a challenge in decoding multiple frames of video dynamics from a single fMRI frame; (3) reliance on video generation models, which introduces ambiguity regarding whether the dynamics observed in the reconstructed videos are genuinely derived from fMRI data or are hallucinations from generative model. To overcome these limitations, we propose a two-stage model named Mind-Animator. During the fMRI-to-feature stage, we decouple semantic, structure, and motion features from fMRI. Specifically, we employ fMRI-vision-language tri-modal contrastive learning to decode semantic feature from fMRI and design a sparse causal attention mechanism for decoding multi-frame video motion features through a next-frame-prediction task. In the feature-to-video stage, these features are integrated into videos using an inflated Stable Diffusion, effectively eliminating external video data interference. Extensive experiments on multiple video-fMRI datasets demonstrate that our model achieves state-of-the-art performance. Comprehensive visualization analyses further elucidate the interpretability of our model from a neurobiological perspective. Project page: https://mind-animator-design.github.io/.

The Gromov–Wasserstein (GW) problem, a variant of the classical optimal transport (OT) problem, has attracted growing interest in the machine learning and data science communities due to its ability to quantify similarity between measures in different metric spaces. However, like the classical OT problem, GW imposes an equal mass constraint between measures, which restricts its application in many machine learning tasks. To address this limitation, the partial Gromov-Wasserstein (PGW) problem has been introduced. It relaxes the equal mass constraint, allowing the comparison of general positive Radon measures. Despite this, both GW and PGW face significant computational challenges due to their non-convex nature. To overcome these challenges, we propose the linear partial Gromov-Wasserstein (LPGW) embedding, a linearized embedding technique for the PGW problem. For $K$ different metric measure spaces, the pairwise computation of the PGW distance requires solving the PGW problem $\mathcal{O}(K^2)$ times. In contrast, the proposed linearization technique reduces this to $\mathcal{O}(K)$ times. Similar to the linearization technique for the classical OT problem, we prove that LPGW defines a valid metric for metric measure spaces. Finally, we demonstrate the effectiveness of LPGW in practical applications such as shape retrieval and learning with transport-based embeddings, showing that LPGW preserves the advantages of PGW in partial matching while significantly enhancing computational efficiency. The code is available at https://github.com/mint-vu/Linearized_Partial_Gromov_Wasserstein.

Personalized federated learning (PFL) achieves high performance by assuming clients only meet test data locally, which does not meet many generic federated learning (GFL) scenarios. In this work, we theoretically show that PMs can be used to enhance GFL with a new learning problem named Selective FL (SFL), which involves optimizing PFL and model selection. However, storing and selecting whole models requires impractical computation and communication costs. To practically solve SFL, inspired by model components that attempt to edit a sub-model for specific purposes, we design an efficient and effective framework named Hot-Pluggable Federated Learning (HPFL). Specifically, clients individually train personalized plug-in modules based on a shared backbone, and upload them with a plug-in marker on the server modular store. In inference stage, an accurate selection algorithm allows clients to identify and retrieve suitable plug-in modules from the modular store to enhance their generalization performance on the target data distribution. Furthermore, we provide differential privacy protection during the selection with theoretical guarantee. Our comprehensive experiments and ablation studies demonstrate that HPFL significantly outperforms state-of-the-art GFL and PFL algorithms. Additionally, we empirically show HPFL's remarkable potential to resolve other practical FL problems such as continual federated learning and discuss its possible applications in one-shot FL, anarchic FL, and FL plug-in market. Our work is the first attempt towards improving GFL performance through a selecting mechanism with personalized plug-ins.

Sleep staging is critical for assessing sleep quality and tracking health. Polysomnography (PSG) provides comprehensive multimodal sleep-related information, but its complexity and impracticality limit its practical use in daily and ubiquitous monitoring. Conversely, unimodal devices offer more convenience but less accuracy. Existing multimodal learning paradigms typically assume that the data types remain consistent between the training and testing phases. This makes it challenging to leverage information from other modalities in ubiquitous scenarios (e.g., at home) where only one modality is available. To address this issue, we introduce a novel framework for ubiquitous Sleep staging via Supervised Multimodal Coordination, called SleepSMC. To capture category-related consistency and complementarity across modality-level instances, we propose supervised modality-level instance contrastive coordination. Specifically, modality-level instances within the same category are considered positive pairs, while those from different categories are considered negative pairs. To explore the varying reliability of auxiliary modalities, we calculate uncertainty estimates based on the variance in confidence scores for correct predictions during multiple rounds of random masks. These uncertainty estimates are employed to assign adaptive weights to multiple auxiliary modalities during contrastive learning, ensuring that the primary modality learns from high-quality, category-related features. Experimental results on four public datasets, ISRUC-S3, MASS-SS3, Sleep-EDF-78, and ISRUC-S1, show that SleepSMC achieves state-of-the-art cross-subject performance. SleepSMC significantly improves performance when only one modality is present during testing, making it suitable for ubiquitous sleep monitoring.

Visual brain decoding aims to decode visual information from human brain activities. Despite the great progress, one critical limitation of current brain decoding research lies in the lack of generalization capability to unseen subjects. Prior work typically focuses on decoding brain activity of individuals based on the observation that different subjects exhibit different brain activities, while it remains unclear whether brain decoding can be generalized to unseen subjects. This study aims to answer this question. We first consolidate an image-fMRI dataset consisting of stimulus-image and fMRI-response pairs, involving 177 subjects in the movie-viewing task of the Human Connectome Project (HCP). This dataset allows us to investigate the brain decoding performance with the increase of participants. We then present a learning paradigm that applies uniform processing across all subjects, instead of employing different network heads or tokenizers for individuals as in previous methods, so that we can accommodate a large number of subjects to explore the generalization capability across different subjects. A series of experiments are conducted and we have the following findings. First, the network exhibits clear generalization capabilities with the increase of training subjects. Second, the generalization capability is common to popular network architectures (MLP, CNN and Transformer). Third, the generalization performance is affected by the similarity between subjects. Our findings reveal the inherent similarities in brain activities across individuals. With the emergence of larger and more comprehensive datasets, it is possible to train a brain decoding foundation model in the future. Codes and models can be found at https://github.com/Xiangtaokong/TGBD}{https://github.com/Xiangtaokong/TGBD.

EEG-based connectomes offer a low-cost and portable method to identify brain disorders using deep learning. With the growing interest in model interpretability and transparency, explainable artificial intelligence (XAI) is widely applied to understand the decision of deep learning models. However, most research focuses solely on interpretability analysis based on the insights from XAI, overlooking XAI’s potential to improve model performance. To bridge this gap, we propose a dynamical-system-inspired architecture, XAI guided transformer (XAIguiFormer), where XAI not only provides explanations but also contributes to enhancing the transformer by refining the originally coarse information in self-attention mechanism to capture more relevant dependency relationships. In order not to damage the connectome’s topological structure, the connectome tokenizer treats the single-band graphs as atomic tokens to generate a sequence in the frequency domain. To address the limitations of conventional positional encoding in understanding the frequency and mitigating the individual differences, we integrate frequency and demographic information into tokens via a rotation matrix, resulting in a richly informative representation. Our experiment demonstrates that XAIguiFormer achieves superior performance over all baseline models. In addition, XAIguiFormer provides valuable interpretability through visualization of the frequency band importance. Our code is available at https://github.com/HanningGuo/XAIguiFormer.

Neural activity in the brain is known to encode low-dimensional, time-evolving, behaviour-related variables. A long-standing goal of neural data analysis has been to identify these variables and their mapping to neural activity. A productive and canonical approach has been to simply visualise neural "tuning curves" as a function of behaviour. However, significant discrepancies between behaviour and the true latent variables -- such as an agent thinking of position Y whilst located at position X -- distort and blur the tuning curves, decreasing their interpretability. To address this, latent variable models propose to learn the latent variable from data; these are typically expensive, hard to tune, or scale poorly, complicating their adoption. Here we propose SIMPL (Scalable Iterative Maximization of Population-coded Latents), an EM-style algorithm which iteratively optimises latent variables and tuning curves. SIMPL is fast, scalable and exploits behaviour as an initial condition to further improve convergence and identifiability. It can accurately recover latent variables in spatial and non-spatial tasks. When applied to a large hippocampal dataset SIMPL converges on smaller, more numerous, and more uniformly sized place fields than those based on behaviour, suggesting the brain may encode space with greater resolution than previously thought.

Modeling the progression of neurodegenerative diseases such as Alzheimer’s disease (AD) is crucial for early detection and prevention given their irreversible nature. However, the scarcity of longitudinal data and complex disease dynamics make the analysis highly challenging. Moreover, longitudinal samples often contain irregular and large intervals between subject visits, which underscore the necessity for advanced data generation techniques that can accurately simulate disease progression over time. In this regime, we propose a novel conditional generative model for synthesizing longitudinal sequences and present its application to neurodegenerative disease data generation conditioned on multiple time-dependent ordinal factors, such as age and disease severity. Our method sequentially generates continuous data by bridging gaps between sparse data points with a diffusion model, ensuring a realistic representation of disease progression. The synthetic data are curated to integrate both cohort-level and individual-specific characteristics, where the cohort-level representations are modeled with an ordinal regression to capture longitudinally monotonic behavior. Extensive experiments on four AD biomarkers validate the superiority of our method over nine baseline approaches, highlighting its potential to be applied to a variety of longitudinal data generation.

Modelling the propagation of electromagnetic wireless signals is critical for designing modern communication systems. Wireless ray tracing simulators model signal propagation based on the 3D geometry and other scene parameters, but their accuracy is fundamentally limited by underlying modelling assumptions and correctness of parameters. In this work, we introduce Wi-GATr, a fully-learnable neural simulation surrogate designed to predict the channel observations based on scene primitives (e. g., surface mesh, antenna position and orientation). Recognizing the inherently geometric nature of these primitives, Wi-GATr leverages an equivariant Geometric Algebra Transformer that operates on a tokenizer specifically tailored for wireless simulation. We evaluate our approach on a range of tasks (i. e., signal strength and delay spread prediction, receiver localization, and geometry reconstruction) and find that Wi-GATr is accurate, fast, sample-efficient, and robust to symmetry-induced transformations. Remarkably, we find our results also translate well to the real world: Wi-GATr demonstrates more than 35% lower error than hybrid techniques, and 70% lower error than a calibrated wireless tracer.

Spiking Neural Networks (SNNs), models inspired by neural mechanisms in the brain, allow for energy-efficient implementation on neuromorphic hardware. However, SNNs trained with current direct training approaches are constrained to a specific time step. This "temporal inflexibility" 1) hinders SNNs' deployment on time-step-free fully event-driven chips and 2) prevents energy-performance balance based on dynamic inference time steps. In this study, we first explore the feasibility of training SNNs that generalize across different time steps. We then introduce Mixed Time-step Training (MTT), a novel method that improves the temporal flexibility of SNNs, making SNNs adaptive to diverse temporal structures. During each iteration of MTT, random time steps are assigned to different SNN stages, with spikes transmitted between stages via communication modules. After training, the weights are deployed and evaluated on both time-stepped and fully event-driven platforms. Experimental results show that models trained by MTT gain remarkable temporal flexibility, friendliness for both event-driven and clock-driven deployment (nearly lossless on N-MNIST and 10.1\% higher than standard methods on CIFAR10-DVS), enhanced network generalization, and near SOTA performance. To the best of our knowledge, this is the first work to report the results of large-scale SNN deployment on fully event-driven scenarios.

The quest for robust and generalizable machine learning models has driven recent interest in exploiting symmetries through equivariant neural networks. In the context of PDE solvers, recent works have shown that Lie point symmetries can be a useful inductive bias for Physics-Informed Neural Networks (PINNs) through data and loss augmentation. Despite this, directly enforcing equivariance within the model architecture for these problems remains elusive. This is because many PDEs admit non-compact symmetry groups, oftentimes not studied beyond their infinitesimal generators, making them incompatible with most existing equivariant architectures. In this work, we propose Lie aLgebrA Canonicalization (LieLAC), a novel approach that exploits only the action of infinitesimal generators of the symmetry group, circumventing the need for knowledge of the full group structure. To achieve this, we address existing theoretical issues in the canonicalization literature, establishing connections with frame averaging in the case of continuous non-compact groups. Operating within the framework of canonicalization, LieLAC can easily be integrated with unconstrained pre-trained models, transforming inputs to a canonical form before feeding them into the existing model, effectively aligning the input for model inference according to allowed symmetries. LieLAC utilizes standard Lie group descent schemes, achieving equivariance in pre-trained models. Finally, we showcase LieLAC's efficacy on tasks of invariant image classification and Lie point symmetry equivariant neural PDE solvers using pre-trained models.

Examining the alignment of large language models (LLMs) has become increasingly important, e.g., when LLMs fail to operate as intended. This study examines the alignment of LLMs with human values for the domain of politics. Prior research has shown that LLM-generated outputs can include political leanings and mimic the stances of political parties on various issues. However, the extent and conditions under which LLMs deviate from empirical positions are insufficiently examined. To address this gap, we analyze the factors that contribute to LLMs' deviations from empirical positions on political issues, aiming to quantify these deviations and identify the conditions that cause them. Drawing on findings from cognitive science about representativeness heuristics, i.e., situations where humans lean on representative attributes of a target group in a way that leads to exaggerated beliefs, we scrutinize LLM responses through this heuristics' lens. We conduct experiments to determine how LLMs inflate predictions about political parties, which results in stereotyping. We find that while LLMs can mimic certain political parties' positions, they often exaggerate these positions more than human survey respondents do. Also, LLMs tend to overemphasize representativeness more than humans. This study highlights the susceptibility of LLMs to representativeness heuristics, suggesting a potential vulnerability of LLMs that facilitates political stereotyping. We also test prompt-based mitigation strategies, finding that strategies that can mitigate representative heuristics in humans are also effective in reducing the influence of representativeness on LLM-generated responses.

We introduce MLE-bench, a benchmark for measuring how well AI agents perform at machine learning engineering. To this end, we curate 75 ML engineering-related competitions from Kaggle, creating a diverse set of challenging tasks that test real-world ML engineering skills such as training models, preparing datasets, and running experiments. We establish human baselines for each competition using Kaggle's publicly available leaderboards. We use open-source agent scaffolds to evaluate several frontier language models on our benchmark, finding that the best-performing setup — OpenAI's o1-preview with AIDE scaffolding — achieves at least the level of a Kaggle bronze medal in 16.9% of competitions. In addition to our main results, we investigate various forms of resource-scaling for AI agents and the impact of contamination from pre-training. We open-source our benchmark code https://github.com/openai/mle-bench to facilitate future research in understanding the ML engineering capabilities of AI agents.

Electroencephalography (EEG) is a non-invasive brain-computer interface technology used for recording brain electrical activity. It plays an important role in human life and has been widely uesd in real life, including sleep staging, emotion recognition, and motor imagery. However, existing EEG-related models cannot be well applied in practice, especially in clinical settings, where new patients with individual discrepancies appear every day. Such EEG-based model trained on fixed datasets cannot generalize well to the continual flow of numerous unseen subjects in real-world scenarios. This limitation can be addressed through continual learning (CL), wherein the CL model can continuously learn and advance over time. Inspired by CL, we introduce a novel Unsupervised Individual Continual Learning paradigm for handling this issue in practice. We propose the BrainUICL framework, which enables the EEG-based model to continuously adapt to the incoming new subjects. Simultaneously, BrainUICL helps the model absorb new knowledge during each adaptation, thereby advancing its generalization ability for all unseen subjects. The effectiveness of the proposed BrainUICL has been evaluated on three different mainstream EEG tasks. The BrainUICL can effectively balance both the plasticity and stability during CL, achieving better plasticity on new individuals and better stability across all the unseen individuals, which holds significance in a practical setting.

Foundation models are transforming machine learning across many modalities, with in-context learning replacing classical model training. Recent work on tabular data hints at a similar opportunity to build foundation models for classification for numerical data. However, existing meta-learning approaches can not compete with tree-based methods in terms of inference time. In this paper, we propose MotherNet, a hypernetwork architecture trained on synthetic classification tasks that, once prompted with a never-seen-before training set generates the weights of a trained ``child'' neural-network by in-context learning using a single forward pass. In contrast to most existing hypernetworks that are usually trained for relatively constrained multi-task settings, MotherNet can create models for multiclass classification on arbitrary tabular datasets without any dataset specific gradient descent. The child network generated by MotherNet outperforms neural networks trained using gradient descent on small datasets, and is competitive with predictions by TabPFN and standard ML methods like Gradient Boosting. Unlike a direct application of TabPFN, MotherNet generated networks are highly efficient at inference time.

Efficient physics simulations are essential for numerous applications, ranging from realistic cloth animations in video games, to analyzing pollutant dispersion in environmental sciences, to calculating vehicle drag coefficients in engineering applications. Unfortunately, analytical solutions to the underlying physical equations are rarely available, and numerical solutions are computationally demanding. Latest developments in the field of physics-based Deep Learning have led to promising efficiency gains but still suffer from limited generalization capabilities across multiple different PDEs. Thus, in this work, we introduce **Metamizer**, a novel neural optimizer that iteratively solves a wide range of physical systems without retraining by minimizing a physics-based loss function. To this end, our approach leverages a scale-invariant architecture that enhances gradient descent updates to accelerate convergence. Since the neural network itself acts as an optimizer, training this neural optimizer falls into the category of meta-optimization approaches. We demonstrate that Metamizer achieves high accuracy across multiple PDEs after training on the Laplace, advection-diffusion and incompressible Navier-Stokes equation as well as on cloth simulations. Remarkably, the model also generalizes to PDEs that were not covered during training such as the Poisson, wave and Burgers equation.

Landmark universal function approximation results for neural networks with trained weights and biases provided the impetus for the ubiquitous use of neural networks as learning models in neuroscience and Artificial Intelligence (AI). Recent work has extended these results to networks in which a smaller subset of weights (e.g., output weights) are tuned, leaving other parameters random. However, it remains an open question whether universal approximation holds when only biases are learned, despite evidence from neuroscience and AI that biases significantly shape neural responses. The current paper answers this question. We provide theoretical and numerical evidence demonstrating that feedforward neural networks with fixed random weights can approximate any continuous function on compact sets. We further show an analogous result for the approximation of dynamical systems with recurrent neural networks. Our findings are relevant to neuroscience, where they demonstrate the potential for behaviourally relevant changes in dynamics without modifying synaptic weights, as well as for AI, where they shed light on recent fine-tuning methods for large language models, like bias and prefix-based approaches.

Deep learning methods incorporate PDE residuals as the loss function for solving Fokker-Planck equations, and usually impose the proper normalization condition to avoid a trivial solution. However, soft constraints require careful balancing of multi-objective loss functions, and specific network architectures may limit representation capacity under hard constraints. In this paper, we propose a novel framework: Fokker-Planck neural network (FPNN) that adopts a score PDE loss to decouple the score learning and the density normalization into two stages. Our method allows free-form network architectures to model the unnormalized density and strictly satisfy normalization constraints by post-processing. We demonstrate the effectiveness on various high-dimensional steady-state Fokker-Planck (SFP) equations, achieving superior accuracy and over a 20$\times$ speedup compared to state-of-the-art methods. Without any labeled data, FPNNs achieve the mean absolute percentage error (MAPE) of 11.36%, 13.87% and 12.72% for 4D Ring, 6D Unimodal and 6D Multi-modal problems respectively, requiring only 256, 980, and 980 parameters. Experimental results highlights the potential as a universal fast solver for handling more than 20-dimensional SFP equations, with great gains in efficiency, accuracy, memory and computational resource usage.