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Intrinsic Goals for Autonomous Agents: Model-Based Exploration in Virtual Zebrafish Predicts Ethological Behavior and Whole-Brain Dynamics

Neural Information Processing Systems

Autonomy is a hallmark of animal intelligence, enabling adaptive and intelligent behavior in complex environments without relying on external reward or task structure. Existing reinforcement learning approaches to exploration in reward-free environments, including a class of methods known as, exhibit inconsistent exploration patterns and do not converge to an exploratory policy, thus failing to capture robust autonomous behaviors observed in animals. Moreover, systems neuroscience has largely overlooked the neural basis of autonomy, focusing instead on experimental paradigms where animals are motivated by external reward rather than engaging in ethological, naturalistic and task-independent behavior. To bridge these gaps, we introduce a novel model-based intrinsic drive explicitly designed after the principles of autonomous exploration in animals. Our method (3M-Progress) achieves animal-like exploration by tracking divergence between an online world model and a fixed prior learned from an ecological niche. To the best of our knowledge, we introduce the first autonomous embodied agent that predicts brain data entirely from self-supervised optimization of an intrinsic goal--without any behavioral or neural training data--demonstrating that 3M-Progress agents capture the explainable variance in behavioral patterns and whole-brain neural-glial dynamics recorded from autonomously behaving larval zebrafish, thereby providing the first goal-driven, population-level model of neural-glial computation. Our findings establish a computational framework connecting model-based intrinsic motivation to naturalistic behavior, providing a foundation for building artificial agents with animal-like autonomy.


MoniTor: Exploiting Large Language Models with Instruction for Online Video Anomaly Detection

Neural Information Processing Systems

Video Anomaly Detection (VAD) aims to locate unusual activities or behaviors within videos. Recently, offline VAD has garnered substantial research attention, which has been invigorated by the progress in large language models (LLMs) and vision-language models (VLMs), offering the potential for a more nuanced understanding of anomalies. However, online VAD has seldom received attention due to real-time constraints and computational intensity.


InvFusion: Bridging Supervised and Zero-shot Diffusion for Inverse Problems

Neural Information Processing Systems

Diffusion Models have demonstrated remarkable capabilities in handling inverse problems, offering high-quality posterior-sampling-based solutions. Despite significant advances, a fundamental trade-off persists regarding the way the conditioned synthesis is employed: Zero-shot approaches can accommodate any linear degradation but rely on approximations that reduce accuracy. In contrast, training-based methods model the posterior correctly, but cannot adapt to the degradation at test-time. Here we introduce InvFusion, the first training-based degradation-aware posterior sampler. InvFusion combines the best of both worlds - the strong performance of supervised approaches and the flexibility of zero-shot methods. This is achieved through a novel architectural design that seamlessly integrates the degradation operator directly into the diffusion denoiser. We compare InvFusion against existing general-purpose posterior samplers, both degradation-aware zero-shot techniques and blind training-based methods. Experiments on the FFHQ and ImageNet datasets demonstrate state-of-the-art performance. Beyond posterior sampling, we further demonstrate the applicability of our architecture, operating as a general Minimum Mean Square Error predictor, and as a Neural Posterior Principal Component estimator.


Scalable and Cost-Efficient de Novo Template-Based Molecular Generation

Neural Information Processing Systems

Template-based molecular generation offers a promising avenue for drug design by ensuring generated compounds are synthetically accessible through predefined reaction templates and building blocks. In this work, we tackle three core challenges in template-based GFlowNets: (1) minimizing synthesis cost, (2) scaling to large building block libraries, and (3) effectively utilizing small fragment sets.


Risk Bounds For Distributional Regression

Neural Information Processing Systems

This work examines risk bounds for nonparametric distributional regression estimators. For convex-constrained distributional regression, general upper bounds are established for the continuous ranked probability score (CRPS) and the worst-case mean squared error (MSE) across the domain. These theoretical results are applied to isotonic and trend filtering distributional regression, yielding convergence rates consistent with those for mean estimation. Furthermore, a general upper bound is derived for distributional regression under non-convex constraints, with a specific application to neural network-based estimators.


PhySense: Sensor Placement Optimization for Accurate Physics Sensing

Neural Information Processing Systems

Physics sensing plays a central role in many scientific and engineering domains, which inherently involves two coupled tasks: reconstructing dense physical fields from sparse observations and optimizing scattered sensor placements to observe maximum information. While deep learning has made rapid advances in sparse-data reconstruction, existing methods generally omit optimization of sensor placements, leaving the mutual enhancement between reconstruction and placement on the shelf. To change this suboptimal practice, we propose PhySense, a synergistic two-stage framework that learns to jointly reconstruct physical fields and to optimize sensor placements, both aiming for accurate physics sensing. The first stage involves a flow-based generative model enhanced by cross-attention to adaptively fuse sparse observations. Leveraging the reconstruction feedback, the second stage performs sensor placement via projected gradient descent to satisfy spatial constraints. We further prove that the learning objectives of the two stages are consistent with classical variance-minimization principles, providing theoretical guarantees. Extensive experiments across three challenging benchmarks, especially a 3D geometry dataset, indicate PhySense achieves state-of-the-art physics sensing accuracy and discovers informative sensor placements previously unconsidered. Code is available at this repository: https://github.com/thuml/PhySense.


FedEL: Federated Elastic Learning for Heterogeneous Devices

Neural Information Processing Systems

Federated learning (FL) enables distributed devices to collaboratively train machine learning (ML) models while maintaining data privacy. However, the heterogeneous hardware capabilities of participating devices often result in significant training delays, as straggler clients with limited resources prolong the aggregation process. Existing solutions such as client selection, asynchronous FL, and partial training partially address these challenges but encounter issues such as reduced accuracy, stale updates, and compromised model performance due to inconsistent training contributions. To overcome these limitations, we propose FedEL, a federated elastic learning framework that enhances training efficiency while maintaining model accuracy. FedEL introduces a novel window-based training process, sliding the window to locate the training part of the model and dynamically selecting important tensors for training within a coordinated runtime budget. This approach ensures progressive and balanced training across all clients, including stragglers. Additionally, FedEL employs a tensor importance adjustment module, harmonizing local and global tensor importance to mitigate biases caused by data heterogeneity. The experiment results shows that FedEL achieves up to 3.87 improvement in time-to-accuracy compared to baselines while maintaining or exceeding final test accuracy.


Infinite-Width Limit of a Single Attention Layer: Analysis via Tensor Programs

Neural Information Processing Systems

In modern theoretical analyses of neural networks, the infinite-width limit is often invoked to justify Gaussian approximations of neuron preactivations (e.g., via neural network Gaussian processes or Tensor Programs). However, these Gaussian-based asymptotic theories have so far been unable to capture the behavior of attention layers, except under special regimes such as infinitely many heads or tailored scaling schemes. In this paper, leveraging the Tensor Programs framework, we rigorously identify the infinite-width limit distribution of variables within a single attention layer under realistic architectural dimensionality and standard $1/\sqrt{n}$-scaling with $n$ dimensionality. We derive the exact form of this limit law without resorting to infinite-head approximations or tailored scalings, demonstrating that it departs fundamentally from Gaussianity. This limiting distribution exhibits non-Gaussianity from a hierarchical structure, being Gaussian conditional on the random similarity scores.


NeurIPS should lead scientific consensus on AI policy

Neural Information Processing Systems

Designing wise AI policy is a grand challenge for society. To design such policy, policymakers should place a premium on rigorous evidence and scientific consensus. While several mechanisms exist for evidence generation, and nascent mechanisms tackle evidence synthesis, we identify a complete void on consensus formation. In this position paper, we argue NeurIPS should actively catalyze scientific consensus on AI policy. Beyond identifying the current deficit in consensus formation mechanisms, we argue that NeurIPS is the best option due its strengths and the paucity of compelling alternatives. To make progress, we recommend initial pilots for NeurIPS by distilling lessons from the IPCC's leadership to build scientific consensus on climate policy. We dispel predictable counters that AI researchers disagree too much to achieve consensus and that policy engagement is not the business of NeurIPS. NeurIPS leads AI on many fronts, and it should champion scientific consensus to create policy that better realizes the benefits of AI.


Improving Time Series Forecasting via Instance-aware Post-hoc Revision

Neural Information Processing Systems

Time series forecasting plays a pivotal role in various real-world applications and has attracted significant attention in recent decades. While recent methods have achieved remarkable accuracy by incorporating advanced inductive biases and training strategies, we observe that instance-level variations remain a significant challenge. These variations--stemming from distribution shifts, missing data, and long-tail patterns--often lead to suboptimal forecasts for specific instances, even when overall performance appears strong. To address this issue, we propose a model-agnostic framework, PIR, designed to enhance forecasting performance through Post-forecasting Identification and Revision. Specifically, PIR first identifies biased forecast instances by estimating their predictive accuracy. Based on this, the framework revises the forecasts using contextual information, including covariates and historical time series, from both local and global perspectives in a post-processing fashion. Extensive experiments on real-world datasets with mainstream forecasting models demonstrate that PIR effectively mitigates instance-level errors and significantly improves forecasting reliability.