Daily Papers

Large-scale diffusion neural networks represent a substantial milestone in text-to-image generation, but they remain poorly understood, lacking interpretability analyses. In this paper, we perform a text-image attribution analysis on Stable Diffusion, a recently open-sourced model. To produce pixel-level attribution maps, we upscale and aggregate cross-attention word-pixel scores in the denoising subnetwork, naming our method DAAM. We evaluate its correctness by testing its semantic segmentation ability on nouns, as well as its generalized attribution quality on all parts of speech, rated by humans. We then apply DAAM to study the role of syntax in the pixel space, characterizing head--dependent heat map interaction patterns for ten common dependency relations. Finally, we study several semantic phenomena using DAAM, with a focus on feature entanglement, where we find that cohyponyms worsen generation quality and descriptive adjectives attend too broadly. To our knowledge, we are the first to interpret large diffusion models from a visuolinguistic perspective, which enables future lines of research. Our code is at https://github.com/castorini/daam.

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

Reconstructing interacting hands from monocular images is indispensable in AR/VR applications. Most existing solutions rely on the accurate localization of each skeleton joint. However, these methods tend to be unreliable due to the severe occlusion and confusing similarity among adjacent hand parts. This also defies human perception because humans can quickly imitate an interaction pattern without localizing all joints. Our key idea is to first construct a two-hand interaction prior and recast the interaction reconstruction task as the conditional sampling from the prior. To expand more interaction states, a large-scale multimodal dataset with physical plausibility is proposed. Then a VAE is trained to further condense these interaction patterns as latent codes in a prior distribution. When looking for image cues that contribute to interaction prior sampling, we propose the interaction adjacency heatmap (IAH). Compared with a joint-wise heatmap for localization, IAH assigns denser visible features to those invisible joints. Compared with an all-in-one visible heatmap, it provides more fine-grained local interaction information in each interaction region. Finally, the correlations between the extracted features and corresponding interaction codes are linked by the ViT module. Comprehensive evaluations on benchmark datasets have verified the effectiveness of this framework. The code and dataset are publicly available at https://github.com/binghui-z/InterPrior_pytorch

We propose an effective field-theoretic framework for analyzing Transformer attention through a thermodynamic lens. By constructing a Lagrangian on the information manifold equipped with the Fisher metric, we show that, within the Shannon--Boltzmann entropy framework, the Softmax function arises as a stationary solution minimizing a Helmholtz free energy functional. This establishes a formal correspondence between scaled dot-product attention and canonical ensemble statistics. Extending this mapping to macroscopic observables, we define an effective specific heat associated with fluctuations of the attention energy landscape. In controlled experiments on the modular addition task (p = 19--113), we observe a robust peak in this fluctuation measure that consistently precedes the onset of generalization. While no asymptotic power-law divergence is detected in this finite-depth regime, the reproducible enhancement of energy variance suggests a critical-like crossover accompanying representational reorganization. Our framework provides a unified statistical-mechanical perspective on attention scaling, training dynamics, and positional encoding, interpreting the phenomena as emergent properties of an effective thermodynamic system rather than isolated heuristics. Although the present results indicate finite-size crossover behavior rather than a strict phase transition, they motivate further investigation into scaling limits of deep architectures through fluctuation-based observables.

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

This paper presents COGENT3 (or Collective Growth and Entropy-modulated Triads System), a novel approach for emergent cognition integrating pattern formation networks with group influence dynamics. Contrasting with traditional strategies that rely on predetermined architectures, computational structures emerge dynamically in our framework through agent interactions. This enables a more flexible and adaptive system exhibiting characteristics reminiscent of human cognitive processes. The incorporation of temperature modulation and memory effects in COGENT3 closely integrates statistical mechanics, machine learning, and cognitive science.

Multi-Head Attention (MHA) is the core computational primitive underlying modern Large Language Models (LLMs). However, MHA suffers from a fundamental linear scaling limitation: H attention heads produce exactly H independent attention matrices, with no communication between heads during attention computation. This becomes problematic for multi-step reasoning, where correct answers depend on aggregating evidence from multiple parts of the context and composing latent token-to-token relations over a chain of intermediate inferences. To address this, we propose Interleaved Head Attention (IHA), which enables cross-head mixing by constructing P pseudo-heads per head (typically P=H), where each pseudo query/key/value is a learned linear combination of all H original queries, keys and values respectively. Interactions between pseudo-query and pseudo-key heads induce up to P^2 attention patterns per head with modest parameter overhead O(H^2P). We provide theory showing improved efficiency in terms of number of parameters on the synthetic Polynomial task (IHA uses Θ(kn^2) parameters vs. Θ(kn^2) for MHA) and on the synthetic order-sensitive CPM-3 task (IHA uses lceilN_{max}rceil heads vs. N_{max} for MHA). On real-world benchmarks, IHA improves Multi-Key retrieval on RULER by 10-20% (4k-16k) and, after fine-tuning for reasoning on OpenThoughts, improves GSM8K by 5.8% and MATH-500 by 2.8% (Majority Vote) over full attention.

Understanding player shooting profiles is an essential part of basketball analysis: knowing where certain opposing players like to shoot from can help coaches neutralize offensive gameplans from their opponents; understanding where their players are most comfortable can lead them to developing more effective offensive strategies. An automatic tool that can provide these performance profiles in a timely manner can become invaluable for coaches to maximize both the effectiveness of their game plan as well as the time dedicated to practice and other related activities. Additionally, basketball is dictated by many variables, such as playstyle and game dynamics, that can change the flow of the game and, by extension, player performance profiles. It is crucial that the performance profiles can reflect the diverse playstyles, as well as the fast-changing dynamics of the game. We present a tool that can visualize player performance profiles in a timely manner while taking into account factors such as play-style and game dynamics. Our approach generates interpretable heatmaps that allow us to identify and analyze how non-spatial factors, such as game dynamics or playstyle, affect player performance profiles.

This paper proposes joint attention estimation in a single image. Different from related work in which only the gaze-related attributes of people are independently employed, (I) their locations and actions are also employed as contextual cues for weighting their attributes, and (ii) interactions among all of these attributes are explicitly modeled in our method. For the interaction modeling, we propose a novel Transformer-based attention network to encode joint attention as low-dimensional features. We introduce a specialized MLP head with positional embedding to the Transformer so that it predicts pixelwise confidence of joint attention for generating the confidence heatmap. This pixelwise prediction improves the heatmap accuracy by avoiding the ill-posed problem in which the high-dimensional heatmap is predicted from the low-dimensional features. The estimated joint attention is further improved by being integrated with general image-based attention estimation. Our method outperforms SOTA methods quantitatively in comparative experiments. Code: https://anonymous.4open.science/r/anonymized_codes-ECA4.

We introduce a novel mathematical framework that unifies neural population dynamics, hippocampal sharp wave-ripple (SpWR) generation, and cognitive consistency constraints inspired by Heider's theory. Our model leverages low-dimensional manifold representations to capture structured neural drift and incorporates a balance energy function to enforce coherent synaptic interactions, effectively simulating the memory consolidation processes observed in biological systems. Simulation results demonstrate that our approach not only reproduces key features of SpWR events but also enhances network interpretability. This work paves the way for scalable neuromorphic architectures that bridge neuroscience and artificial intelligence, offering more robust and adaptive learning mechanisms for future intelligent systems.

A fundamental problem in learning robust and expressive visual representations lies in efficiently estimating the spatial relationships of visual semantics throughout the entire image. In this study, we propose vHeat, a novel vision backbone model that simultaneously achieves both high computational efficiency and global receptive field. The essential idea, inspired by the physical principle of heat conduction, is to conceptualize image patches as heat sources and model the calculation of their correlations as the diffusion of thermal energy. This mechanism is incorporated into deep models through the newly proposed module, the Heat Conduction Operator (HCO), which is physically plausible and can be efficiently implemented using DCT and IDCT operations with a complexity of O(N^{1.5}). Extensive experiments demonstrate that vHeat surpasses Vision Transformers (ViTs) across various vision tasks, while also providing higher inference speeds, reduced FLOPs, and lower GPU memory usage for high-resolution images. The code will be released at https://github.com/MzeroMiko/vHeat.

We put forward the dynamical study of a novel higher-order small network of Chialvo neurons arranged in a ring-star topology, with the neurons interacting via linear diffusive couplings. This model is perceived to imitate the nonlinear dynamical properties exhibited by a realistic nervous system where the neurons transfer information through higher-order multi-body interactions. We first analyze our model using the tools from nonlinear dynamics literature: fixed point analysis, Jacobian matrix, and bifurcation patterns. We observe the coexistence of chaotic attractors, and also an intriguing route to chaos starting from a fixed point, to period-doubling, to cyclic quasiperiodic closed invariant curves, to ultimately chaos. We numerically observe the existence of codimension-1 bifurcation patterns: saddle-node, period-doubling, and Neimark Sacker. We also qualitatively study the typical phase portraits of the system and numerically quantify chaos and complexity using the 0-1 test and sample entropy measure respectively. Finally, we study the collective behavior of the neurons in terms of two synchronization measures: the cross-correlation coefficient, and the Kuramoto order parameter.

Steady-state electrothermal systems involve strongly coupled heat transfer, fluid flow, and electric-potential transport, creating severe numerical challenges for standard physics-informed neural networks (PINNs) due to stark disparities in gradient scales and residual stiffnesses across the physical fields. To resolve these multiphysics bottlenecks, we introduce a Long Short-Term Memory PINN (LSTM-PINN) framework that utilizes a depth-recursive memory mechanism to preserve long-range spatial feature dependencies and maintain strict cross-field consistency. The proposed architecture is rigorously evaluated against conventional and attention-based networks across a unified five-field formulation encompassing four complex convective and drag regimes: Boussinesq electrothermal flow, drift-potential gauge-constrained transport, strong buoyancy-coupled convection, and Brinkman--Forchheimer drift. Quantitative and visual analyses demonstrate that LSTM-PINN successfully suppresses non-physical artifacts and structural distortions, yielding the highest thermodynamic fidelity and consistently outperforming state-of-the-art baselines in global error metrics. Ultimately, this memory-enhanced approach provides a highly robust and accurate computational baseline for capturing localized boundary layers and complex energy-momentum feedback in advanced electrothermal energy systems.

We establish a fundamental connection between score-based diffusion models and non-equilibrium thermodynamics by deriving performance limits based on entropy rates. Our main theoretical contribution is a lower bound on the negative log-likelihood of the data that relates model performance to entropy rates of diffusion processes. We numerically validate this bound on a synthetic dataset and investigate its tightness. By building a bridge to entropy rates - system, intrinsic, and exchange entropy - we provide new insights into the thermodynamic operation of these models, drawing parallels to Maxwell's demon and implications for thermodynamic computing hardware. Our framework connects generative modeling performance to fundamental physical principles through stochastic thermodynamics.

Understanding and interpreting the decisions made by deep learning models is valuable in many domains. In computer vision, computing heatmaps from a deep network is a popular approach for visualizing and understanding deep networks. However, heatmaps that do not correlate with the network may mislead human, hence the performance of heatmaps in providing a faithful explanation to the underlying deep network is crucial. In this paper, we propose I-GOS, which optimizes for a heatmap so that the classification scores on the masked image would maximally decrease. The main novelty of the approach is to compute descent directions based on the integrated gradients instead of the normal gradient, which avoids local optima and speeds up convergence. Compared with previous approaches, our method can flexibly compute heatmaps at any resolution for different user needs. Extensive experiments on several benchmark datasets show that the heatmaps produced by our approach are more correlated with the decision of the underlying deep network, in comparison with other state-of-the-art approaches.

We present a probabilistic model for point cloud generation, which is fundamental for various 3D vision tasks such as shape completion, upsampling, synthesis and data augmentation. Inspired by the diffusion process in non-equilibrium thermodynamics, we view points in point clouds as particles in a thermodynamic system in contact with a heat bath, which diffuse from the original distribution to a noise distribution. Point cloud generation thus amounts to learning the reverse diffusion process that transforms the noise distribution to the distribution of a desired shape. Specifically, we propose to model the reverse diffusion process for point clouds as a Markov chain conditioned on certain shape latent. We derive the variational bound in closed form for training and provide implementations of the model. Experimental results demonstrate that our model achieves competitive performance in point cloud generation and auto-encoding. The code is available at https://github.com/luost26/diffusion-point-cloud.

Recent breakthroughs in synaptic-resolution network connectomics have revealed that brain circuits feature fine-scale structural connectivity, such as pairs of correlated synaptic couplings known as second-order motifs. Large-scale recordings of neuronal activity in networks containing nonlinear neurons reveal macroscopic heterogeneous population dynamics throughout the brain. These findings rekindle the inquiry into this intriguing question: Can microscale synaptic structures contribute to macroscopic heterogeneous dynamics and computations in ways that canonical brain circuit models cannot? To answer this question, we create random RNNs with various cell types, nonlinear non-negative neural responses, and arbitrary marginal and second-order correlated synaptic statistics. We derive mean-field low-rank equations for P-population networks in which the pre- and postsynaptic neuronal population identities determine the synaptic and motif strengths. Our framework requires 2P latent dynamic variables with P variables describing mean population activity and P variables capturing within-population variability. Theoretical and simulational results demonstrate that chain motifs induce correlations in synaptic variability, enabling microscopic fluctuations to be integrated and influence mesoscopic mean population dynamics. We apply this framework to reverse engineer network connectivity that recapitulates the heterogeneous activity across the population in the mouse primary visual cortex. By bridging the gap between synaptic organization and nonlinear heterogeneous population dynamics, our results offer a principled approach and testable predictions regarding the relationship between fine-scale connectivity, heterogeneous dynamics, and functional computations.

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances, and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

Partial Differential Equations are precise in modelling the physical, biological and graphical phenomena. However, the numerical methods suffer from the curse of dimensionality, high computation costs and domain-specific discretization. We aim to explore pros and cons of different PDE solvers, and apply them to specific scientific simulation problems, including forwarding solution, inverse problems and equations discovery. In particular, we extend the recent CNF (NeurIPS 2023) framework solver to multi-dependent-variable and non-linear settings, together with down-stream applications. The outcomes include implementation of selected methods, self-tuning techniques, evaluation on benchmark problems and a comprehensive survey of neural PDE solvers and scientific simulation applications.

Nonlinear operators with long distance spatiotemporal dependencies are fundamental in modeling complex systems across sciences, yet learning these nonlocal operators remains challenging in machine learning. Integral equations (IEs), which model such nonlocal systems, have wide ranging applications in physics, chemistry, biology, and engineering. We introduce Neural Integral Equations (NIE), a method for learning unknown integral operators from data using an IE solver. To improve scalability and model capacity, we also present Attentional Neural Integral Equations (ANIE), which replaces the integral with self-attention. Both models are grounded in the theory of second kind integral equations, where the indeterminate appears both inside and outside the integral operator. We provide theoretical analysis showing how self-attention can approximate integral operators under mild regularity assumptions, further deepening previously reported connections between transformers and integration, and deriving corresponding approximation results for integral operators. Through numerical benchmarks on synthetic and real world data, including Lotka-Volterra, Navier-Stokes, and Burgers' equations, as well as brain dynamics and integral equations, we showcase the models' capabilities and their ability to derive interpretable dynamics embeddings. Our experiments demonstrate that ANIE outperforms existing methods, especially for longer time intervals and higher dimensional problems. Our work addresses a critical gap in machine learning for nonlocal operators and offers a powerful tool for studying unknown complex systems with long range dependencies.

Solving partial differential equations (PDEs) serves as a cornerstone for modeling complex dynamical systems. Recent progresses have demonstrated grand benefits of data-driven neural-based models for predicting spatiotemporal dynamics (e.g., tremendous speedup gain compared with classical numerical methods). However, most existing neural models rely on rich training data, have limited extrapolation and generalization abilities, and suffer to produce precise or reliable physical prediction under intricate conditions (e.g., irregular mesh or geometry, complex boundary conditions, diverse PDE parameters, etc.). To this end, we propose a new graph learning approach, namely, Physics-encoded Message Passing Graph Network (PhyMPGN), to model spatiotemporal PDE systems on irregular meshes given small training datasets. Specifically, we incorporate a GNN into a numerical integrator to approximate the temporal marching of spatiotemporal dynamics for a given PDE system. Considering that many physical phenomena are governed by diffusion processes, we further design a learnable Laplace block, which encodes the discrete Laplace-Beltrami operator, to aid and guide the GNN learning in a physically feasible solution space. A boundary condition padding strategy is also designed to improve the model convergence and accuracy. Extensive experiments demonstrate that PhyMPGN is capable of accurately predicting various types of spatiotemporal dynamics on coarse unstructured meshes, consistently achieves the state-of-the-art results, and outperforms other baselines with considerable gains.

Hopfield attractor networks are robust distributed models of human memory, but lack a general mechanism for effecting state-dependent attractor transitions in response to input. We propose construction rules such that an attractor network may implement an arbitrary finite state machine (FSM), where states and stimuli are represented by high-dimensional random vectors, and all state transitions are enacted by the attractor network's dynamics. Numerical simulations show the capacity of the model, in terms of the maximum size of implementable FSM, to be linear in the size of the attractor network for dense bipolar state vectors, and approximately quadratic for sparse binary state vectors. We show that the model is robust to imprecise and noisy weights, and so a prime candidate for implementation with high-density but unreliable devices. By endowing attractor networks with the ability to emulate arbitrary FSMs, we propose a plausible path by which FSMs could exist as a distributed computational primitive in biological neural networks.

In-context learning is a powerful emergent ability in transformer models. Prior work in mechanistic interpretability has identified a circuit element that may be critical for in-context learning -- the induction head (IH), which performs a match-and-copy operation. During training of large transformers on natural language data, IHs emerge around the same time as a notable phase change in the loss. Despite the robust evidence for IHs and this interesting coincidence with the phase change, relatively little is known about the diversity and emergence dynamics of IHs. Why is there more than one IH, and how are they dependent on each other? Why do IHs appear all of a sudden, and what are the subcircuits that enable them to emerge? We answer these questions by studying IH emergence dynamics in a controlled setting by training on synthetic data. In doing so, we develop and share a novel optogenetics-inspired causal framework for modifying activations throughout training. Using this framework, we delineate the diverse and additive nature of IHs. By clamping subsets of activations throughout training, we then identify three underlying subcircuits that interact to drive IH formation, yielding the phase change. Furthermore, these subcircuits shed light on data-dependent properties of formation, such as phase change timing, already showing the promise of this more in-depth understanding of subcircuits that need to "go right" for an induction head.

Despite the widespread adoption of Virtual Reality (VR) technology, cybersickness remains a barrier for some users. This research investigates head movement patterns as a novel physiological marker for cybersickness detection. Unlike traditional markers, head movements provide a continuous, non-invasive measure that can be easily captured through the sensors embedded in all commercial VR headsets. We used a publicly available dataset from a VR experiment involving 75 participants and analyzed head movements across six axes. An extensive feature extraction process was then performed on the head movement dataset and its derivatives, including velocity, acceleration, and jerk. Three categories of features were extracted, encompassing statistical, temporal, and spectral features. Subsequently, we employed the Recursive Feature Elimination method to select the most important and effective features. In a series of experiments, we trained a variety of machine learning algorithms. The results demonstrate a 76% accuracy and 83% precision in predicting cybersickness in the subjects based on the head movements. This study contribution to the cybersickness literature lies in offering a preliminary analysis of a new source of data and providing insight into the relationship of head movements and cybersickness.

The human brain is autonomously active, being characterized by a self-sustained neural activity which would be present even in the absence of external sensory stimuli. Here we study the interrelation between the self-sustained activity in autonomously active recurrent neural nets and external sensory stimuli. There is no a priori semantical relation between the influx of external stimuli and the patterns generated internally by the autonomous and ongoing brain dynamics. The question then arises when and how are semantic correlations between internal and external dynamical processes learned and built up? We study this problem within the paradigm of transient state dynamics for the neural activity in recurrent neural nets, i.e. for an autonomous neural activity characterized by an infinite time-series of transiently stable attractor states. We propose that external stimuli will be relevant during the sensitive periods, {\it viz} the transition period between one transient state and the subsequent semi-stable attractor. A diffusive learning signal is generated unsupervised whenever the stimulus influences the internal dynamics qualitatively. For testing we have presented to the model system stimuli corresponding to the bars and stripes problem. We found that the system performs a non-linear independent component analysis on its own, being continuously and autonomously active. This emergent cognitive capability results here from a general principle for the neural dynamics, the competition between neural ensembles.

The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the path set out by Jaynes, including elements added subsequently to that original work, to explore the consequences of the purely statistical point of view. We show how standard methods in the equilibrium theory could have been derived simply from a description of the available problem information. In addition, our presentation leads to novel insights into questions associated with symmetry and non-equilibrium statistical mechanics. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a quantity related to the thermodynamic entropy production is found by considering information loss in non-equilibrium processes. Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complexity by successively adding information to create progressively more complex descriptions of a physical system. Our result is that such statistical mechanical descriptions can be used to create transparent, computable, experimentally-relevant models that may be informed by more detailed atomistic simulations. We also derive a theory for the kinetic behavior of this system, identifying the nonequilibrium `process' free energy functional. The Gibbs relation for this functional is a fluctuation-dissipation theorem applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient driving forces. Based on this work, it is clear that statistical mechanics is a general tool for constructing the relationships between constraints on system information.

Sequence modeling has produced diverse architectures -- from classical recurrent neural networks to modern Transformers and state space models (SSMs) -- yet a unified theoretical understanding of expressivity and trainability trade-offs remains limited. We introduce a unified framework that represents a broad class of sequence maps via an input-dependent effective interaction operator W_{ij}(X), making explicit two recurring construction patterns: (i) the Unified Factorized Framework (Explicit) (attention-style mixing), in which W_{ij}(X) varies through scalar coefficients applied to shared value maps, and (ii) Structured Dynamics (Implicit) (state-space recurrences), in which W_{ij} is induced by a latent dynamical system. Using this framework, we derive three theoretical results. First, we establish the Interaction Rank Gap: models in the Unified Factorized Framework, such as single-head attention, are constrained to a low-dimensional operator span and cannot represent certain structured dynamical maps. Second, we prove an Equivalence (Head-Count) Theorem showing that, within our multi-head factorized class, representing a linear SSM whose lag operators span a k-dimensional subspace on length-n sequences requires and is achievable with H=k heads. Third, we prove a Gradient Highway Result, showing that attention layers admit inputs with distance-independent gradient paths, whereas stable linear dynamics exhibit distance-dependent gradient attenuation. Together, these results formalize a fundamental trade-off between algebraic expressivity (interaction/operator span) and long-range gradient propagation, providing theoretical grounding for modern sequence architecture design.

The favorable performance of Vision Transformers (ViTs) is often attributed to the multi-head self-attention (MSA). The MSA enables global interactions at each layer of a ViT model, which is a contrasting feature against Convolutional Neural Networks (CNNs) that gradually increase the range of interaction across multiple layers. We study the role of the density of the attention. Our preliminary analyses suggest that the spatial interactions of attention maps are close to dense interactions rather than sparse ones. This is a curious phenomenon, as dense attention maps are harder for the model to learn due to steeper softmax gradients around them. We interpret this as a strong preference for ViT models to include dense interaction. We thus manually insert the uniform attention to each layer of ViT models to supply the much needed dense interactions. We call this method Context Broadcasting, CB. We observe that the inclusion of CB reduces the degree of density in the original attention maps and increases both the capacity and generalizability of the ViT models. CB incurs negligible costs: 1 line in your model code, no additional parameters, and minimal extra operations.

Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose "HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head's attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.

Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour into different regimes, or modes, each with simpler dynamics, and then learning the switching behaviour from one mode to another. Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on independent objects, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general interacting object setting for switching dynamical systems, where the per-object dynamics also depends on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. We introduce two new datasets for this setting, a synthesized ODE-driven particles dataset and a real-world Salsa Couple Dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods.

Current advances in human head modeling allow to generate plausible-looking 3D head models via neural representations. Nevertheless, constructing complete high-fidelity head models with explicitly controlled animation remains an issue. Furthermore, completing the head geometry based on a partial observation, e.g. coming from a depth sensor, while preserving details is often problematic for the existing methods. We introduce a generative model for detailed 3D head meshes on top of an articulated 3DMM which allows explicit animation and high-detail preservation at the same time. Our method is trained in two stages. First, we register a parametric head model with vertex displacements to each mesh of the recently introduced NPHM dataset of accurate 3D head scans. The estimated displacements are baked into a hand-crafted UV layout. Second, we train a StyleGAN model in order to generalize over the UV maps of displacements. The decomposition of the parametric model and high-quality vertex displacements allows us to animate the model and modify it semantically. We demonstrate the results of unconditional generation and fitting to the full or partial observation. The project page is available at https://seva100.github.io/headcraft.

We develop a dynamical mean-field theory for random recurrent networks with low-rank structure and firing-rate-driven adaptation. When the random connectivity is strong enough to generate chaos, increasing adaptation strength drives the network through four regimes: a static coherent state, noise-sustained oscillations that progress from regular to irregular, stochastic switching between symmetric wells, and a global limit cycle. The theory identifies two instability mechanisms, chaos onset from the random connectivity and a Hopf bifurcation of the coherent mode, and shows how adaptation shapes both through the frequency-dependent single-neuron transfer function. A reduced three-dimensional model captures the bifurcation structure of the full network. Above the chaos threshold, coherent population-level oscillations coexist with heterogeneous firing rates and network-generated stochasticity at the single-neuron level. The interaction of adaptation with random and low-rank connectivity produces a rich oscillatory repertoire, including waxing-and-waning rhythmic episodes, persistent state switching, and slow Up-Down alternations, dynamics that have been observed during wakefulness, sleep, and anesthesia.

We characterize the pre-softmax attention matrix QK^top in transformers as an associative memory matrix encoding pairwise associations between input features. By decomposing this matrix into its symmetric and skew-symmetric parts, we interpret the symmetric component as governing the structure of the energy landscape, and the skew-symmetric component as driving circulation on that landscape. Leveraging the energy formulation induced by the symmetric component, we derive Hopfield-style stability measures that quantify the stability of retrieved features. We observe meaningful correlations between Hopfield-style stability measures and the fidelity-diversity trade-offs in generation. Finally, we propose a controllable knob to modulate this trade-off by modifying the circulation of the underlying dynamics. Code is available at our GitHub (https://github.com/hyeon-cho/Attention-Symmetric-Decomposition).

We characterise the dynamics of neuronal activity, in terms of field theory, using neural units placed on a 2D-lattice modelling the cortical surface. The electrical activity of neuronal units was analysed with the aim of deriving a neural field model with a simple functional form that still able to predict or reproduce empirical findings. Each neural unit was modelled using a neural mass and the accompanying field theory was derived in the continuum limit. The field theory comprised coupled (real) Klein-Gordon fields, where predictions of the model fall within the range of experimental findings. These predictions included the frequency spectrum of electric activity measured from the cortex, which was derived using an equipartition of energy over eigenfunctions of the neural fields. Moreover, the neural field model was invariant, within a set of parameters, to the dynamical system used to model each neuronal mass. Specifically, topologically equivalent dynamical systems resulted in the same neural field model when connected in a lattice; indicating that the fields derived could be read as a canonical cortical field theory. We specifically investigated non-dispersive fields that provide a structure for the coding (or representation) of afferent information. Further elaboration of the ensuing neural field theory, including the effect of dispersive forces, could be of importance in the understanding of the cortical processing of information.

Heatwaves pose significant health risks, particularly due to prolonged exposure to high summer temperatures. Vulnerable groups, especially pedestrians and cyclists on sun-exposed sidewalks, motivate the development of a route planning method that incorporates somatosensory temperature effects through shade ratio consideration. This paper is the first to introduce a pipeline that utilizes segmentation foundation models to extract shaded areas from high-resolution satellite images. These areas are then integrated into a multi-layered road map, enabling users to customize routes based on a balance between distance and shade exposure, thereby enhancing comfort and health during outdoor activities. Specifically, we construct a graph-based representation of the road map, where links indicate connectivity and are updated with shade ratio data for dynamic route planning. This system is already implemented online, with a video demonstration, and will be specifically adapted to assist travelers during the 2024 Olympic Games in Paris.

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.

Attention heads are one of the building blocks of large language models (LLMs). Prior work on investigating their operation mostly focused on analyzing their behavior during inference for specific circuits or tasks. In this work, we seek a comprehensive mapping of the operations they implement in a model. We propose MAPS (Mapping Attention head ParameterS), an efficient framework that infers the functionality of attention heads from their parameters, without any model training or inference. We showcase the utility of MAPS for answering two types of questions: (a) given a predefined operation, mapping how strongly heads across the model implement it, and (b) given an attention head, inferring its salient functionality. Evaluating MAPS on 20 operations across 6 popular LLMs shows its estimations correlate with the head's outputs during inference and are causally linked to the model's predictions. Moreover, its mappings reveal attention heads of certain operations that were overlooked in previous studies, and valuable insights on function universality and architecture biases in LLMs. Next, we present an automatic pipeline and analysis that leverage MAPS to characterize the salient operations of a given head. Our pipeline produces plausible operation descriptions for most heads, as assessed by human judgment, while revealing diverse operations.

Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the stationary distributions of stochastic gradient descent (SGD) with weight decay for scale-invariant neural networks, a setting that both reflects practical architectures with normalization layers and permits theoretical analysis. We establish analogies between training hyperparameters (e.g., learning rate, weight decay) and thermodynamic variables such as temperature, pressure, and volume. Starting with a simplified isotropic noise model, we uncover a close correspondence between SGD dynamics and ideal gas behavior, validated through theory and simulation. Extending to training of neural networks, we show that key predictions of the framework, including the behavior of stationary entropy, align closely with experimental observations. This framework provides a principled foundation for interpreting training dynamics and may guide future work on hyperparameter tuning and the design of learning rate schedulers.

Creating high-fidelity head avatars from multi-view videos is a core issue for many AR/VR applications. However, existing methods usually struggle to obtain high-quality renderings for all different head components simultaneously since they use one single representation to model components with drastically different characteristics (e.g., skin vs. hair). In this paper, we propose a Hybrid Mesh-Gaussian Head Avatar (MeGA) that models different head components with more suitable representations. Specifically, we select an enhanced FLAME mesh as our facial representation and predict a UV displacement map to provide per-vertex offsets for improved personalized geometric details. To achieve photorealistic renderings, we obtain facial colors using deferred neural rendering and disentangle neural textures into three meaningful parts. For hair modeling, we first build a static canonical hair using 3D Gaussian Splatting. A rigid transformation and an MLP-based deformation field are further applied to handle complex dynamic expressions. Combined with our occlusion-aware blending, MeGA generates higher-fidelity renderings for the whole head and naturally supports more downstream tasks. Experiments on the NeRSemble dataset demonstrate the effectiveness of our designs, outperforming previous state-of-the-art methods and supporting various editing functionalities, including hairstyle alteration and texture editing.

Generating realistic human-human interactions is a challenging task that requires not only high-quality individual body and hand motions, but also coherent coordination among all interactants. Due to limitations in available data and increased learning complexity, previous methods tend to ignore hand motions, limiting the realism and expressivity of the interactions. Additionally, current diffusion-based approaches generate entire motion sequences simultaneously, limiting their ability to capture the reactive and adaptive nature of human interactions. To address these limitations, we introduce Interact2Ar, the first end-to-end text-conditioned autoregressive diffusion model for generating full-body, human-human interactions. Interact2Ar incorporates detailed hand kinematics through dedicated parallel branches, enabling high-fidelity full-body generation. Furthermore, we introduce an autoregressive pipeline coupled with a novel memory technique that facilitates adaptation to the inherent variability of human interactions using efficient large context windows. The adaptability of our model enables a series of downstream applications, including temporal motion composition, real-time adaptation to disturbances, and extension beyond dyadic to multi-person scenarios. To validate the generated motions, we introduce a set of robust evaluators and extended metrics designed specifically for assessing full-body interactions. Through quantitative and qualitative experiments, we demonstrate the state-of-the-art performance of Interact2Ar.

We propose a novel nonlinear bidirectionally coupled heterogeneous chain network whose dynamics evolve in discrete time. The backbone of the model is a pair of popular map-based neuron models, the Chialvo and the Rulkov maps. This model is assumed to proximate the intricate dynamical properties of neurons in the widely complex nervous system. The model is first realized via various nonlinear analysis techniques: fixed point analysis, phase portraits, Jacobian matrix, and bifurcation diagrams. We observe the coexistence of chaotic and period-4 attractors. Various codimension-1 and -2 patterns for example saddle-node, period-doubling, Neimark-Sacker, double Neimark-Sacker, flip- and fold-Neimark Sacker, and 1:1 and 1:2 resonance are also explored. Furthermore, the study employs two synchronization measures to quantify how the oscillators in the network behave in tandem with each other over a long number of iterations. Finally, a time series analysis of the model is performed to investigate its complexity in terms of sample entropy.

Climate change is increasing the intensity and frequency of many extreme weather events, including heatwaves, which results in increased thermal discomfort and mortality rates. While global mitigation action is undoubtedly necessary, so is climate adaptation, e.g., through climate-sensitive urban planning. Among the most promising strategies is harnessing the benefits of urban trees in shading and cooling pedestrian-level environments. Our work investigates the challenge of optimal placement of such trees. Physical simulations can estimate the radiative and thermal impact of trees on human thermal comfort but induce high computational costs. This rules out optimization of tree placements over large areas and considering effects over longer time scales. Hence, we employ neural networks to simulate the point-wise mean radiant temperatures--a driving factor of outdoor human thermal comfort--across various time scales, spanning from daily variations to extended time scales of heatwave events and even decades. To optimize tree placements, we harness the innate local effect of trees within the iterated local search framework with tailored adaptations. We show the efficacy of our approach across a wide spectrum of study areas and time scales. We believe that our approach is a step towards empowering decision-makers, urban designers and planners to proactively and effectively assess the potential of urban trees to mitigate heat stress.

Collective motion in fish schools exemplifies emergent self-organization in active matter systems, yet computational tools for simulating and analyzing these dynamics remain fragmented across research groups. We present dewi-kadita, an open-source Python library implementing the three-dimensional Couzin zone-based model with comprehensive entropy diagnostics tailored for marine collective behavior research. The library introduces seven information-theoretic metrics -- school cohesion entropy, polarization entropy, depth stratification entropy, angular momentum entropy, nearest-neighbor entropy, velocity correlation entropy, and school shape entropy -- that characterize distinct organizational features inaccessible to classical order parameters. These metrics combine into an Oceanic Schooling Index (OSI) providing a single scalar measure of collective disorder. Validation across four canonical configurations (swarm, torus, dynamic parallel, highly parallel) confirms correct reproduction of known phase behaviors: the swarm maintains disorder with polarization P < 0.1 and OSI approx 0.71, while the highly parallel state achieves P = 0.998 with OSI = 0.24 and velocity correlation entropy vanishing to zero. The entropy framework successfully discriminates the torus and dynamic parallel configurations that exhibit comparable order parameter magnitudes through different organizational mechanisms. Numba just-in-time (JIT) compilation accelerates pairwise interaction calculations by 10--100times, enabling simulations of 150--250 agents over 1000--2000 time steps within five minutes on standard workstation hardware. NetCDF4 output ensures interoperability with oceanographic analysis tools. The library addresses the need for standardized, reproducible infrastructure in collective behavior modeling analogous to established molecular dynamics codes.

Autoregressive (AR) video diffusion models adopt a streaming generation framework, enabling long-horizon video generation with real-time responsiveness, as exemplified by the Self Forcing training paradigm. However, existing AR video diffusion models still suffer from significant attention complexity and severe memory overhead due to the redundant key-value (KV) caches across historical frames, which limits scalability. In this paper, we tackle this challenge by introducing KV cache compression into autoregressive video diffusion. We observe that attention heads in mainstream AR diffusion models exhibit markedly distinct attention patterns and functional roles that remain stable across samples and denoising steps. Building on our empirical study of head-wise functional specialization, we divide the attention heads into two categories: static heads, which focus on transitions across autoregressive chunks and intra-frame fidelity, and dynamic heads, which govern inter-frame motion and consistency. We then propose Forcing-KV, a hybrid KV cache compression strategy that performs structured static pruning for static heads and dynamic pruning based on segment-wise similarity for dynamic heads. While maintaining output quality, our method achieves a generation speed of over 29 frames per second on a single NVIDIA H200 GPU along with 30% cache memory reduction, delivering up to 1.35x and 1.50x speedups on LongLive and Self Forcing at 480P resolution, and further scaling to 2.82x speedup at 1080P resolution. Code and demo videos are provided at https://zju-jiyicheng.github.io/Forcing-KV-Page.

Large language models (LLMs) are applied to all sorts of creative tasks, and their outputs vary from beautiful, to peculiar, to pastiche, into plain plagiarism. The temperature parameter of an LLM regulates the amount of randomness, leading to more diverse outputs; therefore, it is often claimed to be the creativity parameter. Here, we investigate this claim using a narrative generation task with a predetermined fixed context, model and prompt. Specifically, we present an empirical analysis of the LLM output for different temperature values using four necessary conditions for creativity in narrative generation: novelty, typicality, cohesion, and coherence. We find that temperature is weakly correlated with novelty, and unsurprisingly, moderately correlated with incoherence, but there is no relationship with either cohesion or typicality. However, the influence of temperature on creativity is far more nuanced and weak than suggested by the "creativity parameter" claim; overall results suggest that the LLM generates slightly more novel outputs as temperatures get higher. Finally, we discuss ideas to allow more controlled LLM creativity, rather than relying on chance via changing the temperature parameter.

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes. While neural operator frameworks, such as Deep Operator Networks (DeepONets), have shown considerable success in single-physics settings, their extension to multiphysics problems remains poorly understood. In particular, the challenge of learning nonlinear interactions between tightly coupled physical fields has received little systematic attention. This study addresses a foundational question: should the architectural design of a neural operator reflect the strength of physical coupling it aims to model? To answer this, we present the first comprehensive, architecture-aware evaluation of DeepONet variants across three regimes: single-physics, weakly coupled, and strongly coupled multiphysics systems. We consider a reaction-diffusion equation with dual spatial inputs, a nonlinear thermo-electrical problem with bidirectional coupling through temperature-dependent conductivity, and a viscoplastic thermo-mechanical model of steel solidification governed by transient phase-driven interactions. Two operator-learning frameworks, the classical DeepONet and its sequential GRU-based extension, S-DeepONet, are benchmarked using both single-branch and multi-branch (MIONet-style) architectures. Our results demonstrate that architectural alignment with physical coupling is crucial: single-branch networks significantly outperform multi-branch counterparts in strongly coupled settings, whereas multi-branch encodings offer advantages for decoupled or single-physics problems. Once trained, these surrogates achieve full-field predictions up to 1.8e4 times faster than high-fidelity finite-element solvers, without compromising solution accuracy.

We investigate Josephson arrays consisting of a dice-lattice network of superconducting weak links surrounding rhombic plaquettes of proximitized semiconductor. Josephson coupling of the weak links and electron density in the plaquettes are independently controlled by separate electrostatic gates. Applied magnetic flux results in an intricate pattern of switching currents associated with frustration, f. For depleted plaquettes, the switching current is nearly periodic in f, expected for a phase-only description, while occupied plaquettes yield a decreasing envelope of switching currents with increasing f. A model of flux dependence based on ballistic small-area junctions and diffusive large-area plaquettes yields excellent agreement with experiment.

Brain simulation builds dynamical models to mimic the structure and functions of the brain, while brain-inspired computing (BIC) develops intelligent systems by learning from the structure and functions of the brain. The two fields are intertwined and should share a common programming framework to facilitate each other's development. However, none of the existing software in the fields can achieve this goal, because traditional brain simulators lack differentiability for training, while existing deep learning (DL) frameworks fail to capture the biophysical realism and complexity of brain dynamics. In this paper, we introduce BrainPy, a differentiable brain simulator developed using JAX and XLA, with the aim of bridging the gap between brain simulation and BIC. BrainPy expands upon the functionalities of JAX, a powerful AI framework, by introducing complete capabilities for flexible, efficient, and scalable brain simulation. It offers a range of sparse and event-driven operators for efficient and scalable brain simulation, an abstraction for managing the intricacies of synaptic computations, a modular and flexible interface for constructing multi-scale brain models, and an object-oriented just-in-time compilation approach to handle the memory-intensive nature of brain dynamics. We showcase the efficiency and scalability of BrainPy on benchmark tasks, highlight its differentiable simulation for biologically plausible spiking models, and discuss its potential to support research at the intersection of brain simulation and BIC.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration, achieving exponential convergence while maintaining pedagogical clarity. We analyze three dynamical regimes: stable spirals, spatiotemporal chaos, and pattern decay, revealing extreme non-Gaussian statistics (kurtosis >96) in stable states. Information-theoretic metrics show 10.7% reduction in activator-inhibitor coupling during turbulence versus 6.5% in stable regimes. The solver handles stiffness ratios >6:1 with features including automated equilibrium classification and checkpointing. Effect sizes (delta=0.37--0.78) distinguish regimes, with asymmetric field sensitivities to perturbations. By balancing computational rigor with educational transparency, rd-spiral bridges theoretical and practical nonlinear dynamics.

This chapter provides a pedagogical introduction and overview of spatial and temporal correlation and fluctuation effects resulting from the fundamentally stochastic kinetics underlying chemical reactions and the dynamics of populations or epidemics. After reviewing the assumptions and mean-field type approximations involved in the construction of chemical rate equations for uniform reactant densities, we first discuss spatial clustering in birth-death systems, where non-linearities are introduced through either density-limiting pair reactions, or equivalently via local imposition of finite carrying capacities. The competition of offspring production, death, and non-linear inhibition induces a population extinction threshold, which represents a non-equilibrium phase transition that separates active from absorbing states. This continuous transition is characterized by the universal scaling exponents of critical directed percolation clusters. Next we focus on the emergence of depletion zones in single-species annihilation processes and spatial population segregation with the associated reaction fronts in two-species pair annihilation. These strong (anti-)correlation effects are dynamically generated by the underlying stochastic kinetics. Finally, we address noise-induced and fluctuation-stabilized spatio-temporal patterns in basic predator-prey systems, exemplified by spreading activity fronts in the two-species Lotka-Volterra model as well as spiral structures in the May-Leonard variant of cyclically competing three-species systems akin to rock-paper-scissors games.

Long-term forecasting of chaotic systems from short-term observations remains a fundamental and underexplored challenge due to the intrinsic sensitivity to initial conditions and the complex geometry of strange attractors. Existing approaches often rely on long-term training data or focus on short-term sequence correlations, struggling to maintain predictive stability and dynamical coherence over extended horizons. We propose PhyxMamba, a novel framework that integrates a Mamba-based state-space model with physics-informed principles to capture the underlying dynamics of chaotic systems. By reconstructing the attractor manifold from brief observations using time-delay embeddings, PhyxMamba extracts global dynamical features essential for accurate forecasting. Our generative training scheme enables Mamba to replicate the physical process, augmented by multi-token prediction and attractor geometry regularization for physical constraints, enhancing prediction accuracy and preserving key statistical invariants. Extensive evaluations on diverse simulated and real-world chaotic systems demonstrate that PhyxMamba delivers superior long-term forecasting and faithfully captures essential dynamical invariants from short-term data. This framework opens new avenues for reliably predicting chaotic systems under observation-scarce conditions, with broad implications across climate science, neuroscience, epidemiology, and beyond. Our code is open-source at https://github.com/tsinghua-fib-lab/PhyxMamba.

We present 3DGH, an unconditional generative model for 3D human heads with composable hair and face components. Unlike previous work that entangles the modeling of hair and face, we propose to separate them using a novel data representation with template-based 3D Gaussian Splatting, in which deformable hair geometry is introduced to capture the geometric variations across different hairstyles. Based on this data representation, we design a 3D GAN-based architecture with dual generators and employ a cross-attention mechanism to model the inherent correlation between hair and face. The model is trained on synthetic renderings using carefully designed objectives to stabilize training and facilitate hair-face separation. We conduct extensive experiments to validate the design choice of 3DGH, and evaluate it both qualitatively and quantitatively by comparing with several state-of-the-art 3D GAN methods, demonstrating its effectiveness in unconditional full-head image synthesis and composable 3D hairstyle editing. More details will be available on our project page: https://c-he.github.io/projects/3dgh/.

Modern techniques for physical simulations rely on numerical schemes and mesh-refinement methods to address trade-offs between precision and complexity, but these handcrafted solutions are tedious and require high computational power. Data-driven methods based on large-scale machine learning promise high adaptivity by integrating long-range dependencies more directly and efficiently. In this work, we focus on fluid dynamics and address the shortcomings of a large part of the literature, which are based on fixed support for computations and predictions in the form of regular or irregular grids. We propose a novel setup to perform predictions in a continuous spatial and temporal domain while being trained on sparse observations. We formulate the task as a double observation problem and propose a solution with two interlinked dynamical systems defined on, respectively, the sparse positions and the continuous domain, which allows to forecast and interpolate a solution from the initial condition. Our practical implementation involves recurrent GNNs and a spatio-temporal attention observer capable of interpolating the solution at arbitrary locations. Our model not only generalizes to new initial conditions (as standard auto-regressive models do) but also performs evaluation at arbitrary space and time locations. We evaluate on three standard datasets in fluid dynamics and compare to strong baselines, which are outperformed both in classical settings and in the extended new task requiring continuous predictions.

3D head animation has seen major quality and runtime improvements over the last few years, particularly empowered by the advances in differentiable rendering and neural radiance fields. Real-time rendering is a highly desirable goal for real-world applications. We propose HeadGaS, a model that uses 3D Gaussian Splats (3DGS) for 3D head reconstruction and animation. In this paper we introduce a hybrid model that extends the explicit 3DGS representation with a base of learnable latent features, which can be linearly blended with low-dimensional parameters from parametric head models to obtain expression-dependent color and opacity values. We demonstrate that HeadGaS delivers state-of-the-art results in real-time inference frame rates, surpassing baselines by up to 2dB, while accelerating rendering speed by over x10.

Convergent Cross Mapping (CCM) is a powerful method for detecting causality in coupled nonlinear dynamical systems, providing a model-free approach to capture dynamic causal interactions. Partial Cross Mapping (PCM) was introduced as an extension of CCM to address indirect causality in three-variable systems by comparing cross-mapping quality between direct cause-effect mapping and indirect mapping through an intermediate conditioning variable. However, PCM remains limited to univariate delay embeddings in its cross-mapping processes. In this work, we extend PCM to the multivariate setting, introducing multiPCM, which leverages multivariate embeddings to more effectively distinguish indirect causal relationships. We further propose a multivariate cross-mapping framework (MXMap) for causal discovery in dynamical systems. This two-phase framework combines (1) pairwise CCM tests to establish an initial causal graph and (2) multiPCM to refine the graph by pruning indirect causal connections. Through experiments on simulated data and the ERA5 Reanalysis weather dataset, we demonstrate the effectiveness of MXMap. Additionally, MXMap is compared against several baseline methods, showing advantages in accuracy and causal graph refinement.

We study the emergence of multi-step reasoning in deep Transformer language models through a geometric and statistical-physics lens. Treating the hidden-state trajectory as a flow on an implicit Riemannian manifold, we analyze the layerwise covariance spectrum of activations, where C^{(ell)}=E[h^{(ell)}h^{(ell)top}], and track deviations from a random-matrix bulk. Across model scales (1.5B--30B), we observe a sharp reduction in effective dimensionality consistent with a phase transition: an order parameter based on sparsity/localization, Ω(h)=1-|h|_1/(d|h|_2), exhibits a discontinuity near a critical normalized depth γ_capprox 0.42 in sufficiently large models. We formalize the forward pass as a discrete coarse-graining map and relate the appearance of stable "concept basins" to fixed points of this renormalization-like dynamics. The resulting low-entropy regime is characterized by a spectral tail collapse and by the formation of transient, reusable object-like structures in representation space, which we call Transient Class Objects (TCOs). We provide theoretical conditions connecting logical separability to spectral decay and validate the predicted signatures with layerwise probes on multiple open-weight model families.

Attractor dynamics are a fundamental computational motif in neural circuits, supporting diverse cognitive functions through stable, self-sustaining patterns of neural activity. In these lecture notes, we review four key examples that demonstrate how autoassociative neural network models can elucidate the computational mechanisms underlying attractor-based information processing in biological neural systems performing cognitive functions. Drawing on empirical evidence, we explore hippocampal spatial representations, visual classification in the inferotemporal cortex, perceptual adaptation and priming, and working-memory biases shaped by sensory history. Across these domains, attractor network models reveal common computational principles and provide analytical insights into how experience shapes neural activity and behavior. Our synthesis underscores the value of attractor models as powerful tools for probing the neural basis of cognition and behavior.

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

Humans constantly contact objects to move and perform tasks. Thus, detecting human-object contact is important for building human-centered artificial intelligence. However, there exists no robust method to detect contact between the body and the scene from an image, and there exists no dataset to learn such a detector. We fill this gap with HOT ("Human-Object conTact"), a new dataset of human-object contacts for images. To build HOT, we use two data sources: (1) We use the PROX dataset of 3D human meshes moving in 3D scenes, and automatically annotate 2D image areas for contact via 3D mesh proximity and projection. (2) We use the V-COCO, HAKE and Watch-n-Patch datasets, and ask trained annotators to draw polygons for the 2D image areas where contact takes place. We also annotate the involved body part of the human body. We use our HOT dataset to train a new contact detector, which takes a single color image as input, and outputs 2D contact heatmaps as well as the body-part labels that are in contact. This is a new and challenging task that extends current foot-ground or hand-object contact detectors to the full generality of the whole body. The detector uses a part-attention branch to guide contact estimation through the context of the surrounding body parts and scene. We evaluate our detector extensively, and quantitative results show that our model outperforms baselines, and that all components contribute to better performance. Results on images from an online repository show reasonable detections and generalizability.

Many papers have shown that attention heads work in conjunction with each other to perform complex tasks. It's frequently assumed that communication between attention heads is via the addition of specific features to token residuals. In this work we seek to isolate and identify the features used to effect communication and coordination among attention heads in GPT-2 small. Our key leverage on the problem is to show that these features are very often sparsely coded in the singular vectors of attention head matrices. We characterize the dimensionality and occurrence of these signals across the attention heads in GPT-2 small when used for the Indirect Object Identification (IOI) task. The sparse encoding of signals, as provided by attention head singular vectors, allows for efficient separation of signals from the residual background and straightforward identification of communication paths between attention heads. We explore the effectiveness of this approach by tracing portions of the circuits used in the IOI task. Our traces reveal considerable detail not present in previous studies, shedding light on the nature of redundant paths present in GPT-2. And our traces go beyond previous work by identifying features used to communicate between attention heads when performing IOI.

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

Generative models inspired by dynamical transport of measure -- such as flows and diffusions -- construct a continuous-time map between two probability densities. Conventionally, one of these is the target density, only accessible through samples, while the other is taken as a simple base density that is data-agnostic. In this work, using the framework of stochastic interpolants, we formalize how to couple the base and the target densities. This enables us to incorporate information about class labels or continuous embeddings to construct dynamical transport maps that serve as conditional generative models. We show that these transport maps can be learned by solving a simple square loss regression problem analogous to the standard independent setting. We demonstrate the usefulness of constructing dependent couplings in practice through experiments in super-resolution and in-painting.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in Wang et al. (2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to 'repair' the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

Denoising diffusion probabilistic models that were initially proposed for realistic image generation have recently shown success in various perception tasks (e.g., object detection and image segmentation) and are increasingly gaining attention in computer vision. However, extending such models to multi-frame human pose estimation is non-trivial due to the presence of the additional temporal dimension in videos. More importantly, learning representations that focus on keypoint regions is crucial for accurate localization of human joints. Nevertheless, the adaptation of the diffusion-based methods remains unclear on how to achieve such objective. In this paper, we present DiffPose, a novel diffusion architecture that formulates video-based human pose estimation as a conditional heatmap generation problem. First, to better leverage temporal information, we propose SpatioTemporal Representation Learner which aggregates visual evidences across frames and uses the resulting features in each denoising step as a condition. In addition, we present a mechanism called Lookup-based MultiScale Feature Interaction that determines the correlations between local joints and global contexts across multiple scales. This mechanism generates delicate representations that focus on keypoint regions. Altogether, by extending diffusion models, we show two unique characteristics from DiffPose on pose estimation task: (i) the ability to combine multiple sets of pose estimates to improve prediction accuracy, particularly for challenging joints, and (ii) the ability to adjust the number of iterative steps for feature refinement without retraining the model. DiffPose sets new state-of-the-art results on three benchmarks: PoseTrack2017, PoseTrack2018, and PoseTrack21.

All embodied agents are fundamentally patterns in physiological or other excitable media, blurring the distinction between objects and processes. Emergent patterns with complex behaviors, such as Gliders in the Game of Life and virtual patterns in Lenia, are powerful model systems in which to understand the properties and origins of behavioral traits in novel agents. To evaluate the behavior of patterns in Lenia, we introduce regions into their environment from which no sensory information is available - in effect, making creatures blind to parts of their surroundings. Complementing the conventional concept of infotaxis, we find that creatures tend to avoid these regions, a behavior we term agnosiophobia. To explain this behavior, we map each test creature's sensitivity to targeted occlusions and interpret the results in the language of dynamical systems. We observe Lenia creatures taking advantage of their freedom to change heading in order to achieve what appears to be a more fundamental goal: the preservation of their morphology. This work illustrates the beginning of an important roadmap to understand how emergent agents' behavioral propensities interact with the informational, not only tangible, topography of their world.

Thermodynamic integration (TI) offers a rigorous method for estimating free-energy differences by integrating over a sequence of interpolating conformational ensembles. However, TI calculations are computationally expensive and typically limited to coupling a small number of degrees of freedom due to the need to sample numerous intermediate ensembles with sufficient conformational-space overlap. In this work, we propose to perform TI along an alchemical pathway represented by a trainable neural network, which we term Neural TI. Critically, we parametrize a time-dependent Hamiltonian interpolating between the interacting and non-interacting systems, and optimize its gradient using a score matching objective. The ability of the resulting energy-based diffusion model to sample all intermediate ensembles allows us to perform TI from a single reference calculation. We apply our method to Lennard-Jones fluids, where we report accurate calculations of the excess chemical potential, demonstrating that Neural TI reproduces the underlying changes in free energy without the need for simulations at interpolating Hamiltonians.

Rayleigh-B\'enard convection (RBC) is a recurrent phenomenon in several industrial and geoscience flows and a well-studied system from a fundamental fluid-mechanics viewpoint. However, controlling RBC, for example by modulating the spatial distribution of the bottom-plate heating in the canonical RBC configuration, remains a challenging topic for classical control-theory methods. In the present work, we apply deep reinforcement learning (DRL) for controlling RBC. We show that effective RBC control can be obtained by leveraging invariant multi-agent reinforcement learning (MARL), which takes advantage of the locality and translational invariance inherent to RBC flows inside wide channels. The MARL framework applied to RBC allows for an increase in the number of control segments without encountering the curse of dimensionality that would result from a naive increase in the DRL action-size dimension. This is made possible by the MARL ability for re-using the knowledge generated in different parts of the RBC domain. We show in a case study that MARL DRL is able to discover an advanced control strategy that destabilizes the spontaneous RBC double-cell pattern, changes the topology of RBC by coalescing adjacent convection cells, and actively controls the resulting coalesced cell to bring it to a new stable configuration. This modified flow configuration results in reduced convective heat transfer, which is beneficial in several industrial processes. Therefore, our work both shows the potential of MARL DRL for controlling large RBC systems, as well as demonstrates the possibility for DRL to discover strategies that move the RBC configuration between different topological configurations, yielding desirable heat-transfer characteristics. These results are useful for both gaining further understanding of the intrinsic properties of RBC, as well as for developing industrial applications.

An implicit Euler finite-volume scheme for a nonlocal cross-diffusion system on the multidimensional torus is analyzed. The equations describe the dynamics of population species with repulsive or attractive interactions. The numerical scheme is based on a generalized Scharfetter-Gummel discretization of the nonlocal flux term. For merely integrable kernel functions, the scheme preserves the positivity, total mass, and entropy structure. The existence of a discrete solution and its convergence to a solution to the continuous problem, as the mesh size tends to zero, are shown. A key difficulty is the degeneracy of the generalized Bernoulli function in the Scharfetter-Gummel approximation. This issue is overcome by proving a uniform estimate for the discrete Fisher information, which requires both the Boltzmann and Rao entropy inequalities. Numerical simulations illustrate the features of the scheme in one and two space dimensions.

Time series foundation models (TSFMs) pretrained on data from multiple domains have shown strong performance on diverse modeling tasks. Various efforts have been made to develop foundation models specific to electroencephalography (EEG) data, which records brain electrical activity as time series. However, no comparative analysis of EEG-specific foundation models (EEGFMs) versus general TSFMs has been performed on EEG-specific tasks. We introduce a novel Spatial-Temporal Adapter with Multi-Head Pooling (STAMP), which leverages univariate embeddings produced by a general TSFM, implicitly models spatial-temporal characteristics of EEG data, and achieves performance comparable to state-of-the-art EEGFMs. A comprehensive analysis is performed on 8 benchmark datasets of clinical tasks using EEG for classification, along with ablation studies. Our proposed adapter is lightweight in trainable parameters and flexible in the inputs it can accommodate, supporting easy modeling of EEG data using TSFMs.

We introduce FaceTalk, a novel generative approach designed for synthesizing high-fidelity 3D motion sequences of talking human heads from input audio signal. To capture the expressive, detailed nature of human heads, including hair, ears, and finer-scale eye movements, we propose to couple speech signal with the latent space of neural parametric head models to create high-fidelity, temporally coherent motion sequences. We propose a new latent diffusion model for this task, operating in the expression space of neural parametric head models, to synthesize audio-driven realistic head sequences. In the absence of a dataset with corresponding NPHM expressions to audio, we optimize for these correspondences to produce a dataset of temporally-optimized NPHM expressions fit to audio-video recordings of people talking. To the best of our knowledge, this is the first work to propose a generative approach for realistic and high-quality motion synthesis of volumetric human heads, representing a significant advancement in the field of audio-driven 3D animation. Notably, our approach stands out in its ability to generate plausible motion sequences that can produce high-fidelity head animation coupled with the NPHM shape space. Our experimental results substantiate the effectiveness of FaceTalk, consistently achieving superior and visually natural motion, encompassing diverse facial expressions and styles, outperforming existing methods by 75% in perceptual user study evaluation.

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

Accurate Subseasonal-to-Seasonal (S2S) ocean simulation is critically important for marine research, yet remains challenging due to its substantial thermal inertia and extended time delay. Machine learning (ML)-based models have demonstrated significant advancements in simulation accuracy and computational efficiency compared to traditional numerical methods. Nevertheless, a significant limitation of current ML models for S2S ocean simulation is their inadequate incorporation of physical consistency and the slow-changing properties of the ocean system. In this work, we propose a neural ocean model (NeuralOM) for S2S ocean simulation with a multi-scale interactive graph neural network to emulate diverse physical phenomena associated with ocean systems effectively. Specifically, we propose a multi-stage framework tailored to model the ocean's slowly changing nature. Additionally, we introduce a multi-scale interactive messaging module to capture complex dynamical behaviors, such as gradient changes and multiplicative coupling relationships inherent in ocean dynamics. Extensive experimental evaluations confirm that our proposed NeuralOM outperforms state-of-the-art models in S2S and extreme event simulation. The codes are available at https://github.com/YuanGao-YG/NeuralOM.

Macroscopic EEG fields can be an explicit top-down neocortical mechanism that directly drives bottom-up processes that describe memory, attention, and other neuronal processes. The top-down mechanism considered are macrocolumnar EEG firings in neocortex, as described by a statistical mechanics of neocortical interactions (SMNI), developed as a magnetic vector potential A. The bottom-up process considered are Ca^{2+} waves prominent in synaptic and extracellular processes that are considered to greatly influence neuronal firings. Here, the complimentary effects are considered, i.e., the influence of A on Ca^{2+} momentum, p. The canonical momentum of a charged particle in an electromagnetic field, mathbfΠ = p + q A (SI units), is calculated, where the charge of Ca^{2+} is q = - 2 e, e is the magnitude of the charge of an electron. Calculations demonstrate that macroscopic EEG A can be quite influential on the momentum p of Ca^{2+} ions, in both classical and quantum mechanics. Molecular scales of Ca^{2+} wave dynamics are coupled with A fields developed at macroscopic regional scales measured by coherent neuronal firing activity measured by scalp EEG. The project has three main aspects: fitting A models to EEG data as reported here, building tripartite models to develop A models, and studying long coherence times of Ca^{2+} waves in the presence of A due to coherent neuronal firings measured by scalp EEG. The SMNI model supports a mechanism wherein the p + q A interaction at tripartite synapses, via a dynamic centering mechanism (DCM) to control background synaptic activity, acts to maintain short-term memory (STM) during states of selective attention.

We provide a concise framework for generalized ensemble theory through a matrix-based approach. By introducing an observation matrix, any discrete probability distribution, including those for non-equilibrium steady states, can be expressed as a generalized Boltzmann distribution, with observables and conjugate variables as the basis and coordinates in a linear space. In this framework, we identify the minimal sufficient statistics required for inferring the Boltzmann distribution. Furthermore, we show that the Hadamard and Vandermonde matrices are suitable observation matrices for spin systems and random walks. In master equation systems, the probability flux observation matrix facilitates the identification of detailed balance violations. Our findings provide a new approach to developing generalized ensemble theory for non-equilibrium steady-state systems.

Rapid advancements in large language models (LLMs) have sparked the question whether these models possess some form of consciousness. To tackle this challenge, Butlin et al. (2023) introduced a list of indicators for consciousness in artificial systems based on neuroscientific theories. In this work, we evaluate a key indicator from this list, called HOT-3, which tests for agency guided by a general belief-formation and action selection system that updates beliefs based on meta-cognitive monitoring. We view beliefs as representations in the model's latent space that emerge in response to a given input, and introduce a metric to quantify their dominance during generation. Analyzing the dynamics between competing beliefs across models and tasks reveals three key findings: (1) external manipulations systematically modulate internal belief formation, (2) belief formation causally drives the model's action selection, and (3) models can monitor and report their own belief states. Together, these results provide empirical support for the existence of belief-guided agency and meta-cognitive monitoring in LLMs. More broadly, our work lays methodological groundwork for investigating the emergence of agency, beliefs, and meta-cognition in LLMs.

Data scarcity in the brain-computer interface field can be alleviated through the use of generative models, specifically diffusion models. While diffusion models have previously been successfully applied to electroencephalogram (EEG) data, existing models lack flexibility w.r.t.~sampling or require alternative representations of the EEG data. To overcome these limitations, we introduce a novel approach to conditional diffusion models that utilizes classifier-free guidance to directly generate subject-, session-, and class-specific EEG data. In addition to commonly used metrics, domain-specific metrics are employed to evaluate the specificity of the generated samples. The results indicate that the proposed model can generate EEG data that resembles real data for each subject, session, and class.

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined by an energy function and a thermodynamic state. Here we propose temperature-steerable flows (TSF) which are able to generate a family of probability densities parametrized by a choosable temperature parameter. TSFs can be embedded in generalized ensemble sampling frameworks to sample a physical system across multiple thermodynamic states.

Retrieval heads, attention heads that copy information from earlier context to the current position, have been proposed as the mechanistic substrate for long-context recall. Rotary position embeddings (RoPE) rotate queries and keys by frequencies decaying with a base hyperparameter theta, and a natural hypothesis is that this rotation either prevents retrieval heads from forming or degrades their function. We test both across four open-weight 7-8B models spanning multi-head and grouped-query attention and a 100x range of theta, using paired-seed needle-in-a-haystack tests, layer-clustered permutation, and causal head-masking. (i) Retrieval heads are causally necessary: masking the 87 detected heads in OLMo-2 collapses recall from 1.00 to 0.00, while masking matched random heads has no effect; this replicates in Qwen. (ii) Higher theta does not reduce retrieval-head count (LLaMA-3.1 at theta=500K has 47 heads vs LLaMA-2 at theta=10K with 42), refuting the prevention hypothesis. (iii) The norm-utility relation is family-specific and significant in opposite directions (Qwen d=-0.49, OLMo d=+0.50, both significant; LLaMA null); since OLMo and LLaMA-3.1 share theta=500K yet differ, the effect is not theta-driven. (iv) Building on Chiang and Yogatama (2025), a controlled patch shows that zeroing the lowest-frequency RoPE dimensions of retrieval heads degrades recall dose-dependently (1.00 to 0.18 when 32 of 128 dimensions are zeroed, vs 0.98 for random dimensions); the effect is head-specific and task-specific. The causal variable is RoPE frequency, not norm-utility. The direction holds in all five models patched (OLMo-2, Qwen2.5-7B/14B, Gemma-2, Mistral) across four lineages and two scales. We do not claim cross-model magnitude. Code and a paired-seed harness are released.

Learning and decision making in the brain are key processes critical to survival, and yet are processes implemented by non-ideal biological building blocks which can impose significant error. We explore quantitatively how the brain might cope with this inherent source of error by taking advantage of two ubiquitous mechanisms, redundancy and synchronization. In particular we consider a neural process whose goal is to learn a decision function by implementing a nonlinear gradient dynamics. The dynamics, however, are assumed to be corrupted by perturbations modeling the error which might be incurred due to limitations of the biology, intrinsic neuronal noise, and imperfect measurements. We show that error, and the associated uncertainty surrounding a learned solution, can be controlled in large part by trading off synchronization strength among multiple redundant neural systems against the noise amplitude. The impact of the coupling between such redundant systems is quantified by the spectrum of the network Laplacian, and we discuss the role of network topology in synchronization and in reducing the effect of noise. A range of situations in which the mechanisms we model arise in brain science are discussed, and we draw attention to experimental evidence suggesting that cortical circuits capable of implementing the computations of interest here can be found on several scales. Finally, simulations comparing theoretical bounds to the relevant empirical quantities show that the theoretical estimates we derive can be tight.

Deep multimodal brain-encoding models now predict fMRI responses to naturalistic video with high accuracy. Whether their predicted neural signals also forecast behavioral engagement is unknown. We run TRIBE, the winning model of the 2025 Algonauts brain-encoding challenge (Llama-3.2 + V-JEPA2 + Wav2Vec-BERT), on 48 YouTube videos and reduce its predicted cortical response to a per-second engagement curve, the global field power. Correlated against each video's "most replayed" heatmap, a passively-collected proxy for which moments viewers return to, the curve shows no evidence of predicting re-watch behavior. The pooled position-controlled partial correlation is +0.058 (95% CI [-0.04, 0.15]; one-sample t(47)=1.21, p=0.23), indistinguishable from zero and not significantly above simple loudness and motion baselines (loudness +0.04, paired p=0.74). The raw correlation is also near zero; the moderate values reported for music videos reflect a genre-specific intro/onset-replay artifact rather than content prediction, and do not generalize. The null holds across six cortical-network readouts and under an autocorrelation-preserving permutation test. We release the code, the video-ID manifest, and an acquisition method that works despite YouTube's SABR-only streaming.

The success of vision transformers-especially for generative modeling-is limited by the quadratic cost and weak spatial inductive bias of self-attention. We propose PDE-SSM, a spatial state-space block that replaces attention with a learnable convection-diffusion-reaction partial differential equation. This operator encodes a strong spatial prior by modeling information flow via physically grounded dynamics rather than all-to-all token interactions. Solving the PDE in the Fourier domain yields global coupling with near-linear complexity of O(N log N), delivering a principled and scalable alternative to attention. We integrate PDE-SSM into a flow-matching generative model to obtain the PDE-based Diffusion Transformer PDE-SSM-DiT. Empirically, PDE-SSM-DiT matches or exceeds the performance of state-of-the-art Diffusion Transformers while substantially reducing compute. Our results show that, analogous to 1D settings where SSMs supplant attention, multi-dimensional PDE operators provide an efficient, inductive-bias-rich foundation for next-generation vision models.

Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

Brain signal visualization has emerged as an active research area, serving as a critical interface between the human visual system and computer vision models. Although diffusion models have shown promise in analyzing functional magnetic resonance imaging (fMRI) data, including reconstructing high-quality images consistent with original visual stimuli, their accuracy in extracting semantic and silhouette information from brain signals remains limited. In this regard, we propose a novel approach, referred to as Controllable Mind Visual Diffusion Model (CMVDM). CMVDM extracts semantic and silhouette information from fMRI data using attribute alignment and assistant networks. Additionally, a residual block is incorporated to capture information beyond semantic and silhouette features. We then leverage a control model to fully exploit the extracted information for image synthesis, resulting in generated images that closely resemble the visual stimuli in terms of semantics and silhouette. Through extensive experimentation, we demonstrate that CMVDM outperforms existing state-of-the-art methods both qualitatively and quantitatively.

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

Image-based head swapping task aims to stitch a source head to another source body flawlessly. This seldom-studied task faces two major challenges: 1) Preserving the head and body from various sources while generating a seamless transition region. 2) No paired head swapping dataset and benchmark so far. In this paper, we propose a semantic-mixing diffusion model for head swapping (HS-Diffusion) which consists of a latent diffusion model (LDM) and a semantic layout generator. We blend the semantic layouts of source head and source body, and then inpaint the transition region by the semantic layout generator, achieving a coarse-grained head swapping. Semantic-mixing LDM can further implement a fine-grained head swapping with the inpainted layout as condition by a progressive fusion process, while preserving head and body with high-quality reconstruction. To this end, we propose a semantic calibration strategy for natural inpainting and a neck alignment for geometric realism. Importantly, we construct a new image-based head swapping benchmark and design two tailor-designed metrics (Mask-FID and Focal-FID). Extensive experiments demonstrate the superiority of our framework. The code will be available: https://github.com/qinghew/HS-Diffusion.

We introduce Brain-JEPA, a brain dynamics foundation model with the Joint-Embedding Predictive Architecture (JEPA). This pioneering model achieves state-of-the-art performance in demographic prediction, disease diagnosis/prognosis, and trait prediction through fine-tuning. Furthermore, it excels in off-the-shelf evaluations (e.g., linear probing) and demonstrates superior generalizability across different ethnic groups, surpassing the previous large model for brain activity significantly. Brain-JEPA incorporates two innovative techniques: Brain Gradient Positioning and Spatiotemporal Masking. Brain Gradient Positioning introduces a functional coordinate system for brain functional parcellation, enhancing the positional encoding of different Regions of Interest (ROIs). Spatiotemporal Masking, tailored to the unique characteristics of fMRI data, addresses the challenge of heterogeneous time-series patches. These methodologies enhance model performance and advance our understanding of the neural circuits underlying cognition. Overall, Brain-JEPA is paving the way to address pivotal questions of building brain functional coordinate system and masking brain activity at the AI-neuroscience interface, and setting a potentially new paradigm in brain activity analysis through downstream adaptation.

Transformer architectures have revolutionized artificial intelligence (AI) through their attention mechanisms, yet the computational principles underlying their success remain opaque. We present a novel theoretical framework that reinterprets the core computation of attention as Pavlovian conditioning. Our model finds a direct mathematical analogue in linear attention, which simplifies the analysis of the underlying associative process. We demonstrate that attention's queries, keys, and values can be mapped to the three elements of classical conditioning: test stimuli that probe associations, conditional stimuli (CS) that serve as retrieval cues, and unconditional stimuli (US) that contain response information. Through this lens, we suggest that each attention operation constructs a transient associative memory via a Hebbian rule, where CS-US pairs form dynamic associations that test stimuli can later retrieve. Our framework yields several theoretical insights grounded in this linearized model: (1) a capacity theorem showing that attention heads can store O(d_k) associations before interference degrades retrieval; (2) an error propagation analysis revealing fundamental architectural trade-offs of balancing model depth, width, and head redundancy to maintain reliability; and (3) an understanding of how biologically plausible learning rules could enhance transformer architectures. By establishing this deep connection, we suggest that the success of modern AI may stem not from architectural novelty alone, but from implementing computational principles that biology optimized over millions of years of evolution.

A primary challenge in using neural networks to approximate nonlinear dynamical systems governed by partial differential equations (PDEs) is transforming these systems into a suitable format, especially when dealing with non-linearizable dynamics or the need for infinite-dimensional spaces for linearization. This paper introduces DyMixOp, a novel neural operator framework for PDEs that integrates insights from complex dynamical systems to address this challenge. Grounded in inertial manifold theory, DyMixOp transforms infinite-dimensional nonlinear PDE dynamics into a finite-dimensional latent space, establishing a structured foundation that maintains essential nonlinear interactions and enhances physical interpretability. A key innovation is the Local-Global-Mixing (LGM) transformation, inspired by convection dynamics in turbulence. This transformation effectively captures both fine-scale details and nonlinear interactions, while mitigating spectral bias commonly found in existing neural operators. The framework is further strengthened by a dynamics-informed architecture that connects multiple LGM layers to approximate linear and nonlinear dynamics, reflecting the temporal evolution of dynamical systems. Experimental results across diverse PDE benchmarks demonstrate that DyMixOp achieves state-of-the-art performance, significantly reducing prediction errors, particularly in convection-dominated scenarios reaching up to 86.7\%, while maintaining computational efficiency and scalability.

Human head detection, keypoint estimation, and 3D head model fitting are important tasks with many applications. However, traditional real-world datasets often suffer from bias, privacy, and ethical concerns, and they have been recorded in laboratory environments, which makes it difficult for trained models to generalize. Here, we introduce VGGHeads -- a large scale synthetic dataset generated with diffusion models for human head detection and 3D mesh estimation. Our dataset comprises over 1 million high-resolution images, each annotated with detailed 3D head meshes, facial landmarks, and bounding boxes. Using this dataset we introduce a new model architecture capable of simultaneous heads detection and head meshes reconstruction from a single image in a single step. Through extensive experimental evaluations, we demonstrate that models trained on our synthetic data achieve strong performance on real images. Furthermore, the versatility of our dataset makes it applicable across a broad spectrum of tasks, offering a general and comprehensive representation of human heads. Additionally, we provide detailed information about the synthetic data generation pipeline, enabling it to be re-used for other tasks and domains.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

The remarkable capabilities of modern large reasoning models are largely unlocked through post-training techniques such as supervised fine-tuning and reinforcement learning. However, the architectural mechanisms behind such improvements remain largely opaque. In this work, we use circuit analysis to demonstrate that post-training for complex reasoning sparks the emergence of novel, functionally specialized attention heads. These heads collectively support structured reasoning and computation. Our comparative analysis across Qwen families and DeepSeek-distilled model reveals that these emergent heads evolve differently under different training regimes. Distillation and SFT foster a cumulative addition of stable reasoning heads. In contrast, group relative policy optimization operates in a dynamic search mode: relatively few attention heads are iteratively activated, evaluated, and pruned, with their survival closely tracking fluctuations in the task reward signal. Furthermore, we find that controllable think on/off models do not possess dedicated thinking heads. Instead, turning off explicit reasoning triggers a broader-but less efficient-set of compensatory heads. Through ablation and qualitative analyses, we connect these circuit-level dynamics to a crucial performance trade-off: strengthened heads enable sophisticated problem-solving strategies for difficult problems but can also introduce over-thinking failure modes, such as calculation errors or logical loops on simpler tasks. These findings connect circuit-level dynamics to macro-level performance, identifying an inherent tension where complex reasoning comes at the cost of elementary computations. More broadly, our work points to future directions for training policy design, emphasizing the need to balance the development of effective reasoning strategies with the assurance of reliable, flawless execution.

In this study, we propose a multi branched network approach to predict the dynamics of a physics attractor characterized by intricate and chaotic behavior. We introduce a unique neural network architecture comprised of Radial Basis Function (RBF) layers combined with an attention mechanism designed to effectively capture nonlinear inter-dependencies inherent in the attractor's temporal evolution. Our results demonstrate successful prediction of the attractor's trajectory across 100 predictions made using a real-world dataset of 36,700 time-series observations encompassing approximately 28 minutes of activity. To further illustrate the performance of our proposed technique, we provide comprehensive visualizations depicting the attractor's original and predicted behaviors alongside quantitative measures comparing observed versus estimated outcomes. Overall, this work showcases the potential of advanced machine learning algorithms in elucidating hidden structures in complex physical systems while offering practical applications in various domains requiring accurate short-term forecasting capabilities.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

Exact firing rate models, also known as next-generation neural mass models (NG-NMMs), provide a rigorous description of the dynamics of neural populations. While in its simplest form a single population only displays fixed-point activity, multi-population models may display a range of different behaviors. In this work, we study the dynamics of all-excitatory or all-inhibitory NG-NMMs coupled through sparse random networks with row-normalized network topology. Linear stability analysis of the homogeneous states of the system, representing asynchronous neural activity, provides a dispersion relation linking the emergence of spatiotemporal dynamics to the spectra of the connectivity matrix. Using bounds from random matrix theory, we identify the parameter regions where instabilities occur. In undirected networks, only inhibitory systems produce heterogeneous stationary patterns, corresponding to a winner-takes-all mechanism. In directed networks, exotic rhythmic states with high frequencies emerge in both, excitatory and inhibitory systems. Numerical simulations reveal that these hectic oscillatory states correspond to high-dimensional chaos with extensive properties.

Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn partial differential equations from data. Specifically, our proposed finite difference inspired network is designed to learn the underlying governing partial differential equations from trajectory data, and to iteratively estimate the future dynamical behavior using only a few trainable parameters. We illustrate the performance (predictive power) of our framework on the heat equation, with and without noise and/or forcing, and compare our results to the Forward Euler method. Moreover, we show the advantages of using a Hessian-Free Trust Region method to train the network.

Dynamic neuroimaging data, such as emission tomography measurements of radiotracer transport in blood or cerebrospinal fluid, often exhibit diffusion-like properties. These introduce distance-dependent temporal delays, scale-differences, and stretching effects that limit the effectiveness of conventional linear modeling and decomposition methods. To address this, we present the shift- and stretch-invariant non-negative matrix factorization framework. Our approach estimates both integer and non-integer temporal shifts as well as temporal stretching, all implemented in the frequency domain, where shifts correspond to phase modifications, and where stretching is handled via zero-padding or truncation. The model is implemented in PyTorch (https://github.com/anders-s-olsen/shiftstretchNMF). We demonstrate on synthetic data and brain emission tomography data that the model is able to account for stretching to provide more detailed characterization of brain tissue structure.

Understanding the connections between artificial and biological intelligent systems can reveal fundamental principles underlying general intelligence. While many artificial intelligence (AI) models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between attention heads and human episodic memory. We focus on the induction heads, which contribute to the in-context learning capabilities of Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate model layers and that their behavior qualitatively mirrors the memory biases seen in humans. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.

Autoregressive video diffusion models support real-time synthesis but suffer from error accumulation and context loss over long horizons. We discover that attention heads in AR video diffusion transformers serve functionally distinct roles as local heads for detail refinement, anchor heads for structural stabilization, and memory heads for long-range context aggregation, yet existing methods treat them uniformly, leading to suboptimal KV cache allocation. We propose Head Forcing, a training-free framework that assigns each head type a tailored KV cache strategy: local and anchor heads retain only essential tokens, while memory heads employ a hierarchical memory system with dynamic episodic updates for long-range consistency. A head-wise RoPE re-encoding scheme further ensures positional encodings remain within the pretrained range. Without additional training, Head Forcing extends generation from 5 seconds to minute-level duration, supports multi-prompt interactive synthesis, and consistently outperforms existing baselines. Project Page: https://jiahaotian-sjtu.github.io/headforcing.github.io/.

Water looks unchanged as it warms, then at a critical point it boils. We ask whether long-horizon language agents show an analogous transition in their implicit world models. In some parameter settings, changing state load by a small amount, or adding a single step of horizon, leaves behavior nearly unchanged; near a critical boundary, the same small change causes a sudden world collapse. We study this effect in a deterministic task family with exact per-step gold state. A large grid search over state cardinality, dependency density, horizon, branching, observation mode, and mutation rate reveals a phase diagram: a solved plateau, a narrow transition band, and a collapse floor. Per-step traces show the mechanism: world-state fidelity fails before action validity, so the agent is not merely choosing a bad action; it is acting from a corrupted world. Stronger models translate the critical boundary but do not remove the qualitative transition. These results make world-model collapse a measurable bottleneck for long-horizon agents.

This study introduces amangkurat, an open-source Python library designed for the robust numerical simulation of relativistic scalar field dynamics governed by the nonlinear Klein-Gordon equation in (1+1)D spacetime. The software implements a hybrid computational strategy that couples Fourier pseudo-spectral spatial discretization with a symplectic Størmer-Verlet temporal integrator, ensuring both exponential spatial convergence for smooth solutions and long-term preservation of Hamiltonian structure. To optimize performance, the solver incorporates adaptive timestepping based on Courant-Friedrichs-Lewy (CFL) stability criteria and utilizes Just-In-Time (JIT) compilation for parallelized force computation. The library's capabilities are validated across four canonical physical regimes: dispersive linear wave propagation, static topological kink preservation in phi-fourth theory, integrable breather dynamics in the sine-Gordon model, and non-integrable kink-antikink collisions. Beyond standard numerical validation, this work establishes a multi-faceted analysis framework employing information-theoretic entropy metrics (Shannon, Rényi, and Tsallis), kernel density estimation, and phase space reconstruction to quantify the distinct phenomenological signatures of these regimes. Statistical hypothesis testing confirms that these scenarios represent statistically distinguishable dynamical populations. Benchmarks on standard workstation hardware demonstrate that the implementation achieves high computational efficiency, making it a viable platform for exploratory research and education in nonlinear field theory.

Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as geometric graphs, i.e., graphs with nodes positioned in the Euclidean space given an arbitrarily chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as Galilean invariance. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate frames per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate frames allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate that the proposed approach comfortably outperforms the recent state-of-the-art.

Prior studies on the emergence in large models have primarily focused on how the functional capabilities of large language models (LLMs) scale with model size. Our research, however, transcends this traditional paradigm, aiming to deepen our understanding of the emergence within LLMs by placing a special emphasis not just on the model size but more significantly on the complex behavior of neuron interactions during the training process. By introducing the concepts of "self-organization" and "multifractal analysis," we explore how neuron interactions dynamically evolve during training, leading to "emergence," mirroring the phenomenon in natural systems where simple micro-level interactions give rise to complex macro-level behaviors. To quantitatively analyze the continuously evolving interactions among neurons in large models during training, we propose the Neuron-based Multifractal Analysis (NeuroMFA). Utilizing NeuroMFA, we conduct a comprehensive examination of the emergent behavior in LLMs through the lens of both model size and training process, paving new avenues for research into the emergence in large models.

Language is an intricately structured system, and a key goal of NLP interpretability is to provide methodological insights for understanding how language models represent this structure internally. In this paper, we use Shapley Taylor interaction indices (STII) in order to examine how language and speech models internally relate and structure their inputs. Pairwise Shapley interactions measure how much two inputs work together to influence model outputs beyond if we linearly added their independent influences, providing a view into how models encode structural interactions between inputs. We relate the interaction patterns in models to three underlying linguistic structures: syntactic structure, non-compositional semantics, and phonetic coarticulation. We find that autoregressive text models encode interactions that correlate with the syntactic proximity of inputs, and that both autoregressive and masked models encode nonlinear interactions in idiomatic phrases with non-compositional semantics. Our speech results show that inputs are more entangled for pairs where a neighboring consonant is likely to influence a vowel or approximant, showing that models encode the phonetic interaction needed for extracting discrete phonemic representations.

Minimal Phenomenal Experiences (MPEs) are states of consciousness in which wakefulness is preserved but phenomenal content is low or absent. The Entropic Brain Hypothesis (EBH) is a model of conscious processes that regards the entropy of spontaneous brain activity as a marker of 'phenomenal richness', exemplified by high-content psychedelic experiences (HCPEs). Yet recent human neuroimaging studies of MPEs induced by meditation -- and possibly 5-MeO-DMT -- suggest that these states, defined by their phenomenological simplicity, also show signs of increased neurophysiological entropy. This presents a conundrum for the EBH: brain entropy is elevated with increased and decreased richness of the phenomenal experience. Here, we put forward the Complex Brain Hypothesis (CBH), which proposes that the richness of experience differentiating MPEs from HCPEs is better indexed by complexity than by entropy. We argue that brain complexity is modulated by the grain of inference through which the brain resolves uncertainty: some HCPEs exemplify a fine-grained regime, in which loosened constraints amplify fluctuations into proliferating content, whereas some MPEs exemplify a coarse-grained regime, in which a simpler model dissolves variety into an experience of 'contentless' awareness. Both regimes can be associated with elevated brain entropy, but they diverge in phenomenology and perturbational signatures. By resolving the entropy-content conundrum, the CBH refines the EBH and highlights MPEs as an important test case for computational theories of consciousness.

Colloquially speaking, image generation models based upon diffusion processes are frequently said to exhibit "hallucinations," samples that could never occur in the training data. But where do such hallucinations come from? In this paper, we study a particular failure mode in diffusion models, which we term mode interpolation. Specifically, we find that diffusion models smoothly "interpolate" between nearby data modes in the training set, to generate samples that are completely outside the support of the original training distribution; this phenomenon leads diffusion models to generate artifacts that never existed in real data (i.e., hallucinations). We systematically study the reasons for, and the manifestation of this phenomenon. Through experiments on 1D and 2D Gaussians, we show how a discontinuous loss landscape in the diffusion model's decoder leads to a region where any smooth approximation will cause such hallucinations. Through experiments on artificial datasets with various shapes, we show how hallucination leads to the generation of combinations of shapes that never existed. Finally, we show that diffusion models in fact know when they go out of support and hallucinate. This is captured by the high variance in the trajectory of the generated sample towards the final few backward sampling process. Using a simple metric to capture this variance, we can remove over 95% of hallucinations at generation time while retaining 96% of in-support samples. We conclude our exploration by showing the implications of such hallucination (and its removal) on the collapse (and stabilization) of recursive training on synthetic data with experiments on MNIST and 2D Gaussians dataset. We release our code at https://github.com/locuslab/diffusion-model-hallucination.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

We present a novel semantic model for human head defined with neural radiance field. The 3D-consistent head model consist of a set of disentangled and interpretable bases, and can be driven by low-dimensional expression coefficients. Thanks to the powerful representation ability of neural radiance field, the constructed model can represent complex facial attributes including hair, wearings, which can not be represented by traditional mesh blendshape. To construct the personalized semantic facial model, we propose to define the bases as several multi-level voxel fields. With a short monocular RGB video as input, our method can construct the subject's semantic facial NeRF model with only ten to twenty minutes, and can render a photo-realistic human head image in tens of miliseconds with a given expression coefficient and view direction. With this novel representation, we apply it to many tasks like facial retargeting and expression editing. Experimental results demonstrate its strong representation ability and training/inference speed. Demo videos and released code are provided in our project page: https://ustc3dv.github.io/NeRFBlendShape/

In hyperspectral image classification (HSIC), most deep learning models rely on opaque spectral-spatial feature mixing, limiting their interpretability and hindering understanding of internal decision mechanisms. We present physical spectrum-aware white-box mHC, named ES-mHC, a hyper-connection framework that explicitly models interactions among different electromagnetic spectrum groupings (residual stream in mHC) interactions using structured, directional matrices. By separating feature representation from interaction structure, ES-mHC promotes electromagnetic spectrum grouping specialization, reduces redundancy, and exposes internal information flow that can be directly visualized and spatially analyzed. Using hyperspectral image classification as a representative testbed, we demonstrate that the learned hyper-connection matrices exhibit coherent spatial patterns and asymmetric interaction behaviors, providing mechanistic insight into the model internal dynamics. Furthermore, we find that increasing the expansion rate accelerates the emergence of structured interaction patterns. These results suggest that ES-mHC transforms HSIC from a purely black-box prediction task into a structurally transparent, partially white-box learning process.

Models of neural responses to stimuli with complex spatiotemporal correlation structure often assume that neurons are only selective for a small number of linear projections of a potentially high-dimensional input. Here we explore recent modeling approaches where the neural response depends on the quadratic form of the input rather than on its linear projection, that is, the neuron is sensitive to the local covariance structure of the signal preceding the spike. To infer this quadratic dependence in the presence of arbitrary (e.g. naturalistic) stimulus distribution, we review several inference methods, focussing in particular on two information-theory-based approaches (maximization of stimulus energy or of noise entropy) and a likelihood-based approach (Bayesian spike-triggered covariance, extensions of generalized linear models). We analyze the formal connection between the likelihood-based and information-based approaches to show how they lead to consistent inference. We demonstrate the practical feasibility of these procedures by using model neurons responding to a flickering variance stimulus.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO.

World models learn to predict future states of an environment, enabling planning and mental simulation. Current approaches default to Transformer-based predictors operating in learned latent spaces. This comes at a cost: O(N^2) computation and no explicit spatial inductive bias. This paper asks a foundational question: is self-attention necessary for predictive world modeling, or can alternative computational substrates achieve comparable or superior results? I introduce FluidWorld, a proof-of-concept world model whose predictive dynamics are governed by partial differential equations (PDEs) of reaction-diffusion type. Instead of using a separate neural network predictor, the PDE integration itself produces the future state prediction. In a strictly parameter-matched three-way ablation on unconditional UCF-101 video prediction (64x64, ~800K parameters, identical encoder, decoder, losses, and data), FluidWorld is compared against both a Transformer baseline (self-attention) and a ConvLSTM baseline (convolutional recurrence). While all three models converge to comparable single-step prediction loss, FluidWorld achieves 2x lower reconstruction error, produces representations with 10-15% higher spatial structure preservation and 18-25% more effective dimensionality, and critically maintains coherent multi-step rollouts where both baselines degrade rapidly. All experiments were conducted on a single consumer-grade PC (Intel Core i5, NVIDIA RTX 4070 Ti), without any large-scale compute. These results establish that PDE-based dynamics, which natively provide O(N) spatial complexity, adaptive computation, and global spatial coherence through diffusion, are a viable and parameter-efficient alternative to both attention and convolutional recurrence for world modeling.

Attention is a powerful and ubiquitous mechanism for allowing neural models to focus on particular salient pieces of information by taking their weighted average when making predictions. In particular, multi-headed attention is a driving force behind many recent state-of-the-art NLP models such as Transformer-based MT models and BERT. These models apply multiple attention mechanisms in parallel, with each attention "head" potentially focusing on different parts of the input, which makes it possible to express sophisticated functions beyond the simple weighted average. In this paper we make the surprising observation that even if models have been trained using multiple heads, in practice, a large percentage of attention heads can be removed at test time without significantly impacting performance. In fact, some layers can even be reduced to a single head. We further examine greedy algorithms for pruning down models, and the potential speed, memory efficiency, and accuracy improvements obtainable therefrom. Finally, we analyze the results with respect to which parts of the model are more reliant on having multiple heads, and provide precursory evidence that training dynamics play a role in the gains provided by multi-head attention.

This paper introduces a continuous-time stochastic dynamical framework for understanding how large language models (LLMs) may self-amplify latent biases or toxicity through their own chain-of-thought reasoning. The model posits an instantaneous "severity" variable x(t) in [0,1] evolving under a stochastic differential equation (SDE) with a drift term μ(x) and diffusion σ(x). Crucially, such a process can be consistently analyzed via the Fokker--Planck approach if each incremental step behaves nearly Markovian in severity space. The analysis investigates critical phenomena, showing that certain parameter regimes create phase transitions from subcritical (self-correcting) to supercritical (runaway severity). The paper derives stationary distributions, first-passage times to harmful thresholds, and scaling laws near critical points. Finally, it highlights implications for agents and extended LLM reasoning models: in principle, these equations might serve as a basis for formal verification of whether a model remains stable or propagates bias over repeated inferences.

The deep neural nets of modern artificial intelligence (AI) have not achieved defining features of biological intelligence, including abstraction, causal learning, and energy-efficiency. While scaling to larger models has delivered performance improvements for current applications, more brain-like capacities may demand new theories, models, and methods for designing artificial learning systems. Here, we argue that this opportunity to reassess insights from the brain should stimulate cooperation between AI research and theory-driven computational neuroscience (CN). To motivate a brain basis of neural computation, we present a dynamical view of intelligence from which we elaborate concepts of sparsity in network structure, temporal dynamics, and interactive learning. In particular, we suggest that temporal dynamics, as expressed through neural synchrony, nested oscillations, and flexible sequences, provide a rich computational layer for reading and updating hierarchical models distributed in long-term memory networks. Moreover, embracing agent-centered paradigms in AI and CN will accelerate our understanding of the complex dynamics and behaviors that build useful world models. A convergence of AI/CN theories and objectives will reveal dynamical principles of intelligence for brains and engineered learning systems. This article was inspired by our symposium on dynamical neuroscience and machine learning at the 6th Annual US/NIH BRAIN Initiative Investigators Meeting.

The friction coefficient of a particle can depend on its position as it does when the particle is near a wall. We formulate the dynamics of particles with such state-dependent friction coefficients in terms of a general Langevin equation with multiplicative noise, whose evaluation requires the introduction of specific rules. Two common conventions, the Ito and the Stratonovich, provide alternative rules for evaluation of the noise, but other conventions are possible. We show the requirement that a particle's distribution function approach the Boltzmann distribution at long times dictates that a drift term must be added to the Langevin equation. This drift term is proportional to the derivative of the diffusion coefficient times a factor that depends on the convention used to define the multiplicative noise. We explore the consequences of this result in a number examples with spatially varying diffusion coefficients. We also derive path integral representations for arbitrary interpretation of the noise, and use it in a perturbative study of correlations in a simple system.

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

Inferring past human motion from RGB images is challenging due to the inherent uncertainty of the prediction problem. Thermal images, on the other hand, encode traces of past human-object interactions left in the environment via thermal radiation measurement. Based on this observation, we collect the first RGB-Thermal dataset for human motion analysis, dubbed Thermal-IM. Then we develop a three-stage neural network model for accurate past human pose estimation. Comprehensive experiments show that thermal cues significantly reduce the ambiguities of this task, and the proposed model achieves remarkable performance. The dataset is available at https://github.com/ZitianTang/Thermal-IM.

Neural Flows efficiently model irregular multivariate time series by directly learning ODE solution trajectories with neural networks, bypassing step-by-step numerical solvers. Despite their efficiency, many existing approaches treat variables independently, leaving inter-variable interactions underexplored. Moreover, their one-step mapping makes interaction modeling inherently challenging, as it removes the iterative refinement of interactions during learning. To address this challenge, we propose one-step Graph-Structured Neural Flows (GSNF), which introduce two auxiliary-trajectory self-supervision strategies to strengthen interaction learning: (i) interaction-aware trajectory generation via re-initialization, which induces trajectory divergence to expose graph-induced interactions, with a theoretically derived lower bound on divergence; and (ii) reverse-time trajectory generation, which enforces forward-backward consistency to regularize graph learning, enabled by flow invertibility. Experiments on five real-world datasets show that GSNF achieves state-of-the-art classification performance with highly competitive training time and memory usage.