Daily Papers

Understanding training dynamics and feature evolution is crucial for the mechanistic interpretability of large language models (LLMs). Although sparse autoencoders (SAEs) have been used to identify features within LLMs, a clear picture of how these features evolve during training remains elusive. In this study, we: (1) introduce SAE-Track, a novel method to efficiently obtain a continual series of SAEs; (2) mechanistically investigate feature formation and develop a progress measure for it ; and (3) analyze and visualize feature drift during training. Our work provides new insights into the dynamics of features in LLMs, enhancing our understanding of training mechanisms and feature evolution.

Pre-trained transformers are often fine-tuned to aid clinical decision-making using limited clinical notes. Model interpretability is crucial, especially in high-stakes domains like medicine, to establish trust and ensure safety, which requires human engagement. We introduce SUFO, a systematic framework that enhances interpretability of fine-tuned transformer feature spaces. SUFO utilizes a range of analytic and visualization techniques, including Supervised probing, Unsupervised similarity analysis, Feature dynamics, and Outlier analysis to address key questions about model trust and interpretability. We conduct a case study investigating the impact of pre-training data where we focus on real-world pathology classification tasks, and validate our findings on MedNLI. We evaluate five 110M-sized pre-trained transformer models, categorized into general-domain (BERT, TNLR), mixed-domain (BioBERT, Clinical BioBERT), and domain-specific (PubMedBERT) groups. Our SUFO analyses reveal that: (1) while PubMedBERT, the domain-specific model, contains valuable information for fine-tuning, it can overfit to minority classes when class imbalances exist. In contrast, mixed-domain models exhibit greater resistance to overfitting, suggesting potential improvements in domain-specific model robustness; (2) in-domain pre-training accelerates feature disambiguation during fine-tuning; and (3) feature spaces undergo significant sparsification during this process, enabling clinicians to identify common outlier modes among fine-tuned models as demonstrated in this paper. These findings showcase the utility of SUFO in enhancing trust and safety when using transformers in medicine, and we believe SUFO can aid practitioners in evaluating fine-tuned language models for other applications in medicine and in more critical domains.

Understanding how features evolve across layers in deep neural networks is a fundamental challenge in mechanistic interpretability, particularly due to polysemanticity and feature superposition. While Sparse Autoencoders (SAEs) have been used to extract interpretable features from individual layers, aligning these features across layers has remained an open problem. In this paper, we introduce SAE Match, a novel, data-free method for aligning SAE features across different layers of a neural network. Our approach involves matching features by minimizing the mean squared error between the folded parameters of SAEs, a technique that incorporates activation thresholds into the encoder and decoder weights to account for differences in feature scales. Through extensive experiments on the Gemma 2 language model, we demonstrate that our method effectively captures feature evolution across layers, improving feature matching quality. We also show that features persist over several layers and that our approach can approximate hidden states across layers. Our work advances the understanding of feature dynamics in neural networks and provides a new tool for mechanistic interpretability studies.

Diffusion Transformers (DiT), an emerging image and video generation model architecture, has demonstrated great potential because of its high generation quality and scalability properties. Despite the impressive performance, its practical deployment is constrained by computational complexity and redundancy in the sequential denoising process. While feature caching across timesteps has proven effective in accelerating diffusion models, its application to DiT is limited by fundamental architectural differences from U-Net-based approaches. Through empirical analysis of DiT feature dynamics, we identify that significant feature variation between DiT blocks presents a key challenge for feature reusability. To address this, we convert standard DiT into Skip-DiT with skip branches to enhance feature smoothness. Further, we introduce Skip-Cache which utilizes the skip branches to cache DiT features across timesteps at the inference time. We validated effectiveness of our proposal on different DiT backbones for video and image generation, showcasing skip branches to help preserve generation quality and achieve higher speedup. Experimental results indicate that Skip-DiT achieves a 1.5x speedup almost for free and a 2.2x speedup with only a minor reduction in quantitative metrics. Code is available at https://github.com/OpenSparseLLMs/Skip-DiT.git.

Learning representations that generalize under distribution shifts is critical for building robust machine learning models. However, despite significant efforts in recent years, algorithmic advances in this direction have been limited. In this work, we seek to understand the fundamental difficulty of out-of-distribution generalization with deep neural networks. We first empirically show that perhaps surprisingly, even allowing a neural network to explicitly fit the representations obtained from a teacher network that can generalize out-of-distribution is insufficient for the generalization of the student network. Then, by a theoretical study of two-layer ReLU networks optimized by stochastic gradient descent (SGD) under a structured feature model, we identify a fundamental yet unexplored feature learning proclivity of neural networks, feature contamination: neural networks can learn uncorrelated features together with predictive features, resulting in generalization failure under distribution shifts. Notably, this mechanism essentially differs from the prevailing narrative in the literature that attributes the generalization failure to spurious correlations. Overall, our results offer new insights into the non-linear feature learning dynamics of neural networks and highlight the necessity of considering inductive biases in out-of-distribution generalization.

Pre-training has been a popular learning paradigm in deep learning era, especially in annotation-insufficient scenario. Better ImageNet pre-trained models have been demonstrated, from the perspective of architecture, by previous research to have better transferability to downstream tasks. However, in this paper, we found that during the same pre-training process, models at middle epochs, which is inadequately pre-trained, can outperform fully trained models when used as feature extractors (FE), while the fine-tuning (FT) performance still grows with the source performance. This reveals that there is not a solid positive correlation between top-1 accuracy on ImageNet and the transferring result on target data. Based on the contradictory phenomenon between FE and FT that better feature extractor fails to be fine-tuned better accordingly, we conduct comprehensive analyses on features before softmax layer to provide insightful explanations. Our discoveries suggest that, during pre-training, models tend to first learn spectral components corresponding to large singular values and the residual components contribute more when fine-tuning.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

Diffusion large language models (dLLMs) generate text through iterative denoising, yet current decoding strategies discard rich intermediate predictions in favor of the final output. Our work here reveals a critical phenomenon, temporal oscillation, where correct answers often emerge in the middle process, but are overwritten in later denoising steps. To address this issue, we introduce two complementary methods that exploit temporal consistency: 1) Temporal Self-Consistency Voting, a training-free, test-time decoding strategy that aggregates predictions across denoising steps to select the most consistent output; and 2) a post-training method termed Temporal Consistency Reinforcement, which uses Temporal Semantic Entropy (TSE), a measure of semantic stability across intermediate predictions, as a reward signal to encourage stable generations. Empirical results across multiple benchmarks demonstrate the effectiveness of our approach. Using the negative TSE reward alone, we observe a remarkable average improvement of 24.7% on the Countdown dataset over an existing dLLM. Combined with the accuracy reward, we achieve absolute gains of 2.0% on GSM8K, 4.3% on MATH500, 6.6% on SVAMP, and 25.3% on Countdown, respectively. Our findings underscore the untapped potential of temporal dynamics in dLLMs and offer two simple yet effective tools to harness them.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Event-based cameras are ideal for line-based motion estimation, since they predominantly respond to edges in the scene. However, accurately determining the camera displacement based on events continues to be an open problem. This is because line feature extraction and dynamics estimation are tightly coupled when using event cameras, and no precise model is currently available for describing the complex structures generated by lines in the space-time volume of events. We solve this problem by deriving the correct non-linear parametrization of such manifolds, which we term eventails, and demonstrate its application to event-based linear motion estimation, with known rotation from an Inertial Measurement Unit. Using this parametrization, we introduce a novel minimal 5-point solver that jointly estimates line parameters and linear camera velocity projections, which can be fused into a single, averaged linear velocity when considering multiple lines. We demonstrate on both synthetic and real data that our solver generates more stable relative motion estimates than other methods while capturing more inliers than clustering based on spatio-temporal planes. In particular, our method consistently achieves a 100% success rate in estimating linear velocity where existing closed-form solvers only achieve between 23% and 70%. The proposed eventails contribute to a better understanding of spatio-temporal event-generated geometries and we thus believe it will become a core building block of future event-based motion estimation algorithms.

Benchmarks that closely reflect downstream application scenarios are essential for the streamlined adoption of new research in tabular machine learning (ML). In this work, we examine existing tabular benchmarks and find two common characteristics of industry-grade tabular data that are underrepresented in the datasets available to the academic community. First, tabular data often changes over time in real-world deployment scenarios. This impacts model performance and requires time-based train and test splits for correct model evaluation. Yet, existing academic tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. For each specific dataset, this can have a different impact on the absolute and relative number of predictive, uninformative, and correlated features, which in turn can affect model selection. To fill the aforementioned gaps in academic benchmarks, we introduce TabReD -- a collection of eight industry-grade tabular datasets covering a wide range of domains from finance to food delivery services. We assess a large number of tabular ML models in the feature-rich, temporally-evolving data setting facilitated by TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits more common in academic benchmarks. Furthermore, on the TabReD datasets, MLP-like architectures and GBDT show the best results, while more sophisticated DL models are yet to prove their effectiveness.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

While the phenomenon of grokking, i.e., delayed generalization, has been studied extensively, it remains an open problem whether there is a mathematical framework that characterizes what kind of features will emerge, how and in which conditions it happens, and is closely related to the gradient dynamics of the training, for complex structured inputs. We propose a novel framework, named Li_2, that captures three key stages for the grokking behavior of 2-layer nonlinear networks: (I) \textbf{L}azy learning, (II) \textbf{i}ndependent feature learning and (III) \textbf{i}nteractive feature learning. At the lazy learning stage, top layer overfits to random hidden representation and the model appears to memorize. Thanks to lazy learning and weight decay, the backpropagated gradient G_F from the top layer now carries information about the target label, with a specific structure that enables each hidden node to learn their representation independently. Interestingly, the independent dynamics follows exactly the gradient ascent of an energy function E, and its local maxima are precisely the emerging features. We study whether these local-optima induced features are generalizable, their representation power, and how they change on sample size, in group arithmetic tasks. When hidden nodes start to interact in the later stage of learning, we provably show how G_F changes to focus on missing features that need to be learned. Our study sheds lights on roles played by key hyperparameters such as weight decay, learning rate and sample sizes in grokking, leads to provable scaling laws of feature emergence, memorization and generalization, and reveals the underlying cause why recent optimizers such as Muon can be effective, from the first principles of gradient dynamics. Our analysis can be extended to multi-layer architectures.

Complex, temporally evolving phenomena, from climate to brain activity, are governed by dynamical systems (DS). DS reconstruction (DSR) seeks to infer generative surrogate models of these from observed data, reproducing their long-term behavior. Existing DSR approaches require purpose-training for any new system observed, lacking the zero-shot and in-context inference capabilities known from LLMs. Here we introduce DynaMix, a novel multivariate ALRNN-based mixture-of-experts architecture pre-trained for DSR, the first DSR model able to generalize zero-shot to out-of-domain DS. Just from a provided context signal, without any re-training, DynaMix faithfully forecasts the long-term evolution of novel DS where existing time series (TS) foundation models, like Chronos, fail -- at a fraction of the number of parameters and orders of magnitude faster inference times. DynaMix outperforms TS foundation models in terms of long-term statistics, and often also short-term forecasts, even on real-world time series, like traffic or weather data, typically used for training and evaluating TS models, but not at all part of DynaMix' training corpus. We illustrate some of the failure modes of TS models for DSR problems, and conclude that models built on DS principles may bear a huge potential also for advancing the TS prediction field.

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.

Scene representations using 3D Gaussian primitives have produced excellent results in modeling the appearance of static and dynamic 3D scenes. Many graphics applications, however, demand the ability to manipulate both the appearance and the physical properties of objects. We introduce Feature Splatting, an approach that unifies physics-based dynamic scene synthesis with rich semantics from vision language foundation models that are grounded by natural language. Our first contribution is a way to distill high-quality, object-centric vision-language features into 3D Gaussians, that enables semi-automatic scene decomposition using text queries. Our second contribution is a way to synthesize physics-based dynamics from an otherwise static scene using a particle-based simulator, in which material properties are assigned automatically via text queries. We ablate key techniques used in this pipeline, to illustrate the challenge and opportunities in using feature-carrying 3D Gaussians as a unified format for appearance, geometry, material properties and semantics grounded on natural language. Project website: https://feature-splatting.github.io/

We present new JWST-NIRSpec IFS data for the luminous infrared galaxy NGC7469: a nearby (70.6Mpc) active galaxy with a Sy 1.5 nucleus that drives a highly ionized gas outflow and a prominent nuclear star-forming ring. Using the superb sensitivity and high spatial resolution of the JWST instrument NIRSpec-IFS, we investigate the role of the Seyfert nucleus in the excitation and dynamics of the circumnuclear gas. Our analysis focuses on the [Fe ii], H2, and hydrogen recombination lines that trace the radiation/shocked-excited molecular and ionized ISM around the AGN. We investigate the gas excitation through H2/Br{\gamma} and [Fe ii]/Paeta emission line ratios and find that photoionization by the AGN dominates within the central 300 pc of the galaxy and together with a small region show ing signatures of shock-heated gas; these shock-heated regions are likely associated with a compact radio jet. In addition, the velocity field and velocity dispersion maps reveal complex gas kinematics. Rotation is the dominant feature, but we also identify non-circular motions consistent with gas inflows as traced by the velocity residuals and the spiral pattern in the Pa{\alpha} velocity dispersion map. The inflow is consistent with the mass outflow rate and two orders of magnitude higher than the AGN accretion rate. The compact nuclear radio jet has enough power to drive the highly ionized outflow. This scenario suggests that the inflow and outflow are in a self-regulating feeding-feedback process, with a contribution from the radio jet helping to drive the outflow.

We investigate the performance of features that can capture nonlinear recurrence dynamics embedded in the speech signal for the task of Speech Emotion Recognition (SER). Reconstruction of the phase space of each speech frame and the computation of its respective Recurrence Plot (RP) reveals complex structures which can be measured by performing Recurrence Quantification Analysis (RQA). These measures are aggregated by using statistical functionals over segment and utterance periods. We report SER results for the proposed feature set on three databases using different classification methods. When fusing the proposed features with traditional feature sets, we show an improvement in unweighted accuracy of up to 5.7% and 10.7% on Speaker-Dependent (SD) and Speaker-Independent (SI) SER tasks, respectively, over the baseline. Following a segment-based approach we demonstrate state-of-the-art performance on IEMOCAP using a Bidirectional Recurrent Neural Network.

Video Highlight Detection and Moment Retrieval (HD/MR) are essential in video analysis. Recent joint prediction transformer models often overlook their cross-task dynamics and video-text alignment and refinement. Moreover, most models typically use limited, uni-directional attention mechanisms, resulting in weakly integrated representations and suboptimal performance in capturing the interdependence between video and text modalities. Although large-language and vision-language models (LLM/LVLMs) have gained prominence across various domains, their application in this field remains relatively underexplored. Here we propose VideoLights, a novel HD/MR framework addressing these limitations through (i) Convolutional Projection and Feature Refinement modules with an alignment loss for better video-text feature alignment, (ii) Bi-Directional Cross-Modal Fusion network for strongly coupled query-aware clip representations, and (iii) Uni-directional joint-task feedback mechanism enhancing both tasks through correlation. In addition, (iv) we introduce hard positive/negative losses for adaptive error penalization and improved learning, and (v) leverage LVLMs like BLIP-2 for enhanced multimodal feature integration and intelligent pretraining using synthetic data generated from LVLMs. Comprehensive experiments on QVHighlights, TVSum, and Charades-STA benchmarks demonstrate state-of-the-art performance. Codes and models are available at https://github.com/dpaul06/VideoLights .

In this paper, we consider how the development of targeted ransomware has affected the dynamics of ransomware negotiations to better understand how to respond to ransomware attacks. We construct a model of ransomware negotiations as an asymmetric non-cooperative two-player game. In particular, our model considers the investments that a malicious actor must make in order to conduct a successful targeted ransomware attack. We demonstrate how imperfect information is a crucial feature for replicating observed real-world behaviour. Furthermore, we present optimal strategies for both the malicious actor and the target, and demonstrate how imperfect information results in a non-trivial optimal strategy for the malicious actor.

In this paper, we focus on a typical two-phase phenomenon in the learning of multi-layer perceptrons (MLPs), and we aim to explain the reason for the decrease of feature diversity in the first phase. Specifically, people find that, in the training of MLPs, the training loss does not decrease significantly until the second phase. To this end, we further explore the reason why the diversity of features over different samples keeps decreasing in the first phase, which hurts the optimization of MLPs. We explain such a phenomenon in terms of the learning dynamics of MLPs. Furthermore, we theoretically explain why four typical operations can alleviate the decrease of the feature diversity.

As its width tends to infinity, a deep neural network's behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.

Learning dexterous manipulation skills presents significant challenges due to complex nonlinear dynamics that underlie the interactions between objects and multi-fingered hands. Koopman operators have emerged as a robust method for modeling such nonlinear dynamics within a linear framework. However, current methods rely on runtime access to ground-truth (GT) object states, making them unsuitable for vision-based practical applications. Unlike image-to-action policies that implicitly learn visual features for control, we use a dynamics model, specifically the Koopman operator, to learn visually interpretable object features critical for robotic manipulation within a scene. We construct a Koopman operator using object features predicted by a feature extractor and utilize it to auto-regressively advance system states. We train the feature extractor to embed scene information into object features, thereby enabling the accurate propagation of robot trajectories. We evaluate our approach on simulated and real-world robot tasks, with results showing that it outperformed the model-based imitation learning NDP by 1.08times and the image-to-action Diffusion Policy by 1.16times. The results suggest that our method maintains task success rates with learned features and extends applicability to real-world manipulation without GT object states.

Learning dynamics, which describes how the learning of specific training examples influences the model's predictions on other examples, gives us a powerful tool for understanding the behavior of deep learning systems. We study the learning dynamics of large language models during different types of finetuning, by analyzing the step-wise decomposition of how influence accumulates among different potential responses. Our framework allows a uniform interpretation of many interesting observations about the training of popular algorithms for both instruction tuning and preference tuning. In particular, we propose a hypothetical explanation of why specific types of hallucination are strengthened after finetuning, e.g., the model might use phrases or facts in the response for question B to answer question A, or the model might keep repeating similar simple phrases when generating responses. We also extend our framework and highlight a unique "squeezing effect" to explain a previously observed phenomenon in off-policy direct preference optimization (DPO), where running DPO for too long makes even the desired outputs less likely. This framework also provides insights into where the benefits of on-policy DPO and other variants come from. The analysis not only provides a novel perspective of understanding LLM's finetuning but also inspires a simple, effective method to improve alignment performance.

Unsupervised video Object-Centric Learning (OCL) is promising as it enables object-level scene representation and dynamics modeling as we humans do. Mainstream video OCL methods adopt a recurrent architecture: An aggregator aggregates current video frame into object features, termed slots, under some queries; A transitioner transits current slots to queries for the next frame. This is an effective architecture but all existing implementations both (i1) neglect to incorporate next frame features, the most informative source for query prediction, and (i2) fail to learn transition dynamics, the knowledge essential for query prediction. To address these issues, we propose Random Slot-Feature pair for learning Query prediction (RandSF.Q): (t1) We design a new transitioner to incorporate both slots and features, which provides more information for query prediction; (t2) We train the transitioner to predict queries from slot-feature pairs randomly sampled from available recurrences, which drives it to learn transition dynamics. Experiments on scene representation demonstrate that our method surpass existing video OCL methods significantly, e.g., up to 10 points on object discovery, setting new state-of-the-art. Such superiority also benefits downstream tasks like dynamics modeling. Our core source code and training logs are available as the supplement.

Taking inspiration from physical motion, we present a new self-supervised dynamics learning strategy for videos: Video Time-Differentiation for Instance Discrimination (ViDiDi). ViDiDi is a simple and data-efficient strategy, readily applicable to existing self-supervised video representation learning frameworks based on instance discrimination. At its core, ViDiDi observes different aspects of a video through various orders of temporal derivatives of its frame sequence. These derivatives, along with the original frames, support the Taylor series expansion of the underlying continuous dynamics at discrete times, where higher-order derivatives emphasize higher-order motion features. ViDiDi learns a single neural network that encodes a video and its temporal derivatives into consistent embeddings following a balanced alternating learning algorithm. By learning consistent representations for original frames and derivatives, the encoder is steered to emphasize motion features over static backgrounds and uncover the hidden dynamics in original frames. Hence, video representations are better separated by dynamic features. We integrate ViDiDi into existing instance discrimination frameworks (VICReg, BYOL, and SimCLR) for pretraining on UCF101 or Kinetics and test on standard benchmarks including video retrieval, action recognition, and action detection. The performances are enhanced by a significant margin without the need for large models or extensive datasets.

Remote sensing change detection is crucial for understanding the dynamics of our planet's surface, facilitating the monitoring of environmental changes, evaluating human impact, predicting future trends, and supporting decision-making. In this work, we introduce a novel approach for change detection that can leverage off-the-shelf, unlabeled remote sensing images in the training process by pre-training a Denoising Diffusion Probabilistic Model (DDPM) - a class of generative models used in image synthesis. DDPMs learn the training data distribution by gradually converting training images into a Gaussian distribution using a Markov chain. During inference (i.e., sampling), they can generate a diverse set of samples closer to the training distribution, starting from Gaussian noise, achieving state-of-the-art image synthesis results. However, in this work, our focus is not on image synthesis but on utilizing it as a pre-trained feature extractor for the downstream application of change detection. Specifically, we fine-tune a lightweight change classifier utilizing the feature representations produced by the pre-trained DDPM alongside change labels. Experiments conducted on the LEVIR-CD, WHU-CD, DSIFN-CD, and CDD datasets demonstrate that the proposed DDPM-CD method significantly outperforms the existing state-of-the-art change detection methods in terms of F1 score, IoU, and overall accuracy, highlighting the pivotal role of pre-trained DDPM as a feature extractor for downstream applications. We have made both the code and pre-trained models available at https://github.com/wgcban/ddpm-cd

3D Gaussian Splatting (3DGS) has gained significant attention for its real-time, photo-realistic rendering in novel-view synthesis and 3D modeling. However, existing methods struggle with accurately modeling scenes affected by transient objects, leading to artifacts in the rendered images. We identify that the Gaussian densification process, while enhancing scene detail capture, unintentionally contributes to these artifacts by growing additional Gaussians that model transient disturbances. To address this, we propose RobustSplat, a robust solution based on two critical designs. First, we introduce a delayed Gaussian growth strategy that prioritizes optimizing static scene structure before allowing Gaussian splitting/cloning, mitigating overfitting to transient objects in early optimization. Second, we design a scale-cascaded mask bootstrapping approach that first leverages lower-resolution feature similarity supervision for reliable initial transient mask estimation, taking advantage of its stronger semantic consistency and robustness to noise, and then progresses to high-resolution supervision to achieve more precise mask prediction. Extensive experiments on multiple challenging datasets show that our method outperforms existing methods, clearly demonstrating the robustness and effectiveness of our method. Our project page is https://fcyycf.github.io/RobustSplat/.

Face anti-spoofing (FAS) is indispensable for a face recognition system. Many texture-driven countermeasures were developed against presentation attacks (PAs), but the performance against unseen domains or unseen spoofing types is still unsatisfactory. Instead of exhaustively collecting all the spoofing variations and making binary decisions of live/spoof, we offer a new perspective on the FAS task to distinguish between normal and abnormal movements of live and spoof presentations. We propose Geometry-Aware Interaction Network (GAIN), which exploits dense facial landmarks with spatio-temporal graph convolutional network (ST-GCN) to establish a more interpretable and modularized FAS model. Additionally, with our cross-attention feature interaction mechanism, GAIN can be easily integrated with other existing methods to significantly boost performance. Our approach achieves state-of-the-art performance in the standard intra- and cross-dataset evaluations. Moreover, our model outperforms state-of-the-art methods by a large margin in the cross-dataset cross-type protocol on CASIA-SURF 3DMask (+10.26% higher AUC score), exhibiting strong robustness against domain shifts and unseen spoofing types.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

Recent two-stream deep Convolutional Neural Networks (ConvNets) have made significant progress in recognizing human actions in videos. Despite their success, methods extending the basic two-stream ConvNet have not systematically explored possible network architectures to further exploit spatiotemporal dynamics within video sequences. Further, such networks often use different baseline two-stream networks. Therefore, the differences and the distinguishing factors between various methods using Recurrent Neural Networks (RNN) or convolutional networks on temporally-constructed feature vectors (Temporal-ConvNet) are unclear. In this work, we first demonstrate a strong baseline two-stream ConvNet using ResNet-101. We use this baseline to thoroughly examine the use of both RNNs and Temporal-ConvNets for extracting spatiotemporal information. Building upon our experimental results, we then propose and investigate two different networks to further integrate spatiotemporal information: 1) temporal segment RNN and 2) Inception-style Temporal-ConvNet. We demonstrate that using both RNNs (using LSTMs) and Temporal-ConvNets on spatiotemporal feature matrices are able to exploit spatiotemporal dynamics to improve the overall performance. However, each of these methods require proper care to achieve state-of-the-art performance; for example, LSTMs require pre-segmented data or else they cannot fully exploit temporal information. Our analysis identifies specific limitations for each method that could form the basis of future work. Our experimental results on UCF101 and HMDB51 datasets achieve state-of-the-art performances, 94.1% and 69.0%, respectively, without requiring extensive temporal augmentation.

Future link prediction is a fundamental challenge in various real-world dynamic systems. To address this, numerous temporal graph neural networks (temporal GNNs) and benchmark datasets have been developed. However, these datasets often feature excessive repeated edges and lack complex sequential dynamics, a key characteristic inherent in many real-world applications such as recommender systems and ``Who-To-Follow'' on social networks. This oversight has led existing methods to inadvertently downplay the importance of learning sequential dynamics, focusing primarily on predicting repeated edges. In this study, we demonstrate that existing methods, such as GraphMixer and DyGFormer, are inherently incapable of learning simple sequential dynamics, such as ``a user who has followed OpenAI and Anthropic is more likely to follow AI at Meta next.'' Motivated by this issue, we introduce the Temporal Graph Benchmark with Sequential Dynamics (TGB-Seq), a new benchmark carefully curated to minimize repeated edges, challenging models to learn sequential dynamics and generalize to unseen edges. TGB-Seq comprises large real-world datasets spanning diverse domains, including e-commerce interactions, movie ratings, business reviews, social networks, citation networks and web link networks. Benchmarking experiments reveal that current methods usually suffer significant performance degradation and incur substantial training costs on TGB-Seq, posing new challenges and opportunities for future research. TGB-Seq datasets, leaderboards, and example codes are available at https://tgb-seq.github.io/.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

This paper describes a method for learning low-dimensional approximations of nonlinear dynamical systems, based on neural-network approximations of the underlying Koopman operator. Extended Dynamic Mode Decomposition (EDMD) provides a useful data-driven approximation of the Koopman operator for analyzing dynamical systems. This paper addresses a fundamental problem associated with EDMD: a trade-off between representational capacity of the dictionary and over-fitting due to insufficient data. A new neural network architecture combining an autoencoder with linear recurrent dynamics in the encoded state is used to learn a low-dimensional and highly informative Koopman-invariant subspace of observables. A method is also presented for balanced model reduction of over-specified EDMD systems in feature space. Nonlinear reconstruction using partially linear multi-kernel regression aims to improve reconstruction accuracy from the low-dimensional state when the data has complex but intrinsically low-dimensional structure. The techniques demonstrate the ability to identify Koopman eigenfunctions of the unforced Duffing equation, create accurate low-dimensional models of an unstable cylinder wake flow, and make short-time predictions of the chaotic Kuramoto-Sivashinsky equation.

Language models obtain extensive capabilities through pre-training. However, the pre-training process remains a black box. In this work, we track linear interpretable feature evolution across pre-training snapshots using a sparse dictionary learning method called crosscoders. We find that most features begin to form around a specific point, while more complex patterns emerge in later training stages. Feature attribution analyses reveal causal connections between feature evolution and downstream performance. Our feature-level observations are highly consistent with previous findings on Transformer's two-stage learning process, which we term a statistical learning phase and a feature learning phase. Our work opens up the possibility to track fine-grained representation progress during language model learning dynamics.

We propose that the grokking phenomenon, where the train loss of a neural network decreases much earlier than its test loss, can arise due to a neural network transitioning from lazy training dynamics to a rich, feature learning regime. To illustrate this mechanism, we study the simple setting of vanilla gradient descent on a polynomial regression problem with a two layer neural network which exhibits grokking without regularization in a way that cannot be explained by existing theories. We identify sufficient statistics for the test loss of such a network, and tracking these over training reveals that grokking arises in this setting when the network first attempts to fit a kernel regression solution with its initial features, followed by late-time feature learning where a generalizing solution is identified after train loss is already low. We provide an asymptotic theoretical description of the grokking dynamics in this model using dynamical mean field theory (DMFT) for high dimensional data. We find that the key determinants of grokking are the rate of feature learning -- which can be controlled precisely by parameters that scale the network output -- and the alignment of the initial features with the target function y(x). We argue this delayed generalization arises when (1) the top eigenvectors of the initial neural tangent kernel and the task labels y(x) are misaligned, but (2) the dataset size is large enough so that it is possible for the network to generalize eventually, but not so large that train loss perfectly tracks test loss at all epochs, and (3) the network begins training in the lazy regime so does not learn features immediately. We conclude with evidence that this transition from lazy (linear model) to rich training (feature learning) can control grokking in more general settings, like on MNIST, one-layer Transformers, and student-teacher networks.

Hyperparameter tuning is one of the essential steps to guarantee the convergence of machine learning models. We argue that intuition about the optimal choice of hyperparameters for stochastic gradient descent can be obtained by studying a neural network's phase diagram, in which each phase is characterised by distinctive dynamics of the singular values of weight matrices. Taking inspiration from disordered systems, we start from the observation that the loss landscape of a multilayer neural network with mean squared error can be interpreted as a disordered system in feature space, where the learnt features are mapped to soft spin degrees of freedom, the initial variance of the weight matrices is interpreted as the strength of the disorder, and temperature is given by the ratio of the learning rate and the batch size. As the model is trained, three phases can be identified, in which the dynamics of weight matrices is qualitatively different. Employing a Langevin equation for stochastic gradient descent, previously derived using Dyson Brownian motion, we demonstrate that the three dynamical regimes can be classified effectively, providing practical guidance for the choice of hyperparameters of the optimiser.

We consider using deep neural networks to solve time-dependent partial differential equations (PDEs), where multi-scale processing is crucial for modeling complex, time-evolving dynamics. While the U-Net architecture with skip connections is commonly used by prior studies to enable multi-scale processing, our analysis shows that the need for features to evolve across layers results in temporally misaligned features in skip connections, which limits the model's performance. To address this limitation, we propose SineNet, consisting of multiple sequentially connected U-shaped network blocks, referred to as waves. In SineNet, high-resolution features are evolved progressively through multiple stages, thereby reducing the amount of misalignment within each stage. We furthermore analyze the role of skip connections in enabling both parallel and sequential processing of multi-scale information. Our method is rigorously tested on multiple PDE datasets, including the Navier-Stokes equations and shallow water equations, showcasing the advantages of our proposed approach over conventional U-Nets with a comparable parameter budget. We further demonstrate that increasing the number of waves in SineNet while maintaining the same number of parameters leads to a monotonically improved performance. The results highlight the effectiveness of SineNet and the potential of our approach in advancing the state-of-the-art in neural PDE solver design. Our code is available as part of AIRS (https://github.com/divelab/AIRS).

Convolutional recurrent networks (CRN) integrating a convolutional encoder-decoder (CED) structure and a recurrent structure have achieved promising performance for monaural speech enhancement. However, feature representation across frequency context is highly constrained due to limited receptive fields in the convolutions of CED. In this paper, we propose a convolutional recurrent encoder-decoder (CRED) structure to boost feature representation along the frequency axis. The CRED applies frequency recurrence on 3D convolutional feature maps along the frequency axis following each convolution, therefore, it is capable of catching long-range frequency correlations and enhancing feature representations of speech inputs. The proposed frequency recurrence is realized efficiently using a feedforward sequential memory network (FSMN). Besides the CRED, we insert two stacked FSMN layers between the encoder and the decoder to model further temporal dynamics. We name the proposed framework as Frequency Recurrent CRN (FRCRN). We design FRCRN to predict complex Ideal Ratio Mask (cIRM) in complex-valued domain and optimize FRCRN using both time-frequency-domain and time-domain losses. Our proposed approach achieved state-of-the-art performance on wideband benchmark datasets and achieved 2nd place for the real-time fullband track in terms of Mean Opinion Score (MOS) and Word Accuracy (WAcc) in the ICASSP 2022 Deep Noise Suppression (DNS) challenge (https://github.com/alibabasglab/FRCRN).

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

In the early 2000s, renowned chef Heston Blumenthal formulated his "food pairing" hypothesis, positing that if foods share many flavor compounds, then they tend to taste good when eaten together. In 2011, Ahn et al. conducted a study using a dataset of recipes, ingredients, and flavor compounds, finding that, in Western cuisine, ingredients in recipes often share more flavor compounds than expected by chance, indicating a natural tendency towards food pairing. Building upon Ahn's research, our work applies state-of-the-art collaborative filtering techniques to the dataset, providing a tool that can recommend new foods to add in recipes, retrieve missing ingredients and advise against certain combinations. We create our recommender in two ways, by taking into account ingredients appearances in recipes or shared flavor compounds between foods. While our analysis confirms the existence of food pairing, the recipe-based recommender performs significantly better than the flavor-based one, leading to the conclusion that food pairing is just one of the principles to take into account when creating recipes. Furthermore, and more interestingly, we find that food pairing in data is mostly due to trivial couplings of very similar ingredients, leading to a reconsideration of its current role in recipes, from being an already existing feature to a key to open up new scenarios in gastronomy. Our flavor-based recommender can thus leverage this novel concept and provide a new tool to lead culinary innovation.

Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.

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.

Feature selection helps reduce data acquisition costs in ML, but the standard approach is to train models with static feature subsets. Here, we consider the dynamic feature selection (DFS) problem where a model sequentially queries features based on the presently available information. DFS is often addressed with reinforcement learning, but we explore a simpler approach of greedily selecting features based on their conditional mutual information. This method is theoretically appealing but requires oracle access to the data distribution, so we develop a learning approach based on amortized optimization. The proposed method is shown to recover the greedy policy when trained to optimality, and it outperforms numerous existing feature selection methods in our experiments, thus validating it as a simple but powerful approach for this problem.

Koopman representations aim to learn features of nonlinear dynamical systems (NLDS) which lead to linear dynamics in the latent space. Theoretically, such features can be used to simplify many problems in modeling and control of NLDS. In this work we study autoencoder formulations of this problem, and different ways they can be used to model dynamics, specifically for future state prediction over long horizons. We discover several limitations of predicting future states in the latent space and propose an inference-time mechanism, which we refer to as Periodic Reencoding, for faithfully capturing long term dynamics. We justify this method both analytically and empirically via experiments in low and high dimensional NLDS.

State space models (SSMs) have shown remarkable empirical performance on many long sequence modeling tasks, but a theoretical understanding of these models is still lacking. In this work, we study the learning dynamics of linear SSMs to understand how covariance structure in data, latent state size, and initialization affect the evolution of parameters throughout learning with gradient descent. We show that focusing on the learning dynamics in the frequency domain affords analytical solutions under mild assumptions, and we establish a link between one-dimensional SSMs and the dynamics of deep linear feed-forward networks. Finally, we analyze how latent state over-parameterization affects convergence time and describe future work in extending our results to the study of deep SSMs with nonlinear connections. This work is a step toward a theory of learning dynamics in deep state space models.

Real-world time series are often governed by complex nonlinear dynamics. Understanding these underlying dynamics is crucial for precise future prediction. While deep learning has achieved major success in time series forecasting, many existing approaches do not explicitly model the dynamics. To bridge this gap, we introduce DeepEDM, a framework that integrates nonlinear dynamical systems modeling with deep neural networks. Inspired by empirical dynamic modeling (EDM) and rooted in Takens' theorem, DeepEDM presents a novel deep model that learns a latent space from time-delayed embeddings, and employs kernel regression to approximate the underlying dynamics, while leveraging efficient implementation of softmax attention and allowing for accurate prediction of future time steps. To evaluate our method, we conduct comprehensive experiments on synthetic data of nonlinear dynamical systems as well as real-world time series across domains. Our results show that DeepEDM is robust to input noise, and outperforms state-of-the-art methods in forecasting accuracy. Our code is available at: https://abrarmajeedi.github.io/deep_edm.

Generalizing policies across different domains with dynamics mismatch poses a significant challenge in reinforcement learning. For example, a robot learns the policy in a simulator, but when it is deployed in the real world, the dynamics of the environment may be different. Given the source and target domain with dynamics mismatch, we consider the online dynamics adaptation problem, in which case the agent can access sufficient source domain data while online interactions with the target domain are limited. Existing research has attempted to solve the problem from the dynamics discrepancy perspective. In this work, we reveal the limitations of these methods and explore the problem from the value difference perspective via a novel insight on the value consistency across domains. Specifically, we present the Value-Guided Data Filtering (VGDF) algorithm, which selectively shares transitions from the source domain based on the proximity of paired value targets across the two domains. Empirical results on various environments with kinematic and morphology shifts demonstrate that our method achieves superior performance compared to prior approaches.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

Predicting the behavior of complex systems is critical in many scientific and engineering domains, and hinges on the model's ability to capture their underlying dynamics. Existing methods encode the intrinsic dynamics of high-dimensional observations through latent representations and predict autoregressively. However, these latent representations lose the inherent spatial structure of spatiotemporal dynamics, leading to the predictor's inability to effectively model spatial interactions and neglect emerging dynamics during long-term prediction. In this work, we propose SparseDiff, introducing a test-time adaptation strategy to dynamically update the encoding scheme to accommodate emergent spatiotemporal structures during the long-term evolution of the system. Specifically, we first design a codebook-based sparse encoder, which coarsens the continuous spatial domain into a sparse graph topology. Then, we employ a graph neural ordinary differential equation to model the dynamics and guide a diffusion decoder for reconstruction. SparseDiff autoregressively predicts the spatiotemporal evolution and adjust the sparse topological structure to adapt to emergent spatiotemporal patterns by adaptive re-encoding. Extensive evaluations on representative systems demonstrate that SparseDiff achieves an average prediction error reduction of 49.99\% compared to baselines, requiring only 1\% of the spatial resolution.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

Sequential dynamics are a key feature of many modern recommender systems, which seek to capture the `context' of users' activities on the basis of actions they have performed recently. To capture such patterns, two approaches have proliferated: Markov Chains (MCs) and Recurrent Neural Networks (RNNs). Markov Chains assume that a user's next action can be predicted on the basis of just their last (or last few) actions, while RNNs in principle allow for longer-term semantics to be uncovered. Generally speaking, MC-based methods perform best in extremely sparse datasets, where model parsimony is critical, while RNNs perform better in denser datasets where higher model complexity is affordable. The goal of our work is to balance these two goals, by proposing a self-attention based sequential model (SASRec) that allows us to capture long-term semantics (like an RNN), but, using an attention mechanism, makes its predictions based on relatively few actions (like an MC). At each time step, SASRec seeks to identify which items are `relevant' from a user's action history, and use them to predict the next item. Extensive empirical studies show that our method outperforms various state-of-the-art sequential models (including MC/CNN/RNN-based approaches) on both sparse and dense datasets. Moreover, the model is an order of magnitude more efficient than comparable CNN/RNN-based models. Visualizations on attention weights also show how our model adaptively handles datasets with various density, and uncovers meaningful patterns in activity sequences.

Dynamics models learned from visual observations have shown to be effective in various robotic manipulation tasks. One of the key questions for learning such dynamics models is what scene representation to use. Prior works typically assume representation at a fixed dimension or resolution, which may be inefficient for simple tasks and ineffective for more complicated tasks. In this work, we investigate how to learn dynamic and adaptive representations at different levels of abstraction to achieve the optimal trade-off between efficiency and effectiveness. Specifically, we construct dynamic-resolution particle representations of the environment and learn a unified dynamics model using graph neural networks (GNNs) that allows continuous selection of the abstraction level. During test time, the agent can adaptively determine the optimal resolution at each model-predictive control (MPC) step. We evaluate our method in object pile manipulation, a task we commonly encounter in cooking, agriculture, manufacturing, and pharmaceutical applications. Through comprehensive evaluations both in the simulation and the real world, we show that our method achieves significantly better performance than state-of-the-art fixed-resolution baselines at the gathering, sorting, and redistribution of granular object piles made with various instances like coffee beans, almonds, corn, etc.

To what extent do vision-and-language foundation models possess a realistic world model (observation times action rightarrow observation) and a dynamics model (observation times observation rightarrow action), when actions are expressed through language? While open-source foundation models struggle with both, we find that fine-tuning them to acquire a dynamics model through supervision is significantly easier than acquiring a world model. In turn, dynamics models can be used to bootstrap world models through two main strategies: 1) weakly supervised learning from synthetic data and 2) inference time verification. Firstly, the dynamics model can annotate actions for unlabelled pairs of video frame observations to expand the training data. We further propose a new objective, where image tokens in observation pairs are weighted by their importance, as predicted by a recognition model. Secondly, the dynamics models can assign rewards to multiple samples of the world model to score them, effectively guiding search at inference time. We evaluate the world models resulting from both strategies through the task of action-centric image editing on Aurora-Bench. Our best model achieves a performance competitive with state-of-the-art image editing models, improving on them by a margin of 15% on real-world subsets according to GPT4o-as-judge, and achieving the best average human evaluation across all subsets of Aurora-Bench.

Reinforcement learning is able to solve complex sequential decision-making tasks but is currently limited by sample efficiency and required computation. To improve sample efficiency, recent work focuses on model-based RL which interleaves model learning with planning. Recent methods further utilize policy learning, value estimation, and, self-supervised learning as auxiliary objectives. In this paper we show that, surprisingly, a simple representation learning approach relying only on a latent dynamics model trained by latent temporal consistency is sufficient for high-performance RL. This applies when using pure planning with a dynamics model conditioned on the representation, but, also when utilizing the representation as policy and value function features in model-free RL. In experiments, our approach learns an accurate dynamics model to solve challenging high-dimensional locomotion tasks with online planners while being 4.1 times faster to train compared to ensemble-based methods. With model-free RL without planning, especially on high-dimensional tasks, such as the DeepMind Control Suite Humanoid and Dog tasks, our approach outperforms model-free methods by a large margin and matches model-based methods' sample efficiency while training 2.4 times faster.

Neural networks achieve remarkable performance through superposition: encoding multiple features as overlapping directions in activation space rather than dedicating individual neurons to each feature. This challenges interpretability, yet we lack principled methods to measure superposition. We present an information-theoretic framework measuring a neural representation's effective degrees of freedom. We apply Shannon entropy to sparse autoencoder activations to compute the number of effective features as the minimum neurons needed for interference-free encoding. Equivalently, this measures how many "virtual neurons" the network simulates through superposition. When networks encode more effective features than actual neurons, they must accept interference as the price of compression. Our metric strongly correlates with ground truth in toy models, detects minimal superposition in algorithmic tasks, and reveals systematic reduction under dropout. Layer-wise patterns mirror intrinsic dimensionality studies on Pythia-70M. The metric also captures developmental dynamics, detecting sharp feature consolidation during grokking. Surprisingly, adversarial training can increase effective features while improving robustness, contradicting the hypothesis that superposition causes vulnerability. Instead, the effect depends on task complexity and network capacity: simple tasks with ample capacity allow feature expansion (abundance regime), while complex tasks or limited capacity force reduction (scarcity regime). By defining superposition as lossy compression, this work enables principled measurement of how neural networks organize information under computational constraints, connecting superposition to adversarial robustness.

California is a global leader in agricultural production, contributing 12.5% of the United States total output and ranking as the fifth-largest food and cotton supplier in the world. Despite the availability of extensive historical yield data from the USDA National Agricultural Statistics Service, accurate and timely crop yield forecasting remains a challenge due to the complex interplay of environmental, climatic, and soil-related factors. In this study, we introduce a comprehensive crop yield benchmark dataset covering over 70 crops across all California counties from 2008 to 2022. The benchmark integrates diverse data sources, including Landsat satellite imagery, daily climate records, monthly evapotranspiration, and high-resolution soil properties. To effectively learn from these heterogeneous inputs, we develop a multi-modal deep learning model tailored for county-level, crop-specific yield forecasting. The model employs stratified feature extraction and a timeseries encoder to capture spatial and temporal dynamics during the growing season. Static inputs such as soil characteristics and crop identity inform long-term variability. Our approach achieves an overall R2 score of 0.76 across all crops of unseen test dataset, highlighting strong predictive performance across California diverse agricultural regions. This benchmark and modeling framework offer a valuable foundation for advancing agricultural forecasting, climate adaptation, and precision farming. The full dataset and codebase are publicly available at our GitHub repository.

The fields of Origin of Life and Artificial Life both question what life is and how it emerges from a distinct set of "pre-life" dynamics. One common feature of most substrates where life emerges is a marked shift in dynamics when self-replication appears. While there are some hypotheses regarding how self-replicators arose in nature, we know very little about the general dynamics, computational principles, and necessary conditions for self-replicators to emerge. This is especially true on "computational substrates" where interactions involve logical, mathematical, or programming rules. In this paper we take a step towards understanding how self-replicators arise by studying several computational substrates based on various simple programming languages and machine instruction sets. We show that when random, non self-replicating programs are placed in an environment lacking any explicit fitness landscape, self-replicators tend to arise. We demonstrate how this occurs due to random interactions and self-modification, and can happen with and without background random mutations. We also show how increasingly complex dynamics continue to emerge following the rise of self-replicators. Finally, we show a counterexample of a minimalistic programming language where self-replicators are possible, but so far have not been observed to arise.

As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce Correlation Mode Decomposition (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.

A generalist robot should perform effectively across various environments. However, most existing approaches heavily rely on scaling action-annotated data to enhance their capabilities. Consequently, they are often limited to single physical specification and struggle to learn transferable knowledge across different embodiments and environments. To confront these limitations, we propose UniVLA, a new framework for learning cross-embodiment vision-language-action (VLA) policies. Our key innovation is to derive task-centric action representations from videos with a latent action model. This enables us to exploit extensive data across a wide spectrum of embodiments and perspectives. To mitigate the effect of task-irrelevant dynamics, we incorporate language instructions and establish a latent action model within the DINO feature space. Learned from internet-scale videos, the generalist policy can be deployed to various robots through efficient latent action decoding. We obtain state-of-the-art results across multiple manipulation and navigation benchmarks, as well as real-robot deployments. UniVLA achieves superior performance over OpenVLA with less than 1/20 of pretraining compute and 1/10 of downstream data. Continuous performance improvements are observed as heterogeneous data, even including human videos, are incorporated into the training pipeline. The results underscore UniVLA's potential to facilitate scalable and efficient robot policy learning.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including 98.6% ROC-AUC on the CIFAR-10 dataset.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

We present Premier-TACO, a multitask feature representation learning approach designed to improve few-shot policy learning efficiency in sequential decision-making tasks. Premier-TACO leverages a subset of multitask offline datasets for pretraining a general feature representation, which captures critical environmental dynamics and is fine-tuned using minimal expert demonstrations. It advances the temporal action contrastive learning (TACO) objective, known for state-of-the-art results in visual control tasks, by incorporating a novel negative example sampling strategy. This strategy is crucial in significantly boosting TACO's computational efficiency, making large-scale multitask offline pretraining feasible. Our extensive empirical evaluation in a diverse set of continuous control benchmarks including Deepmind Control Suite, MetaWorld, and LIBERO demonstrate Premier-TACO's effectiveness in pretraining visual representations, significantly enhancing few-shot imitation learning of novel tasks. Our code, pretraining data, as well as pretrained model checkpoints will be released at https://github.com/PremierTACO/premier-taco.

Time-lapse fluorescent microscopy (TLFM) combined with predictive mathematical modelling is a powerful tool to study the inherently dynamic processes of life on the single-cell level. Such experiments are costly, complex and labour intensive. A complimentary approach and a step towards in silico experimentation, is to synthesise the imagery itself. Here, we propose Multi-StyleGAN as a descriptive approach to simulate time-lapse fluorescence microscopy imagery of living cells, based on a past experiment. This novel generative adversarial network synthesises a multi-domain sequence of consecutive timesteps. We showcase Multi-StyleGAN on imagery of multiple live yeast cells in microstructured environments and train on a dataset recorded in our laboratory. The simulation captures underlying biophysical factors and time dependencies, such as cell morphology, growth, physical interactions, as well as the intensity of a fluorescent reporter protein. An immediate application is to generate additional training and validation data for feature extraction algorithms or to aid and expedite development of advanced experimental techniques such as online monitoring or control of cells. Code and dataset is available at https://git.rwth-aachen.de/bcs/projects/tp/multi-stylegan.

This paper introduces DeepUnifiedMom, a deep learning framework that enhances portfolio management through a multi-task learning approach and a multi-gate mixture of experts. The essence of DeepUnifiedMom lies in its ability to create unified momentum portfolios that incorporate the dynamics of time series momentum across a spectrum of time frames, a feature often missing in traditional momentum strategies. Our comprehensive backtesting, encompassing diverse asset classes such as equity indexes, fixed income, foreign exchange, and commodities, demonstrates that DeepUnifiedMom consistently outperforms benchmark models, even after factoring in transaction costs. This superior performance underscores DeepUnifiedMom's capability to capture the full spectrum of momentum opportunities within financial markets. The findings highlight DeepUnifiedMom as an effective tool for practitioners looking to exploit the entire range of momentum opportunities. It offers a compelling solution for improving risk-adjusted returns and is a valuable strategy for navigating the complexities of portfolio management.

Spectrograms are pivotal in time-frequency signal analysis, widely used in audio processing and computational neuroscience. Chirp-like patterns in electroencephalogram (EEG) spectrograms (marked by linear or exponential frequency sweep) are key biomarkers for seizure dynamics, but automated tools for their detection, localization, and feature extraction are lacking. This study bridges this gap by fine-tuning a Vision Transformer (ViT) model on synthetic spectrograms, augmented with Low-Rank Adaptation (LoRA) to boost adaptability. We generated 100000 synthetic spectrograms with chirp parameters, creating the first large-scale benchmark for chirp localization. These spectrograms mimic neural chirps using linear or exponential frequency sweep, Gaussian noise, and smoothing. A ViT model, adapted for regression, predicted chirp parameters. LoRA fine-tuned the attention layers, enabling efficient updates to the pre-trained backbone. Training used MSE loss and the AdamW optimizer, with a learning rate scheduler and early stopping to curb overfitting. Only three features were targeted: Chirp Start Time (Onset Time), Chirp Start Frequency (Onset Frequency), and Chirp End Frequency (Offset Frequency). Performance was evaluated via Pearson correlation between predicted and actual labels. Results showed strong alignment: 0.9841 correlation for chirp start time, with stable inference times (137 to 140s) and minimal bias in error distributions. This approach offers a tool for chirp analysis in EEG time-frequency representation, filling a critical methodological void.

In many real-world scenarios, rewards extrinsic to the agent are extremely sparse, or absent altogether. In such cases, curiosity can serve as an intrinsic reward signal to enable the agent to explore its environment and learn skills that might be useful later in its life. We formulate curiosity as the error in an agent's ability to predict the consequence of its own actions in a visual feature space learned by a self-supervised inverse dynamics model. Our formulation scales to high-dimensional continuous state spaces like images, bypasses the difficulties of directly predicting pixels, and, critically, ignores the aspects of the environment that cannot affect the agent. The proposed approach is evaluated in two environments: VizDoom and Super Mario Bros. Three broad settings are investigated: 1) sparse extrinsic reward, where curiosity allows for far fewer interactions with the environment to reach the goal; 2) exploration with no extrinsic reward, where curiosity pushes the agent to explore more efficiently; and 3) generalization to unseen scenarios (e.g. new levels of the same game) where the knowledge gained from earlier experience helps the agent explore new places much faster than starting from scratch. Demo video and code available at https://pathak22.github.io/noreward-rl/

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model's learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model's learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

Despite the recent progress of fully-supervised action segmentation techniques, the performance is still not fully satisfactory. One main challenge is the problem of spatiotemporal variations (e.g. different people may perform the same activity in various ways). Therefore, we exploit unlabeled videos to address this problem by reformulating the action segmentation task as a cross-domain problem with domain discrepancy caused by spatio-temporal variations. To reduce the discrepancy, we propose Self-Supervised Temporal Domain Adaptation (SSTDA), which contains two self-supervised auxiliary tasks (binary and sequential domain prediction) to jointly align cross-domain feature spaces embedded with local and global temporal dynamics, achieving better performance than other Domain Adaptation (DA) approaches. On three challenging benchmark datasets (GTEA, 50Salads, and Breakfast), SSTDA outperforms the current state-of-the-art method by large margins (e.g. for the F1@25 score, from 59.6% to 69.1% on Breakfast, from 73.4% to 81.5% on 50Salads, and from 83.6% to 89.1% on GTEA), and requires only 65% of the labeled training data for comparable performance, demonstrating the usefulness of adapting to unlabeled target videos across variations. The source code is available at https://github.com/cmhungsteve/SSTDA.

The characterization and analysis of light curves are vital for understanding the physical and rotational properties of artificial space objects such as satellites, rocket stages, and space debris. This paper introduces the Light Curve Dataset Creator (LCDC), a Python-based toolkit designed to facilitate the preprocessing, analysis, and machine learning applications of light curve data. LCDC enables seamless integration with publicly available datasets, such as the newly introduced Mini Mega Tortora (MMT) database. Moreover, it offers data filtering, transformation, as well as feature extraction tooling. To demonstrate the toolkit's capabilities, we created the first standardized dataset for rocket body classification, RoBo6, which was used to train and evaluate several benchmark machine learning models, addressing the lack of reproducibility and comparability in recent studies. Furthermore, the toolkit enables advanced scientific analyses, such as surface characterization of the Atlas 2AS Centaur and the rotational dynamics of the Delta 4 rocket body, by streamlining data preprocessing, feature extraction, and visualization. These use cases highlight LCDC's potential to advance space debris characterization and promote sustainable space exploration. Additionally, they highlight the toolkit's ability to enable AI-focused research within the space debris community.

Chaotic systems are intrinsically sensitive to small errors, challenging efforts to construct predictive data-driven models of real-world dynamical systems such as fluid flows or neuronal activity. Prior efforts comprise either specialized models trained separately on individual time series, or foundation models trained on vast time series databases with little underlying dynamical structure. Motivated by dynamical systems theory, we present Panda, Patched Attention for Nonlinear DynAmics. We train Panda on a novel synthetic, extensible dataset of 2 times 10^4 chaotic dynamical systems that we discover using an evolutionary algorithm. Trained purely on simulated data, Panda exhibits emergent properties: zero-shot forecasting of unseen real world chaotic systems, and nonlinear resonance patterns in cross-channel attention heads. Despite having been trained only on low-dimensional ordinary differential equations, Panda spontaneously develops the ability to predict partial differential equations without retraining. We demonstrate a neural scaling law for differential equations, underscoring the potential of pretrained models for probing abstract mathematical domains like nonlinear dynamics.

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

Dynamics prediction, which is the problem of predicting future states of scene objects based on current and prior states, is drawing increasing attention as an instance of learning physics. To solve this problem, Region Proposal Convolutional Interaction Network (RPCIN), a vision-based model, was proposed and achieved state-of-the-art performance in long-term prediction. RPCIN only takes raw images and simple object descriptions, such as the bounding box and segmentation mask of each object, as input. However, despite its success, the model's capability can be compromised under conditions of environment misalignment. In this paper, we investigate two challenging conditions for environment misalignment: Cross-Domain and Cross-Context by proposing four datasets that are designed for these challenges: SimB-Border, SimB-Split, BlenB-Border, and BlenB-Split. The datasets cover two domains and two contexts. Using RPCIN as a probe, experiments conducted on the combinations of the proposed datasets reveal potential weaknesses of the vision-based long-term dynamics prediction model. Furthermore, we propose a promising direction to mitigate the Cross-Domain challenge and provide concrete evidence supporting such a direction, which provides dramatic alleviation of the challenge on the proposed datasets.

Networks have become indispensable and ubiquitous structures in many fields to model the interactions among different entities, such as friendship in social networks or protein interactions in biological graphs. A major challenge is to understand the structure and dynamics of these systems. Although networks evolve through time, most existing graph representation learning methods target only static networks. Whereas approaches have been developed for the modeling of dynamic networks, there is a lack of efficient continuous time dynamic graph representation learning methods that can provide accurate network characterization and visualization in low dimensions while explicitly accounting for prominent network characteristics such as homophily and transitivity. In this paper, we propose the Piecewise-Velocity Model (PiVeM) for the representation of continuous-time dynamic networks. It learns dynamic embeddings in which the temporal evolution of nodes is approximated by piecewise linear interpolations based on a latent distance model with piecewise constant node-specific velocities. The model allows for analytically tractable expressions of the associated Poisson process likelihood with scalable inference invariant to the number of events. We further impose a scalable Kronecker structured Gaussian Process prior to the dynamics accounting for community structure, temporal smoothness, and disentangled (uncorrelated) latent embedding dimensions optimally learned to characterize the network dynamics. We show that PiVeM can successfully represent network structure and dynamics in ultra-low two-dimensional spaces. It outperforms relevant state-of-art methods in downstream tasks such as link prediction. In summary, PiVeM enables easily interpretable dynamic network visualizations and characterizations that can further improve our understanding of the intrinsic dynamics of time-evolving networks.

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical systems as factors of variation of the data generating process. By leveraging ideas from supervised disentanglement and causal factorization, we aim to separate the domain parameters from the dynamics in the latent space of generative models. In our experiments we model dynamics both in phase space and in video sequences and conduct rigorous OOD evaluations. Results indicate that disentangled VAEs adapt better to domain parameters spaces that were not present in the training data. At the same time, disentanglement can improve the long-term and out-of-distribution predictions of state-of-the-art models in video sequences.

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the observations. This paper provides a selective review of recent advancements in deep neural network-based approaches for SSMs, and presents a unified perspective for discrete time deep state space models and continuous time ones such as latent neural Ordinary Differential and Stochastic Differential Equations. It starts with an overview of the classical maximum likelihood based approach for learning SSMs, reviews variational autoencoder as a general learning pipeline for neural network-based approaches in the presence of latent variables, and discusses in detail representative deep learning models that fall under the SSM framework. Very recent developments, where SSMs are used as standalone architectural modules for improving efficiency in sequence modeling, are also examined. Finally, examples involving mixed frequency and irregularly-spaced time series data are presented to demonstrate the advantage of SSMs in these settings.

Learning accurate predictive models of real-world dynamic phenomena (e.g., climate, biological) remains a challenging task. One key issue is that the data generated by both natural and artificial processes often comprise time series that are irregularly sampled and/or contain missing observations. In this work, we propose the Neural Continuous-Discrete State Space Model (NCDSSM) for continuous-time modeling of time series through discrete-time observations. NCDSSM employs auxiliary variables to disentangle recognition from dynamics, thus requiring amortized inference only for the auxiliary variables. Leveraging techniques from continuous-discrete filtering theory, we demonstrate how to perform accurate Bayesian inference for the dynamic states. We propose three flexible parameterizations of the latent dynamics and an efficient training objective that marginalizes the dynamic states during inference. Empirical results on multiple benchmark datasets across various domains show improved imputation and forecasting performance of NCDSSM over existing models.

TD-learning is a foundation reinforcement learning (RL) algorithm for value prediction. Critical to the accuracy of value predictions is the quality of state representations. In this work, we consider the question: how does end-to-end TD-learning impact the representation over time? Complementary to prior work, we provide a set of analysis that sheds further light on the representation dynamics under TD-learning. We first show that when the environments are reversible, end-to-end TD-learning strictly decreases the value approximation error over time. Under further assumptions on the environments, we can connect the representation dynamics with spectral decomposition over the transition matrix. This latter finding establishes fitting multiple value functions from randomly generated rewards as a useful auxiliary task for representation learning, as we empirically validate on both tabular and Atari game suites.

As Vision Transformers (ViTs) become standard vision backbones, a mechanistic account of their computational phenomenology is essential. Despite architectural cues that hint at dynamical structure, there is no settled framework that interprets Transformer depth as a well-characterized flow. In this work, we introduce the Block-Recurrent Hypothesis (BRH), arguing that trained ViTs admit a block-recurrent depth structure such that the computation of the original L blocks can be accurately rewritten using only k ll L distinct blocks applied recurrently. Across diverse ViTs, between-layer representational similarity matrices suggest few contiguous phases. To determine whether these phases reflect genuinely reusable computation, we train block-recurrent surrogates of pretrained ViTs: Recurrent Approximations to Phase-structured TransfORmers (Raptor). In small-scale, we demonstrate that stochastic depth and training promote recurrent structure and subsequently correlate with our ability to accurately fit Raptor. We then provide an empirical existence proof for BRH by training a Raptor model to recover 96% of DINOv2 ImageNet-1k linear probe accuracy in only 2 blocks at equivalent computational cost. Finally, we leverage our hypothesis to develop a program of Dynamical Interpretability. We find i) directional convergence into class-dependent angular basins with self-correcting trajectories under small perturbations, ii) token-specific dynamics, where cls executes sharp late reorientations while patch tokens exhibit strong late-stage coherence toward their mean direction, and iii) a collapse to low rank updates in late depth, consistent with convergence to low-dimensional attractors. Altogether, we find a compact recurrent program emerges along ViT depth, pointing to a low-complexity normative solution that enables these models to be studied through principled dynamical systems analysis.

Deep-learning models can extract a rich assortment of features from data. Which features a model uses depends not only on predictivity-how reliably a feature indicates train-set labels-but also on availability-how easily the feature can be extracted, or leveraged, from inputs. The literature on shortcut learning has noted examples in which models privilege one feature over another, for example texture over shape and image backgrounds over foreground objects. Here, we test hypotheses about which input properties are more available to a model, and systematically study how predictivity and availability interact to shape models' feature use. We construct a minimal, explicit generative framework for synthesizing classification datasets with two latent features that vary in predictivity and in factors we hypothesize to relate to availability, and quantify a model's shortcut bias-its over-reliance on the shortcut (more available, less predictive) feature at the expense of the core (less available, more predictive) feature. We find that linear models are relatively unbiased, but introducing a single hidden layer with ReLU or Tanh units yields a bias. Our empirical findings are consistent with a theoretical account based on Neural Tangent Kernels. Finally, we study how models used in practice trade off predictivity and availability in naturalistic datasets, discovering availability manipulations which increase models' degree of shortcut bias. Taken together, these findings suggest that the propensity to learn shortcut features is a fundamental characteristic of deep nonlinear architectures warranting systematic study given its role in shaping how models solve tasks.

In the present research, we delve into the intricate realm of electroencephalogram (EEG) data analysis, focusing on sequence-to-sequence prediction of data across 32 EEG channels. The study harmoniously fuses the principles of applied chaos theory and dynamical systems theory to engender a novel feature set, enriching the representational capacity of our deep learning model. The endeavour's cornerstone is a transformer-based sequence-to-sequence architecture, calibrated meticulously to capture the non-linear and high-dimensional temporal dependencies inherent in EEG sequences. Through judicious architecture design, parameter initialisation strategies, and optimisation techniques, we have navigated the intricate balance between computational expediency and predictive performance. Our model stands as a vanguard in EEG data sequence prediction, demonstrating remarkable generalisability and robustness. The findings not only extend our understanding of EEG data dynamics but also unveil a potent analytical framework that can be adapted to diverse temporal sequence prediction tasks in neuroscience and beyond.

With the rapid advancement of large language models (LLMs) and vision-language models (VLMs), significant progress has been made in developing open-vocabulary robotic manipulation systems. However, many existing approaches overlook the importance of object dynamics, limiting their applicability to more complex, dynamic tasks. In this work, we introduce KUDA, an open-vocabulary manipulation system that integrates dynamics learning and visual prompting through keypoints, leveraging both VLMs and learning-based neural dynamics models. Our key insight is that a keypoint-based target specification is simultaneously interpretable by VLMs and can be efficiently translated into cost functions for model-based planning. Given language instructions and visual observations, KUDA first assigns keypoints to the RGB image and queries the VLM to generate target specifications. These abstract keypoint-based representations are then converted into cost functions, which are optimized using a learned dynamics model to produce robotic trajectories. We evaluate KUDA on a range of manipulation tasks, including free-form language instructions across diverse object categories, multi-object interactions, and deformable or granular objects, demonstrating the effectiveness of our framework. The project page is available at http://kuda-dynamics.github.io.

Recent studies suggest that deep learning models inductive bias towards favoring simpler features may be one of the sources of shortcut learning. Yet, there has been limited focus on understanding the complexity of the myriad features that models learn. In this work, we introduce a new metric for quantifying feature complexity, based on V-information and capturing whether a feature requires complex computational transformations to be extracted. Using this V-information metric, we analyze the complexities of 10,000 features, represented as directions in the penultimate layer, that were extracted from a standard ImageNet-trained vision model. Our study addresses four key questions: First, we ask what features look like as a function of complexity and find a spectrum of simple to complex features present within the model. Second, we ask when features are learned during training. We find that simpler features dominate early in training, and more complex features emerge gradually. Third, we investigate where within the network simple and complex features flow, and find that simpler features tend to bypass the visual hierarchy via residual connections. Fourth, we explore the connection between features complexity and their importance in driving the networks decision. We find that complex features tend to be less important. Surprisingly, important features become accessible at earlier layers during training, like a sedimentation process, allowing the model to build upon these foundational elements.

We showcase important features of the dynamics of the Stochastic Gradient Descent (SGD) in the training of neural networks. We present empirical observations that commonly used large step sizes (i) lead the iterates to jump from one side of a valley to the other causing loss stabilization, and (ii) this stabilization induces a hidden stochastic dynamics orthogonal to the bouncing directions that biases it implicitly toward sparse predictors. Furthermore, we show empirically that the longer large step sizes keep SGD high in the loss landscape valleys, the better the implicit regularization can operate and find sparse representations. Notably, no explicit regularization is used so that the regularization effect comes solely from the SGD training dynamics influenced by the step size schedule. Therefore, these observations unveil how, through the step size schedules, both gradient and noise drive together the SGD dynamics through the loss landscape of neural networks. We justify these findings theoretically through the study of simple neural network models as well as qualitative arguments inspired from stochastic processes. Finally, this analysis allows us to shed a new light on some common practice and observed phenomena when training neural networks. The code of our experiments is available at https://github.com/tml-epfl/sgd-sparse-features.

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.

Cognitive dynamics are pivotal to advance human understanding of the world. Recent advancements in large language models (LLMs) reveal their potential for cognitive simulation. However, these LLM-based cognitive studies primarily focus on static modeling, overlooking the dynamic nature of cognition. To bridge this gap, we propose the concept of the cognitive dynamics of LLMs and present a corresponding task with the inspiration of longitudinal studies. Towards the task, we develop CogBench, a novel benchmark to assess the cognitive dynamics of LLMs and validate it through participant surveys. We also design two evaluation metrics for CogBench, including Authenticity and Rationality. Recognizing the inherent static nature of LLMs, we introduce CogGPT for the task, which features an innovative iterative cognitive mechanism aimed at enhancing lifelong cognitive dynamics. Empirical results demonstrate the superiority of CogGPT over existing methods, particularly in its ability to facilitate role-specific cognitive dynamics under continuous information flows.

Automated feature engineering plays a critical role in improving predictive model performance for tabular learning tasks. Traditional automated feature engineering methods are limited by their reliance on pre-defined transformations within fixed, manually designed search spaces, often neglecting domain knowledge. Recent advances using Large Language Models (LLMs) have enabled the integration of domain knowledge into the feature engineering process. However, existing LLM-based approaches use direct prompting or rely solely on validation scores for feature selection, failing to leverage insights from prior feature discovery experiments or establish meaningful reasoning between feature generation and data-driven performance. To address these challenges, we propose LLM-FE, a novel framework that combines evolutionary search with the domain knowledge and reasoning capabilities of LLMs to automatically discover effective features for tabular learning tasks. LLM-FE formulates feature engineering as a program search problem, where LLMs propose new feature transformation programs iteratively, and data-driven feedback guides the search process. Our results demonstrate that LLM-FE consistently outperforms state-of-the-art baselines, significantly enhancing the performance of tabular prediction models across diverse classification and regression benchmarks.

We introduce a new class of time-continuous recurrent neural network models. Instead of declaring a learning system's dynamics by implicit nonlinearities, we construct networks of linear first-order dynamical systems modulated via nonlinear interlinked gates. The resulting models represent dynamical systems with varying (i.e., liquid) time-constants coupled to their hidden state, with outputs being computed by numerical differential equation solvers. These neural networks exhibit stable and bounded behavior, yield superior expressivity within the family of neural ordinary differential equations, and give rise to improved performance on time-series prediction tasks. To demonstrate these properties, we first take a theoretical approach to find bounds over their dynamics and compute their expressive power by the trajectory length measure in latent trajectory space. We then conduct a series of time-series prediction experiments to manifest the approximation capability of Liquid Time-Constant Networks (LTCs) compared to classical and modern RNNs. Code and data are available at https://github.com/raminmh/liquid_time_constant_networks

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.

This paper studies the emergence of interpretable categorical features within large language models (LLMs), analyzing their behavior across training checkpoints (time), transformer layers (space), and varying model sizes (scale). Using sparse autoencoders for mechanistic interpretability, we identify when and where specific semantic concepts emerge within neural activations. Results indicate clear temporal and scale-specific thresholds for feature emergence across multiple domains. Notably, spatial analysis reveals unexpected semantic reactivation, with early-layer features re-emerging at later layers, challenging standard assumptions about representational dynamics in transformer models.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

Diffusion models have achieved remarkable success across a wide range of generative tasks. A key challenge is understanding the mechanisms that prevent their memorization of training data and allow generalization. In this work, we investigate the role of the training dynamics in the transition from generalization to memorization. Through extensive experiments and theoretical analysis, we identify two distinct timescales: an early time τ_gen at which models begin to generate high-quality samples, and a later time τ_mem beyond which memorization emerges. Crucially, we find that τ_mem increases linearly with the training set size n, while τ_gen remains constant. This creates a growing window of training times with n where models generalize effectively, despite showing strong memorization if training continues beyond it. It is only when n becomes larger than a model-dependent threshold that overfitting disappears at infinite training times. These findings reveal a form of implicit dynamical regularization in the training dynamics, which allow to avoid memorization even in highly overparameterized settings. Our results are supported by numerical experiments with standard U-Net architectures on realistic and synthetic datasets, and by a theoretical analysis using a tractable random features model studied in the high-dimensional limit.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

The dynamics of materials failure is one of the most critical phenomena in a range of scientific and engineering fields, from healthcare to structural materials to transportation. In this paper we propose a specially designed deep neural network, DyFraNet, which can predict dynamic fracture behaviors by identifying a complete history of fracture propagation - from cracking onset, as a crack grows through the material, modeled as a series of frames evolving over time and dependent on each other. Furthermore, this model can not only forecast future fracture processes but also backcast to elucidate the past fracture history. In this scenario, once provided with the outcome of a fracture event, the model will elucidate past events that led to this state and will predict the future evolution of the failure process. By comparing the predicted results with atomistic-level simulations and theory, we show that DyFraNet can capture dynamic fracture mechanics by accurately predicting how cracks develop over time, including measures such as the crack speed, as well as when cracks become unstable. We use GradCAM to interpret how DyFraNet perceives the relationship between geometric conditions and fracture dynamics and we find DyFraNet pays special attention to the areas around crack tips, which have a critical influence in the early stage of fracture propagation. In later stages, the model pays increased attention to the existing or newly formed damage distribution in the material. The proposed approach offers significant potential to accelerate the exploration of the dynamics in material design against fracture failures and can be beneficially adapted for all kinds of dynamical engineering problems.

The success of the text-guided diffusion model has inspired the development and release of numerous powerful diffusion models within the open-source community. These models are typically fine-tuned on various expert datasets, showcasing diverse denoising capabilities. Leveraging multiple high-quality models to produce stronger generation ability is valuable, but has not been extensively studied. Existing methods primarily adopt parameter merging strategies to produce a new static model. However, they overlook the fact that the divergent denoising capabilities of the models may dynamically change across different states, such as when experiencing different prompts, initial noises, denoising steps, and spatial locations. In this paper, we propose a novel ensembling method, Adaptive Feature Aggregation (AFA), which dynamically adjusts the contributions of multiple models at the feature level according to various states (i.e., prompts, initial noises, denoising steps, and spatial locations), thereby keeping the advantages of multiple diffusion models, while suppressing their disadvantages. Specifically, we design a lightweight Spatial-Aware Block-Wise (SABW) feature aggregator that adaptive aggregates the block-wise intermediate features from multiple U-Net denoisers into a unified one. The core idea lies in dynamically producing an individual attention map for each model's features by comprehensively considering various states. It is worth noting that only SABW is trainable with about 50 million parameters, while other models are frozen. Both the quantitative and qualitative experiments demonstrate the effectiveness of our proposed Adaptive Feature Aggregation method. The code is available at https://github.com/tenvence/afa/.

Forecasting on sparse multivariate time series (MTS) aims to model the predictors of future values of time series given their incomplete past, which is important for many emerging applications. However, most existing methods process MTS's individually, and do not leverage the dynamic distributions underlying the MTS's, leading to sub-optimal results when the sparsity is high. To address this challenge, we propose a novel generative model, which tracks the transition of latent clusters, instead of isolated feature representations, to achieve robust modeling. It is characterized by a newly designed dynamic Gaussian mixture distribution, which captures the dynamics of clustering structures, and is used for emitting timeseries. The generative model is parameterized by neural networks. A structured inference network is also designed for enabling inductive analysis. A gating mechanism is further introduced to dynamically tune the Gaussian mixture distributions. Extensive experimental results on a variety of real-life datasets demonstrate the effectiveness of our method.

Given the variety of the visual world there is not one true scale for recognition: objects may appear at drastically different sizes across the visual field. Rather than enumerate variations across filter channels or pyramid levels, dynamic models locally predict scale and adapt receptive fields accordingly. The degree of variation and diversity of inputs makes this a difficult task. Existing methods either learn a feedforward predictor, which is not itself totally immune to the scale variation it is meant to counter, or select scales by a fixed algorithm, which cannot learn from the given task and data. We extend dynamic scale inference from feedforward prediction to iterative optimization for further adaptivity. We propose a novel entropy minimization objective for inference and optimize over task and structure parameters to tune the model to each input. Optimization during inference improves semantic segmentation accuracy and generalizes better to extreme scale variations that cause feedforward dynamic inference to falter.

Modeling stochastic dynamics from discrete observations is a key interdisciplinary challenge. Existing methods often fail to estimate the continuous evolution of probability densities from trajectories or face the curse of dimensionality. To address these limitations, we presents a novel paradigm: modeling dynamics directly in the weight space of a neural network by projecting the evolving probability distribution. We first theoretically establish the connection between dynamic optimal transport in measure space and an equivalent energy functional in weight space. Subsequently, we design WeightFlow, which constructs the neural network weights into a graph and learns its evolution via a graph controlled differential equation. Experiments on interdisciplinary datasets demonstrate that WeightFlow improves performance by an average of 43.02\% over state-of-the-art methods, providing an effective and scalable solution for modeling high-dimensional stochastic dynamics.

Neural multivariate regression underpins a wide range of domains such as control, robotics, and finance, yet the geometry of its learned representations remains poorly characterized. While neural collapse has been shown to benefit generalization in classification, we find that analogous collapse in regression consistently degrades performance. To explain this contrast, we analyze models through the lens of intrinsic dimension. Across control tasks and synthetic datasets, we estimate the intrinsic dimension of last-layer features (ID_H) and compare it with that of the regression targets (ID_Y). Collapsed models exhibit ID_H < ID_Y, leading to over-compression and poor generalization, whereas non-collapsed models typically maintain ID_H > ID_Y. For the non-collapsed models, performance with respect to ID_H depends on the data quantity and noise levels. From these observations, we identify two regimes (over-compressed and under-compressed) that determine when expanding or reducing feature dimensionality improves performance. Our results provide new geometric insights into neural regression and suggest practical strategies for enhancing generalization.

Climate change is expected to intensify and increase extreme events in the weather cycle. Since this has a significant impact on various sectors of our life, recent works are concerned with identifying and predicting such extreme events from Earth observations. With respect to wildfire danger forecasting, previous deep learning approaches duplicate static variables along the time dimension and neglect the intrinsic differences between static and dynamic variables. Furthermore, most existing multi-branch architectures lose the interconnections between the branches during the feature learning stage. To address these issues, this paper proposes a 2D/3D two-branch convolutional neural network (CNN) with a Location-aware Adaptive Normalization layer (LOAN). Using LOAN as a building block, we can modulate the dynamic features conditional on their geographical locations. Thus, our approach considers feature properties as a unified yet compound 2D/3D model. Besides, we propose using the sinusoidal-based encoding of the day of the year to provide the model with explicit temporal information about the target day within the year. Our experimental results show a better performance of our approach than other baselines on the challenging FireCube dataset. The results show that location-aware adaptive feature normalization is a promising technique to learn the relation between dynamic variables and their geographic locations, which is highly relevant for areas where remote sensing data builds the basis for analysis. The source code is available at https://github.com/HakamShams/LOAN.

Recent imitation learning policies, often framed as time series prediction tasks, directly map robotic observations-such as high-dimensional visual data and proprioception-into the action space. While time series prediction primarily relies on spatial domain modeling, the underutilization of frequency domain analysis in robotic manipulation trajectory prediction may lead to neglecting the inherent temporal information embedded within action sequences. To address this, we reframe imitation learning policies through the lens of the frequency domain and introduce the Wavelet Policy. This novel approach employs wavelet transforms (WT) for feature preprocessing and extracts multi-scale features from the frequency domain using the SE2MD (Single Encoder to Multiple Decoder) architecture. Furthermore, to enhance feature mapping in the frequency domain and increase model capacity, we introduce a Learnable Frequency-Domain Filter (LFDF) after each frequency decoder, improving adaptability under different visual conditions. Our results show that the Wavelet Policy outperforms state-of-the-art (SOTA) end-to-end methods by over 10% on four challenging robotic arm tasks, while maintaining a comparable parameter count. In long-range settings, its performance declines more slowly as task volume increases. The source code is available at https://github.com/lurenjia384/Wavelet_Policy.

We introduce X-Dyna, a novel zero-shot, diffusion-based pipeline for animating a single human image using facial expressions and body movements derived from a driving video, that generates realistic, context-aware dynamics for both the subject and the surrounding environment. Building on prior approaches centered on human pose control, X-Dyna addresses key shortcomings causing the loss of dynamic details, enhancing the lifelike qualities of human video animations. At the core of our approach is the Dynamics-Adapter, a lightweight module that effectively integrates reference appearance context into the spatial attentions of the diffusion backbone while preserving the capacity of motion modules in synthesizing fluid and intricate dynamic details. Beyond body pose control, we connect a local control module with our model to capture identity-disentangled facial expressions, facilitating accurate expression transfer for enhanced realism in animated scenes. Together, these components form a unified framework capable of learning physical human motion and natural scene dynamics from a diverse blend of human and scene videos. Comprehensive qualitative and quantitative evaluations demonstrate that X-Dyna outperforms state-of-the-art methods, creating highly lifelike and expressive animations. The code is available at https://github.com/bytedance/X-Dyna.

Discovering the underlying relationships among variables from temporal observations has been a longstanding challenge in numerous scientific disciplines, including biology, finance, and climate science. The dynamics of such systems are often best described using continuous-time stochastic processes. Unfortunately, most existing structure learning approaches assume that the underlying process evolves in discrete-time and/or observations occur at regular time intervals. These mismatched assumptions can often lead to incorrect learned structures and models. In this work, we introduce a novel structure learning method, SCOTCH, which combines neural stochastic differential equations (SDE) with variational inference to infer a posterior distribution over possible structures. This continuous-time approach can naturally handle both learning from and predicting observations at arbitrary time points. Theoretically, we establish sufficient conditions for an SDE and SCOTCH to be structurally identifiable, and prove its consistency under infinite data limits. Empirically, we demonstrate that our approach leads to improved structure learning performance on both synthetic and real-world datasets compared to relevant baselines under regular and irregular sampling intervals.

Earth observation is a fundamental tool for monitoring the evolution of land use in specific areas of interest. Observing and precisely defining change, in this context, requires both time-series data and pixel-wise segmentations. To that end, we propose the DynamicEarthNet dataset that consists of daily, multi-spectral satellite observations of 75 selected areas of interest distributed over the globe with imagery from Planet Labs. These observations are paired with pixel-wise monthly semantic segmentation labels of 7 land use and land cover (LULC) classes. DynamicEarthNet is the first dataset that provides this unique combination of daily measurements and high-quality labels. In our experiments, we compare several established baselines that either utilize the daily observations as additional training data (semi-supervised learning) or multiple observations at once (spatio-temporal learning) as a point of reference for future research. Finally, we propose a new evaluation metric SCS that addresses the specific challenges associated with time-series semantic change segmentation. The data is available at: https://mediatum.ub.tum.de/1650201.

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.

Environment understanding in egocentric videos is an important step for applications like robotics, augmented reality and assistive technologies. These videos are characterized by dynamic interactions and a strong dependence on the wearer engagement with the environment. Traditional approaches often focus on isolated clips or fail to integrate rich semantic and geometric information, limiting scene comprehension. We introduce Dynamic Image-Video Feature Fields (DIV FF), a framework that decomposes the egocentric scene into persistent, dynamic, and actor based components while integrating both image and video language features. Our model enables detailed segmentation, captures affordances, understands the surroundings and maintains consistent understanding over time. DIV-FF outperforms state-of-the-art methods, particularly in dynamically evolving scenarios, demonstrating its potential to advance long term, spatio temporal scene understanding.

Transformer-based models have significantly advanced time series forecasting, with patch-based input strategies offering efficiency and improved long-horizon modeling. Yet, existing approaches rely on temporally-agnostic patch construction, where arbitrary starting positions and fixed lengths fracture temporal coherence by splitting natural transitions across boundaries. This naive segmentation often disrupts short-term dependencies and weakens representation learning. In response, we propose EntroPE (Entropy-Guided Dynamic Patch Encoder), a novel, temporally informed framework that dynamically detects transition points via conditional entropy and dynamically places patch boundaries. This preserves temporal structure while retaining the computational benefits of patching. EntroPE consists of two key modules, namely an Entropy-based Dynamic Patcher (EDP) that applies information-theoretic criteria to locate natural temporal shifts and determine patch boundaries, and an Adaptive Patch Encoder (APE) that employs pooling and cross-attention to capture intra-patch dependencies and produce fixed-size latent representations. These embeddings are then processed by a global transformer to model inter-patch dynamics. Experiments across long-term forecasting benchmarks demonstrate that EntroPE improves both accuracy and efficiency, establishing entropy-guided dynamic patching as a promising new paradigm for time series modeling. Code is available at: https://github.com/Sachithx/EntroPE.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

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.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

We study how features emerge, disappear, and persist across models fine-tuned on different domains of text. More specifically, we start from a base one-layer Transformer language model that is trained on a combination of the BabyLM corpus, and a collection of Python code from The Stack. This base model is adapted to two new domains of text: TinyStories, and the Lua programming language, respectively; and then these two models are merged using these two models using spherical linear interpolation. Our exploration aims to provide deeper insights into the stability and transformation of features across typical transfer-learning scenarios using small-scale models and sparse auto-encoders.

We develop a novel, general and computationally efficient framework, called Divide and Conquer Dynamic Programming (DCDP), for localizing change points in time series data with high-dimensional features. DCDP deploys a class of greedy algorithms that are applicable to a broad variety of high-dimensional statistical models and can enjoy almost linear computational complexity. We investigate the performance of DCDP in three commonly studied change point settings in high dimensions: the mean model, the Gaussian graphical model, and the linear regression model. In all three cases, we derive non-asymptotic bounds for the accuracy of the DCDP change point estimators. We demonstrate that the DCDP procedures consistently estimate the change points with sharp, and in some cases, optimal rates while incurring significantly smaller computational costs than the best available algorithms. Our findings are supported by extensive numerical experiments on both synthetic and real data.

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are however difficult to characterize. Here, we introduce an unsupervised machine learning approach to determine the minimal set of parameters required to effectively describe the dynamics of a stochastic process. Our method builds upon an extended beta-variational autoencoder architecture. By means of simulated datasets corresponding to paradigmatic diffusion models, we showcase its effectiveness in extracting the minimal relevant parameters that accurately describe these dynamics. Furthermore, the method enables the generation of new trajectories that faithfully replicate the expected stochastic behavior. Overall, our approach enables for the autonomous discovery of unknown parameters describing stochastic processes, hence enhancing our comprehension of complex phenomena across various fields.