Daily Papers

Massive activations are scalar values in transformer hidden states that achieve values orders of magnitude larger than typical activations and have been shown to be critical for model functionality. While prior work has characterized these phenomena in fully trained models, the temporal dynamics of their emergence during training remain poorly understood. We present the first comprehensive analysis of massive activation development throughout transformer training, using the Pythia model family as our testbed. Through systematic analysis of various model sizes across multiple training checkpoints, we demonstrate that massive activation emergence follows predictable mathematical patterns that can be accurately modeled using an exponentially-modulated logarithmic function with five key parameters. We develop a machine learning framework to predict these mathematical parameters from architectural specifications alone, achieving high accuracy for steady-state behavior and moderate accuracy for emergence timing and magnitude. These findings enable architects to predict and potentially control key aspects of massive activation emergence through design choices, with significant implications for model stability, training cycle length, interpretability, and optimization. Our findings demonstrate that the emergence of massive activations is governed by model design and can be anticipated, and potentially controlled, before training begins.

Language-model agents increasingly face long-horizon tasks with evolving state, interdependent decisions, and delayed outcomes. Scaling their training requires diverse agentic environments, dependable outcome signals, and low extension cost. Existing generation pipelines commonly construct an environment before defining its outcome rule or annotating its trajectories, leaving dynamics and evaluation to be aligned post hoc. VHD-Play reverses this dependency by sampling and solving a mathematical model before a corpus-grounded setter renders its decision process as stateful tools. The executable dynamics and trajectory-scoring reference are inherited from the same solved model. The pipeline produces 3,300 diverse agentic environments at a cost of a few cents each. Training Qwen3.6-35B-A3B on three families raises its mean agentic score from 0.204 to 0.815 in a five-family diagnostic. Gains also appear on held-out instances from all three training families and eight unseen mechanism families, then extend beyond the generated substrate to external benchmarks for general function calling, travel planning, and 365-day e-commerce. On E-Commerce Bench, the trained checkpoint completes every run without bankruptcy and exceeds Qwen3.7-Max. We compare written-out problems with stateful versions that reveal or hide their parameters. The comparison shows that most of the learnable gap lies in stateful interaction rather than underlying problem solving. A frozen 35B setter realizes larger environments, and scale-matched training retains gains as mechanism size and horizon grow, indicating the potential for an evolving training substrate.

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.

Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher underlying dynamic properties is of major interest to scientific research. Existing approaches enable data transport along a temporal axis but are poorly scalable in high dimension and require restrictive assumptions to be met. To address these issues, we propose \textbf{Multi-Marginal temporal Schr\"odinger Bridge Matching} (MMtSBM) for video generation from unpaired data, extending the theoretical guarantees and empirical efficiency of Diffusion Schr\"odinger Bridge Matching (arXiv:archive/2303.16852) by deriving the Iterative Markovian Fitting algorithm to multiple marginals in a novel factorized fashion. Experiments show that MMtSBM retains theoretical properties on toy examples, achieves state-of-the-art performance on real world datasets such as transcriptomic trajectory inference in 100 dimensions, and for the first time recovers couplings and dynamics in very high dimensional image settings. Our work establishes multi-marginal Schr\"odinger bridges as a practical and principled approach for recovering hidden dynamics from static data.

Scientific agents must learn not only how to reason, but also what to believe. However, existing LLM agents typically express scientific hypotheses in free-form text, leaving their beliefs implicit and difficult to test or revise. We introduce EvoSCM, which equips scientific agents with explicit structural causal models that evolve as new experimental evidence is collected. EvoSCM maintains a population of competing SCM hypotheses, each encoding a candidate causal explanation of the environment, and evolves them through a closed discovery loop. In each round, the agent abduces latent mechanisms from accumulated evidence, designs discriminative interventions, and commits to falsifiable predictions that it tests through experimentation. Discrepancies between prediction and observation are inductively distilled into correction rules that revise the causal structures and mechanisms of each hypothesis, and the agent then deductively validates the revised population against accumulated evidence and structural consistency to guide the next round. We evaluate EvoSCM on DiscoverPhysics, a benchmark requiring agents to uncover the hidden dynamics of noncanonical physical worlds through experimentation. EvoSCM consistently improves scientific discovery over baselines, yielding more accurate explanations and predictions while making more effective use of experimental interactions.

Large reasoning models (LRMs) generate extended solutions, yet it remains unclear whether these traces reflect substantive internal computation or merely verbosity and overthinking. Although recent hidden-state analyses suggest that internal representations carry correctness-related signals, their coarse aggregations may obscure the token and layer structure underlying reasoning computation. We investigate hidden-state transitions across decoding steps and layers, and identify a distinct spatiotemporal pattern in LRMs: successful trajectories exhibit broad temporal dynamics with localized layer-wise concentration, while this structure is weaker in non-reasoning models and knowledge-heavy domains. We formalize this characteristic as Spatiotemporal Amplitude of Latent Transition (StALT), a training-free trajectory statistic that summarizes temporal changes between adjacent tokens weighted by within-token layer saliency. Across diverse models and benchmarks, StALT reliably separates correct from incorrect trajectories in reasoning-intensive regimes, providing a competitive label-free correctness signal alongside strong output-space and length-based baselines. Intervention analyses further show that this spatiotemporal amplitude responds systematically to manipulations that increase or reduce the demand for internal reasoning, supporting its association with latent reasoning dynamics in LRMs. These findings provide empirical evidence that LRMs exhibit measurable hidden-state dynamics and offer a practical probe for understanding internal computation beyond output-based evaluation.

When a language model generates text, the selection of individual tokens might lead it down very different reasoning paths, making uncertainty difficult to quantify. In this work, we consider whether reasoning language models represent the alternate paths that they could take during generation. To test this hypothesis, we use hidden activations to control and predict a language model's uncertainty during chain-of-thought reasoning. In our experiments, we find a clear correlation between how uncertain a model is at different tokens, and how easily the model can be steered by controlling its activations. This suggests that activation interventions are most effective when there are alternate paths available to the model -- in other words, when it has not yet committed to a particular final answer. We also find that hidden activations can predict a model's future outcome distribution, demonstrating that models implicitly represent the space of possible paths.

Failures in multi-turn reasoning models are largely invisible to terminal-score evaluation. A model can lock onto an unsafe stance early in a long dialogue, yet its final-turn refusal rate may appear indistinguishable from a robustly aligned baseline. To expose these hidden temporal dynamics, we propose a trace-level diagnostic - the CoT-Output 2x2 safety matrix. This framework labels every turn along two independent axes (internal reasoning and visible output), yielding four operationally defined failure cells: robust alignment, alignment faking, overt jailbreak, and a distinct failure mode we term context-injection failure (where the CoT maintains safe reasoning, but the visible output produces harm, highlighting a multi-turn manifestation of reasoning unfaithfulness). We evaluate three distilled reasoning targets against a fixed attacker across five oversight conditions, collecting 6750 turn-level observations on the Information-Hazard scenario. Our analysis reveals two reproducible vulnerabilities: an oversight paradox where explicit monitoring cues paradoxically increase alignment-faking rates rather than suppress them, and a context-injection failure where models lock onto unsafe external outputs despite safe internal states. We release the full dataset of multi-turn dialogues and CoT traces to support follow-up trace-diagnostic research.

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

Reinforcement Learning with Verifiable Rewards (RLVR) has recently demonstrated remarkable potential in enhancing the reasoning capability of Large Reasoning Models (LRMs). However, RLVR often leads to entropy collapse, resulting in premature policy convergence and performance saturation. While manipulating token-level entropy has proven effective for promoting policy exploration, we argue that the latent dynamics underlying token generation encode a far richer computational structure for steering policy optimization toward a more effective exploration-exploitation tradeoff. To enable tractable analysis and intervention of the latent dynamics of LRMs, we leverage Koopman operator theory to obtain a linearized representation of their hidden-state dynamics. This enables us to introduce Dynamic Spectral Dispersion (DSD), a new metric to quantify the heterogeneity of the model's latent dynamics, serving as a direct indicator of policy exploration. Building upon these foundations, we propose Reasoning with Latent eXploration (ReLaX), a paradigm that explicitly incorporates latent dynamics to regulate exploration and exploitation during policy optimization. Comprehensive experiments across a wide range of multimodal and text-only reasoning benchmarks show that ReLaX significantly mitigates premature convergence and consistently achieves state-of-the-art performance.

LLM agents increasingly operate through multi-turn tool use and environment interaction, where safety risks often emerge from intermediate steps long before they surface in the final outcome. Reactive auditing is therefore insufficient: post-hoc diagnosis frequently misses the chance to flag risks while they are unfolding. We propose TRACES, a representation-based proactive auditor that learns prefix-level trajectory risk states from the hidden representations of an observer LLM. TRACES induces latent mechanism features from step representations and models their temporal evolution to estimate whether a partial trajectory is drifting toward unsafe behavior. To sidestep the cost and ambiguity of step-level risk annotation, TRACES is trained with weak trajectory-level supervision while still producing dense prefix-level risk estimates. Across multiple agent safety benchmarks, TRACES improves both full-trajectory safety prediction and proactive risk discrimination. Our analyses further suggest that these risk states can help train a safer agent, highlighting the broader potential of proactive auditing for long-horizon agent safety.

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.

State Space Models (SSMs) have emerged as a promising alternative to Transformers for long-context sequence modeling, offering linear O(N) computational complexity compared to the Transformer's quadratic O(N^2) scaling. This paper presents a comprehensive benchmarking study comparing the Mamba SSM against the LLaMA Transformer on long-context sequences, using dyadic therapy sessions as a representative test case. We evaluate both architectures across two dimensions: (1) computational efficiency, where we measure memory usage and inference speed from 512 to 8,192 tokens, and (2) representational efficiency, where we analyze hidden state dynamics and attention patterns. Our findings provide actionable insights for practitioners working with long-context applications, establishing precise conditions under which SSMs offer advantages over Transformers.

The theory of state tracking in recurrent architectures has predominantly focused on expressive capacity: whether a fixed architecture can theoretically realize a set of symbolic transition rules. We argue that equally important is error control, the dynamics governing hidden-state drift along the directions that distinguish symbolic states. We prove that affine recurrent networks, a class of models encompassing State-Space Models and Linear Attention, cannot correct errors along state-separating subspaces once they preserve state representations. Consequently, practical affine trackers do not learn robust state tracking; rather, they learn finite horizon solutions governed by accumulated state-relevant error. We characterize the mechanics of this failure, showing that tracking remains readable only while the accumulating within-class spread remains small relative to the initial between-class separation. We demonstrate empirically on group state-tracking tasks that this breakdown is predictable: tracking collapses when the distinguishability ratio crosses the readability threshold of the trained decoder. Across trained models, the point of this crossing predicts the horizon at which downstream accuracy fails. These results establish that robust state tracking is determined not only by an architecture's theoretical expressivity but crucially by its error control.

This thesis addresses two persistent and closely related challenges in modern deep learning, reliability and efficiency, through a unified framework grounded in Spectral Geometry and Random Matrix Theory (RMT). As deep networks and large language models continue to scale, their internal behavior becomes increasingly opaque, leading to hallucinations, fragile generalization under distribution shift, and growing computational and energy demands. By analyzing the eigenvalue dynamics of hidden activations across layers and inputs, this work shows that spectral statistics provide a compact, stable, and interpretable lens on model behavior, capable of separating structured, causal representations from noise-dominated variability. Within this framework, the first contribution, EigenTrack, introduces a real-time method for detecting hallucinations and out-of-distribution behavior in large language and vision-language models. EigenTrack transforms streaming activations into spectral descriptors such as entropy, variance, and deviations from the Marchenko-Pastur baseline, and models their temporal evolution using lightweight recurrent classifiers, enabling early detection of reliability failures before they appear in model outputs while offering interpretable insight into representation dynamics. The second contribution, RMT-KD, presents a principled approach to compressing deep networks via random matrix theoretic knowledge distillation. By interpreting outlier eigenvalues in activation spectra as carriers of task-relevant information, RMT-KD progressively projects networks onto lower-dimensional subspaces through iterative self-distillation, yielding significantly more compact and energy-efficient models while preserving accuracy and dense, hardware-friendly structure.

Large Language Model (LLM) agents are increasingly deployed in unfamiliar and evolving environments, requiring them to proactively explore, understand, and adapt to environmental dynamics. However, existing benchmarks rarely test whether agents can proactively discover how an environment works and adapt as it evolves. To address this gap, we introduce AdaExploreBench, a benchmark for proactive exploration and test-time adaptation in evolving environments. By instantiating environmental dynamics as hidden rules, AdaExploreBench requires agents to actively acquire evidence and infer the rules. Under implicit rule drift, the latent rule changes without announcement, requiring agents to detect from degraded performance that prior knowledge is stale and re-explore. Experiments on eight leading LLMs show that proactive and adaptive exploration remain challenging: GPT-6 Sol achieves only 61.9% calibrated accuracy, while providing sufficient evidence or removing rule drift improves average performance significantly by close to 10%. These results reveal a critical bottleneck in current LLM agents: they can often reason effectively from informative evidence once it is available, but struggle to actively acquire the right evidence and recognize when previously acquired evidence is no longer valid.

Text-agent environments are typically modeled as partially observable Markov decision processes (POMDPs), assuming that the simulator's latent state and transition dynamics are hidden from the agent. Yet little work has examined whether executable code can be induced to serve as a world model for prediction and planning under partial observability. We introduce PatchWorld, a gradient-free framework that turns offline trajectories into executable Python world models through counterexample-guided code repair. Instead of predicting the next observation with a black-box model, PatchWorld induces symbolic belief-state programs whose action updates can be inspected, replayed, and locally patched. Across seven AgentGym environments, PatchWorld-Simple achieves the highest code-based planning score among evaluated methods, reaching 76.4\% macro success in live one-step lookahead while invoking no LLM calls inside the world-model prediction module itself. We further find that a human-specified residual-memory bias improves surface observation fidelity but weakens decision utility. This exposes a tradeoff in executable world models, since improving observation fidelity can come at the expense of action-discriminative dynamics, and vice versa. Code is available at https://github.com/HKBU-KnowComp/PatchWorld.

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.

In many real-world sequential decision-making problems, an action does not immediately reflect on the feedback and spreads its effects over a long time frame. For instance, in online advertising, investing in a platform produces an instantaneous increase of awareness, but the actual reward, i.e., a conversion, might occur far in the future. Furthermore, whether a conversion takes place depends on: how fast the awareness grows, its vanishing effects, and the synergy or interference with other advertising platforms. Previous work has investigated the Multi-Armed Bandit framework with the possibility of delayed and aggregated feedback, without a particular structure on how an action propagates in the future, disregarding possible dynamical effects. In this paper, we introduce a novel setting, the Dynamical Linear Bandits (DLB), an extension of the linear bandits characterized by a hidden state. When an action is performed, the learner observes a noisy reward whose mean is a linear function of the hidden state and of the action. Then, the hidden state evolves according to linear dynamics, affected by the performed action too. We start by introducing the setting, discussing the notion of optimal policy, and deriving an expected regret lower bound. Then, we provide an optimistic regret minimization algorithm, Dynamical Linear Upper Confidence Bound (DynLin-UCB), that suffers an expected regret of order mathcal{O} Big( d sqrt{T}{(1-rho)^{3/2}} Big), where rho is a measure of the stability of the system, and d is the dimension of the action vector. Finally, we conduct a numerical validation on a synthetic environment and on real-world data to show the effectiveness of DynLin-UCB in comparison with several baselines.

When does a language model acquire a capability? Developmental studies usually answer this by tracking when models start producing the correct token. But that prediction passes through the unembedding matrix, or readout, which is itself still being learned during pretraining. We show that a model's hidden states can encode task information before its own readout expresses it, so timelines read from outputs conflate what the model encodes with what its readout expresses. To track the readout directly, we introduce parameter-trajectory crosscoding, which fits one sparse dictionary to every token's readout row at every checkpoint. Unlike crosscoders on activations, it needs only checkpoint weights. We use it to locate a narrow early window, 0.4-1.1% of the way through Pythia's pretraining, in which the readout reorganizes and WordNet word categories become decodable from its rows. By then, linear probes on the hidden states already decode task information that the model's own outputs do not yet show. To test whether such gaps depend on how fast the readout learns, we pretrain small models from scratch that differ only in the readout's learning rate. We find that raising it makes the readout develop earlier and the gap close sooner, with little effect on final loss. Together, these results imply that early in training, where many developmental transitions are dated, a behavioral date can reflect when the readout learns to express task information and not when the model learns it.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the L_2 norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

Reinforcement learning with verifiable rewards has significantly advanced the reasoning capabilities of large language models, yet how to explicitly steer training toward exploration or exploitation remains an open problem. We introduce Token Hidden Reward (THR), a token-level metric that quantifies each token's influence on the likelihood of correct responses under Group Relative Policy Optimization (GRPO). We find that training dynamics are dominated by a small subset of tokens with high absolute THR values. Most interestingly, tokens with positive THR strengthen confidence in correct outputs, thus favoring exploitation, while tokens with negative THR preserve probability mass for alternative outputs, enabling exploration. This insight suggests a natural intervention: a THR-guided reweighting algorithm that modulates GRPO's learning signals to explicitly bias training toward exploitation or exploration. We validate the efficacy of this algorithm on diverse math reasoning benchmarks. By amplifying tokens with positive THR value and weakening negative ones, our algorithm improves greedy-decoding accuracy, favoring exploitation. The reverse strategy yields consistent gains in Pass@K accuracy, favoring exploration. We further demonstrate that our algorithm integrates seamlessly with other RL objectives such as GSPO and generalizes across architectures including Llama. These findings establish THR as a principled and fine-grained mechanism for dynamically controlling exploration and exploitation in RL-tuned LLMs, providing new tools for targeted fine-tuning in reasoning-intensive applications.

Significant recent work has studied the ability of gradient descent to recover a hidden planted direction θ^star in S^{d-1} in different high-dimensional settings, including tensor PCA and single-index models. The key quantity that governs the ability of gradient descent to traverse these landscapes is the information exponent k^star (Ben Arous et al., (2021)), which corresponds to the order of the saddle at initialization in the population landscape. Ben Arous et al., (2021) showed that n gtrsim d^{max(1, k^star-1)} samples were necessary and sufficient for online SGD to recover θ^star, and Ben Arous et al., (2020) proved a similar lower bound for Langevin dynamics. More recently, Damian et al., (2023) showed it was possible to circumvent these lower bounds by running gradient descent on a smoothed landscape, and that this algorithm succeeds with n gtrsim d^{max(1, k^star/2)} samples, which is optimal in the worst case. This raises the question of whether it is possible to achieve the same rate without explicit smoothing. In this paper, we show that Langevin dynamics can succeed with n gtrsim d^{ k^star/2 } samples if one considers the average iterate, rather than the last iterate. The key idea is that the combination of noise-injection and iterate averaging is able to emulate the effect of landscape smoothing. We apply this result to both the tensor PCA and single-index model settings. Finally, we conjecture that minibatch SGD can also achieve the same rate without adding any additional noise.

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.

Open-weight LLM agents are vulnerable to backdoors installed during fine-tuning, which may be undetectable if the trigger conditions are never met during testing. Assuming defenders do not know the existing trigger, they cannot unlearn it directly. One decontamination strategy is to install a known backdoor (defensive poisoning) then to unlearn it, hoping that the original unknown backdoor is removed as a side effect. However, this procedure has uncertain outcomes: the original backdoor may persist or be erased or rerouted, among other possibilities. We introduce a framework for studying these dynamics in tool-calling agents, decoupling trigger, response, teacher, and fine-tuning method across systematic experiments on AgentDyn. Across 115 experiments, defensive poisoning alone erases around 56% of original backdoors; subsequent decontamination then drives almost all survivors to erasure, confirming that trigger recognition and malicious execution are behaviorally dissociable. Interestingly, our experiments find that malicious backdoors never persist when using different triggers of the same general type as the defensive backdoor when followed by decontamination via unlearning. Co-installing up to four backdoors increases resistance (around 36% erased), yet decontaminating a single known co-resident backdoor collaterally clears 52/60 co-residents (87%). Upon visualizing postdecontamination model internals using J-lens, we confirm that although the decontamination restores benign LLM responses, traces of original trigger awareness persist at intermediate layers.

Current deep learning models for dynamics forecasting struggle with generalization. They can only forecast in a specific domain and fail when applied to systems with different parameters, external forces, or boundary conditions. We propose a model-based meta-learning method called DyAd which can generalize across heterogeneous domains by partitioning them into different tasks. DyAd has two parts: an encoder which infers the time-invariant hidden features of the task with weak supervision, and a forecaster which learns the shared dynamics of the entire domain. The encoder adapts and controls the forecaster during inference using adaptive instance normalization and adaptive padding. Theoretically, we prove that the generalization error of such procedure is related to the task relatedness in the source domain, as well as the domain differences between source and target. Experimentally, we demonstrate that our model outperforms state-of-the-art approaches on both turbulent flow and real-world ocean data forecasting tasks.

[This paper was initially published in PHME conference in 2016, selected for further publication in International Journal of Prognostics and Health Management.] This paper describes an Autoregressive Partially-hidden Markov model (ARPHMM) for fault detection and prognostics of equipments based on sensors' data. It is a particular dynamic Bayesian network that allows to represent the dynamics of a system by means of a Hidden Markov Model (HMM) and an autoregressive (AR) process. The Markov chain assumes that the system is switching back and forth between internal states while the AR process ensures a temporal coherence on sensor measurements. A sound learning procedure of standard ARHMM based on maximum likelihood allows to iteratively estimate all parameters simultaneously. This paper suggests a modification of the learning procedure considering that one may have prior knowledge about the structure which becomes partially hidden. The integration of the prior is based on the Theory of Weighted Distributions which is compatible with the Expectation-Maximization algorithm in the sense that the convergence properties are still satisfied. We show how to apply this model to estimate the remaining useful life based on health indicators. The autoregressive parameters can indeed be used for prediction while the latent structure can be used to get information about the degradation level. The interest of the proposed method for prognostics and health assessment is demonstrated on CMAPSS datasets.

Many control tasks exhibit similar dynamics that can be modeled as having common latent structure. Hidden-Parameter Markov Decision Processes (HiP-MDPs) explicitly model this structure to improve sample efficiency in multi-task settings. However, this setting makes strong assumptions on the observability of the state that limit its application in real-world scenarios with rich observation spaces. In this work, we leverage ideas of common structure from the HiP-MDP setting, and extend it to enable robust state abstractions inspired by Block MDPs. We derive instantiations of this new framework for both multi-task reinforcement learning (MTRL) and meta-reinforcement learning (Meta-RL) settings. Further, we provide transfer and generalization bounds based on task and state similarity, along with sample complexity bounds that depend on the aggregate number of samples across tasks, rather than the number of tasks, a significant improvement over prior work that use the same environment assumptions. To further demonstrate the efficacy of the proposed method, we empirically compare and show improvement over multi-task and meta-reinforcement learning baselines.

Safety alignment of Large Language Models (LLMs) is extremely fragile, as fine-tuning on a small number of benign samples can erase safety behaviors learned from millions of preference examples. Existing studies attempt to explain this phenomenon by comparing parameters and hidden states before and after fine-tuning, but overlook their dynamic evolution during fine-tuning. In this paper, we uncover a critical mechanism underlying safety degradation by analyzing parameter dynamics, where benign fine-tuning causes parameters to cumulatively drift toward danger-aligned directions, progressively undermining the model's safety. This finding suggests that samples contributing more to this drift has greater fine-tuning risks. Based on this insight, we propose a method of Sample-Level Quantification of Safety Degradation (SQSD), which quantifies the influence of each training sample on safety degradation. Specifically, SQSD computes continuous risk scores to samples by measuring their induced parameter updates' projection difference between danger and safety directions. Extensive experiments across multiple models and datasets demonstrate that SQSD effectively quantifies sample-level fine-tuning risks and exhibits strong transferability across model architectures, parameter scales, and parameter-efficient methods.

We identify Harmfulness Propagation Dynamics (HPD): for harmful prompts, the projection of the last-token hidden state onto a learned harm direction rises monotonically with transformer depth, whereas benign prompts remain flat or oscillatory. This cross-layer signature reflects harmful intent as a progressively resolved semantic property: surface form appears early, while pragmatic intent consolidates later, making the trajectory shape more informative than any single-layer snapshot. Moreover, LDA-based harm directions, learned per layer, remain stable across random splits (pairwise cosine similarity >0.97), supporting the projection sequence as a reproducible structured signal. Building on HPD, we introduce \herald{} (Harmful Encoding Recognition via Activation Layer Dynamics). This lightweight input moderator extracts a seven-dimensional feature record, slope, curvature, monotonicity, onset layer, and related statistics from the cross-layer projection sequence and classifies it with a 288-parameter MLP. stores one d-dimensional direction per layer (262\,KB for a 32-layer, d{=}4096 model), requires no gradient computation during training, and adds only 2.6{times}10^{-6} prefill FLOPs at inference. Across eight prompt-harmfulness benchmarks and four model families, achieves an average F1 of 89.3 on OLMo2-7B, surpassing all tested guard models on adversarial jailbreak detection (98.4 vs.\ 96.9 F1) and outperforming prior latent-based methods by 2.3-4.1 F1 points on every backbone. Per-instance trajectories provide machine-readable audit records that reveal when and how harmfulness emerges, offering an interpretability advantage over single-layer approaches.

Learning a precise dynamics model can be crucial for offline reinforcement learning, which, unfortunately, has been found to be quite challenging. Dynamics models that are learned by fitting historical transitions often struggle to generalize to unseen transitions. In this study, we identify a hidden but pivotal factor termed dynamics reward that remains consistent across transitions, offering a pathway to better generalization. Therefore, we propose the idea of reward-consistent dynamics models: any trajectory generated by the dynamics model should maximize the dynamics reward derived from the data. We implement this idea as the MOREC (Model-based Offline reinforcement learning with Reward Consistency) method, which can be seamlessly integrated into previous offline model-based reinforcement learning (MBRL) methods. MOREC learns a generalizable dynamics reward function from offline data, which is subsequently employed as a transition filter in any offline MBRL method: when generating transitions, the dynamics model generates a batch of transitions and selects the one with the highest dynamics reward value. On a synthetic task, we visualize that MOREC has a strong generalization ability and can surprisingly recover some distant unseen transitions. On 21 offline tasks in D4RL and NeoRL benchmarks, MOREC improves the previous state-of-the-art performance by a significant margin, i.e., 4.6% on D4RL tasks and 25.9% on NeoRL tasks. Notably, MOREC is the first method that can achieve above 95% online RL performance in 6 out of 12 D4RL tasks and 3 out of 9 NeoRL tasks.

Large Vision-Language Models (LVLMs) can reason effectively over both textual and visual inputs, but they tend to hallucinate syntactically coherent yet visually ungrounded contents. In this paper, we investigate the internal dynamics of hallucination by examining the tokens logits rankings throughout the generation process, revealing three key patterns in how LVLMs process information: (1) gradual visual information loss -- visually grounded tokens gradually become less favored throughout generation, and (2) early excitation -- semantically meaningful tokens achieve peak activation in the layers earlier than the final layer. (3) hidden genuine information -- visually grounded tokens though not being eventually decided still retain relatively high rankings at inference. Based on these insights, we propose VISTA (Visual Information Steering with Token-logit Augmentation), a training-free inference-time intervention framework that reduces hallucination while promoting genuine information. VISTA works by combining two complementary approaches: reinforcing visual information in activation space and leveraging early layer activations to promote semantically meaningful decoding. Compared to existing methods, VISTA requires no external supervision and is applicable to various decoding strategies. Extensive experiments show that VISTA on average reduces hallucination by abount 40% on evaluated open-ended generation task, and it consistently outperforms existing methods on four benchmarks across four architectures under three decoding strategies.

Continual Pre-Training (CPT) has become a popular and effective method to apply strong foundation models to specific downstream tasks. In this work, we explore the learning dynamics throughout the CPT process for large language models. We specifically focus on how general and downstream domain performance evolves at each training step, with domain performance measured via validation losses. We have observed that the CPT loss curve fundamentally characterizes the transition from one curve to another hidden curve, and could be described by decoupling the effects of distribution shift and learning rate annealing. We derive a CPT scaling law that combines the two factors, enabling the prediction of loss at any (continual) training steps and across learning rate schedules (LRS) in CPT. Our formulation presents a comprehensive understanding of several critical factors in CPT, including loss potential, peak learning rate, training steps, replay ratio, etc. Moreover, our approach can be adapted to customize training hyper-parameters to different CPT goals such as balancing general and domain-specific performance. Extensive experiments demonstrate that our scaling law holds across various CPT datasets and training hyper-parameters.

We introduce MoS (Mixture of States), a novel fusion paradigm for multimodal diffusion models that merges modalities using flexible, state-based interactions. The core of MoS is a learnable, token-wise router that creates denoising timestep- and input-dependent interactions between modalities' hidden states, precisely aligning token-level features with the diffusion trajectory. This router sparsely selects the top-k hidden states and is trained with an ε-greedy strategy, efficiently selecting contextual features with minimal learnable parameters and negligible computational overhead. We validate our design with text-to-image generation (MoS-Image) and editing (MoS-Editing), which achieve state-of-the-art results. With only 3B to 5B parameters, our models match or surpass counterparts up to 4times larger. These findings establish MoS as a flexible and compute-efficient paradigm for scaling multimodal diffusion models.

End-to-end autonomous driving has emerged as a compelling paradigm for learning planning directly from sensor observations, while recent world-model-based approaches further enrich this paradigm by enabling explicit reasoning about how the scene may evolve in the future. Yet future prediction alone does not guarantee better planning unless the predicted evolution can be converted into planning-relevant trajectory updates. Many current methods still forecast future scene states without explicitly decoding the motion implications hidden in state transitions. As a result, future reasoning often remains descriptively useful but only weakly coupled to executable motion generation. To address this limitation, we propose IDOL, an inverse-dynamics-guided future prediction framework for world-model-based end-to-end planning in latent BEV space, where inverse dynamics serves as the key bridge between future prediction and trajectory optimization. IDOL first predicts multiple future latent scene states with a BEV world model, then applies an inverse dynamics model to adjacent latent futures to decode transition-aware trajectory features and recover planning-relevant motion deltas that explain how the latent world evolves over time. These inverse-dynamics-derived signals are used to optimize the planned trajectory, turning future forecasting from passive scene anticipation into actionable planning guidance. A lightweight closed-loop refinement module further improves long-horizon consistency by reusing the optimized trajectory for another round of future-aware reasoning. By introducing inverse dynamics into latent future reasoning, IDOL tightens the coupling between world modeling and planning. Extensive experiments on the NAVSIM v1 and NAVSIM v2 benchmarks show that IDOL achieves state-of-the-art performance among comparable methods.

Large Language Models (LLMs) often produce fluent yet factually incorrect statements-a phenomenon known as hallucination-posing serious risks in high-stakes domains. We present Layer-wise Semantic Dynamics (LSD), a geometric framework for hallucination detection that analyzes the evolution of hidden-state semantics across transformer layers. Unlike prior methods that rely on multiple sampling passes or external verification sources, LSD operates intrinsically within the model's representational space. Using margin-based contrastive learning, LSD aligns hidden activations with ground-truth embeddings derived from a factual encoder, revealing a distinct separation in semantic trajectories: factual responses preserve stable alignment, while hallucinations exhibit pronounced semantic drift across depth. Evaluated on the TruthfulQA and synthetic factual-hallucination datasets, LSD achieves an F1-score of 0.92, AUROC of 0.96, and clustering accuracy of 0.89, outperforming SelfCheckGPT and Semantic Entropy baselines while requiring only a single forward pass. This efficiency yields a 5-20x speedup over sampling-based methods without sacrificing precision or interpretability. LSD offers a scalable, model-agnostic mechanism for real-time hallucination monitoring and provides new insights into the geometry of factual consistency within large language models.

Neural networks trained with gradient descent often learn solutions of increasing complexity over time, a phenomenon known as simplicity bias. Despite being widely observed across architectures, existing theoretical treatments lack a unifying framework. We present a theoretical framework that explains a simplicity bias arising from saddle-to-saddle learning dynamics for a general class of neural networks, incorporating fully-connected, convolutional, and attention-based architectures. Here, simple means expressible with few hidden units, i.e., hidden neurons, convolutional kernels, or attention heads. Specifically, we show that linear networks learn solutions of increasing rank, ReLU networks learn solutions with an increasing number of kinks, convolutional networks learn solutions with an increasing number of convolutional kernels, and self-attention models learn solutions with an increasing number of attention heads. By analyzing fixed points, invariant manifolds, and dynamics of gradient descent learning, we show that saddle-to-saddle dynamics operates by iteratively evolving near an invariant manifold, approaching a saddle, and switching to another invariant manifold. Our analysis also disentangles data-induced and initialization-induced saddle-to-saddle dynamics. In particular, the former leads to low-rank weights while the latter to sparse weights. Equipped with the theory, we predict the effects of data distribution and weight initialization on the duration and number of plateaus in learning. Overall, our theory offers a framework for understanding when and why gradient descent progressively learns increasingly complex solutions.

Chain-of-Thought (CoT) improves the reasoning ability of Large Language Models (LLMs) but incurs substantial computation and context costs. Existing methods either lose intermediate information through hard pruning or lack a principled criterion for continuous compression. We present A*-Thought-V2, a geometric dynamics of LLM guided framework that models CoT as a hidden-state trajectory and replaces hard deletion with an explicit-implicit interleaved latent architecture. After projecting question, step, and solution representations into a 3D PCA space, it measures alignment between each local transition and global question-to-solution direction. Aligned steps remain explicit text, whereas deviating steps are compressed into continuous latent tokens. Directional angles capture both local semantics and reasoning dynamics: small angles indicate direct execution and answer formation, while large angles more frequently involve checking, correction, and branch exploration; their temporal variation reveals exploration, convergence, and refinement stages. To train this architecture, we introduce stepwise embedding forcing, which pools each redundant step into a single latent embedding, and label forcing, which supervises that latent token with a soft multi-modal vocabulary distribution instead of a hard one-hot label. Experiments on Qwen3.5-9B and Qwen3.6-27B across six in-domain and out-of-domain benchmarks show that A*-Thought-V2 improves average accuracy by up to 2.6% while reducing response length by up to half, increasing Accuracy per Computation Unit by 2.29times, and reducing preprocessing and training time by 94.6% and up to 80.3%, respectively. Representation analyses suggest that latent states form a compact region distinct from textual states, while higher entropy at latent-token positions reflects broader soft targets that encourage richer step-level feature learning.

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of "kick neurons" initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures - fully connected, cyclic, and linear-chain - reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.

Large Language Model (LLM) multi-agent systems are increasingly deployed as interacting agent societies, yet scaling these systems often yields diminishing or unstable returns, the causes of which remain poorly understood. We present the first large-scale empirical study of coordination dynamics in LLM-based multi-agent systems, introducing an atomic event-level formulation that reconstructs reasoning as cascades of coordination. Analyzing over 1.5 Million interactions across tasks, topologies, and scales, we uncover three coupled laws: coordination follows heavy-tailed cascades, concentrates via preferential attachment into intellectual elites, and produces increasingly frequent extreme events as system size grows. We show that these effects are coupled through a single structural mechanism: an integration bottleneck, in which coordination expansion scales with system size while consolidation does not, producing large but weakly integrated reasoning processes. To test this mechanism, we introduce Deficit-Triggered Integration (DTI), which selectively increases integration under imbalance. DTI improves performance precisely where coordination fails, without suppressing large-scale reasoning. Together, our results establish quantitative laws of collective cognition and identify coordination structure as a fundamental, previously unmeasured axis for understanding and improving scalable multi-agent intelligence.

Large Reasoning Models (LRMs) introduce new opportunities for safety monitoring through their Chain of Thought (CoT) reasoning. However, CoT is not always faithful to the model's final output, undermining its reliability as a monitoring tool. To address this, we investigate the hidden representations of LRMs to determine whether future behavior can be predicted from prompt and CoT representations. By evaluating a probe at each generated token, we construct a probe trajectory, the continuous evolution of a concept's probability across the reasoning process. We find that future model behavior is more distinguishable when examined over the full trajectory than from a single static prediction. To characterize these temporal dynamics, we extract signal-processing features that capture volatility, trend, and steady-state behavior, significantly improving the separation of future model states. We also present two methodological insights. First, template-based training data achieves near-parity with dynamically generated model responses, eliminating the need for a costly initial inference and labeling. Second, the choice of pooling operation is critical: average-pooling and last-token methods collapse to near-random performance, while max-pooling achieves up to 95% AUROC and yields stable probe trajectories. Using four datasets and four reasoning models across the domains of safety and mathematics, we demonstrate that trajectory features encode task-specific dynamics that improve outcome separability. These findings establish probe trajectories as a complementary framework for monitoring LRM behavior. Warning: This article contains potentially harmful content.

Representation Engineering analyses often characterize refusal using static directions extracted from terminal or pooled representations. We ask whether this view misses how refusal is constructed across layer-token positions. Using causal tracing, we identify a Refusal Trajectory: a sparse upstream activation pattern that often persists even when attacks such as GCG suppress terminal refusal signals. Based on this observation, we propose SALO (Sparse Activation Localization Operator), a lightweight white-box detector that operates on raw hidden-state volumes from a selected layer window. Across Qwen, Llama, and Mistral models, SALO improves jailbreak detection on several attack families under a fixed XSTest-calibrated operating point. We further analyze static RepE-style baselines, ROI sensitivity, adaptive GCG attacks, and encoded-input boundary cases, clarifying both the promise and limitations of refusal-trajectory monitoring.

Reinforcement learning (RL) finetuning has become a key technique for enhancing the reasoning abilities of large language models (LLMs). However, its effectiveness critically depends on the selection of training data. Recent advances underscore the importance of online prompt selection methods, which typically concentrate training on partially solved or moderately challenging examples under the current policy, thereby yielding more effective model updates. While significantly accelerating RL finetuning in terms of training steps, they also incur substantial computational overhead by requiring extensive LLM rollouts over large candidate batches to identify informative samples, an expense that can outweigh the finetuning process itself. To address this challenge, this work proposes Dynamics-Predictive Sampling (DPS), which online predicts and selects informative prompts by inferring their learning dynamics prior to costly rollouts. Specifically, we introduce a new perspective by modeling each prompt's solving progress during RL finetuning as a dynamical system, where the extent of solving is represented as the state and the transition is characterized by a hidden Markov model. Using historical rollout reward signals, we perform online Bayesian inference to estimate evolving state distributions, and the inference outcome provides a predictive prior for efficient prompt selection without rollout-intensive filtering. Empirical results across diverse reasoning tasks, including mathematics, planning, and visual geometry, demonstrate that DPS substantially reduces redundant rollouts, accelerates the training process, and achieves superior reasoning performance.

World models in robot learning predict future states from visual observations and actions, enabling agents to reason about the consequences of their controls. However, many action-conditioned models are evaluated in settings where motion is dominated by immediate control, whereas aquatic surface vehicles and other real-world objects continue moving under inertia and are displaced by hidden ambient drift, such as water currents or wind. We propose FlowMo-WM, an end-to-end trainable visual world model that infers object-centric motion state and a predictive long-history context associated with hidden drift from image-action histories without direct supervision of flow fields. FlowMo-WM factorizes image-action history into a short-history latent state, trained to summarize object-centric motion, and a longer-history context, trained to summarize slowly varying exogenous influences. A zero-context residual transition separates action-conditioned base dynamics from context-dependent drift effects during latent rollout. In simulated aquatic surface-vehicle environments with diverse hidden flows, disturbances, and randomized vehicle dynamics, FlowMo-WM improves long-horizon rollout accuracy over representative action-conditioned latent world models. Prediction-time context ablations, in which the inferred context is zeroed or shuffled during rollout, show that the ambient context is important for stable prediction under hidden drift, while frozen linear probes characterize information encoded in the learned factors.

The kinematics of an articulated object is often ambiguous from vision alone. Interaction resolves the ambiguity, and active perception methods exploit this by searching for the single action that most sharpens a belief over the kinematic parameters at each step. Such greedy search cannot be extended over a horizon without forward models of the contact and inertial dynamics, which are themselves unknown. We instead amortize action selection into training. We maintain a belief distribution over joint type and parameters, initialized from a generative prior and updated by Bayesian filtering on the observed part motion. To condition the policy on this belief, we render it as a per-point articulation flow field, the motion that the current posterior predicts for every point on the object. Carrying the inductive bias of articulated motion, this representation generalizes better than a latent encoding of the belief or flow tracked from observation. We train the policy with reinforcement learning, rewarding the entropy that each interaction removes from the posterior, so that informative exploration becomes learned behavior rather than a search at every step. Our method outperforms previous approaches across door and drawer manipulation on the PartManip benchmark, and reaches 61.7% success on ArticuRiddle, a new dataset of objects whose appearance implies the wrong articulation, against 44.4% for the best previous method. Project Website: https://hiddenkinematics.github.io/

A central goal of biology is to predict the dynamics of multicellular systems. Lineage context (the states of a cell's sisters, cousins, etc.) could inform these predictions, but how best to leverage it remains unclear. Here we introduce lineage inpainting, a generative modeling approach that uses lineage context with tree-structured transformers and stochastic interpolants to model cell state dynamics across lineage trees. Applied to a lineage-traced transcriptional atlas of mouse embryogenesis, it recovers dynamics not resolved by gene expression alone, including multiple transcriptional convergence events where distinct lineages are drawn to a common state. Despite being fit on unperturbed development, lineage inpainting can generate hypotheses about perturbation responses by simulating counterfactuals. These simulations agree in many cases with observed developmental phenotypes, including a single-cell measurement of the Tbx5 knockout response. Our results show that lineage information provides a rich source of context for learning multicellular dynamics.

Despite the widespread practical success of deep learning methods, our theoretical understanding of the dynamics of learning in deep neural networks remains quite sparse. We attempt to bridge the gap between the theory and practice of deep learning by systematically analyzing learning dynamics for the restricted case of deep linear neural networks. Despite the linearity of their input-output map, such networks have nonlinear gradient descent dynamics on weights that change with the addition of each new hidden layer. We show that deep linear networks exhibit nonlinear learning phenomena similar to those seen in simulations of nonlinear networks, including long plateaus followed by rapid transitions to lower error solutions, and faster convergence from greedy unsupervised pretraining initial conditions than from random initial conditions. We provide an analytical description of these phenomena by finding new exact solutions to the nonlinear dynamics of deep learning. Our theoretical analysis also reveals the surprising finding that as the depth of a network approaches infinity, learning speed can nevertheless remain finite: for a special class of initial conditions on the weights, very deep networks incur only a finite, depth independent, delay in learning speed relative to shallow networks. We show that, under certain conditions on the training data, unsupervised pretraining can find this special class of initial conditions, while scaled random Gaussian initializations cannot. We further exhibit a new class of random orthogonal initial conditions on weights that, like unsupervised pre-training, enjoys depth independent learning times. We further show that these initial conditions also lead to faithful propagation of gradients even in deep nonlinear networks, as long as they operate in a special regime known as the edge of chaos.

This paper introduces a novel learning-based Stochastic Hybrid System (LSHS) approach for detecting and classifying various contingencies in modern power systems. Specifically, the proposed method is capable of identifying hidden contingencies that cannot be captured by existing sensing and monitoring systems, such as failures in protection systems or line outages in distribution networks. The LSHS approach detects contingencies by analyzing system outputs and behaviors. It then categorizes them based on their impact on the SHS model into physical, control network, and measurement contingencies. The stochastic hybrid system (SHS) model is further extended into an advanced closed-loop framework incorporating both system dynamics and observer-based state estimation error dynamics. Machine learning methods within the LSHS framework are employed for contingency classification and rapid detection. The practicality and effectiveness of the proposed methodology are validated through simulations on an enhanced IEEE-33 bus system. The results demonstrate that the LSHS framework significantly improves the accuracy and speed of contingency detection compared to state-of-the-art methods, offering a promising solution for enhancing power system contingency detection.

Vision-Language-Action (VLA) models have emerged as a promising paradigm for robot learning, but their representations are still largely inherited from static image-text pretraining, leaving physical dynamics to be learned from comparatively limited action data. Generative video models, by contrast, encode rich spatiotemporal structure and implicit physics, making them a compelling foundation for robotic manipulation. But their potentials are not fully explored in the literature. To bridge the gap, we introduce DiT4DiT, an end-to-end Video-Action Model that couples a video Diffusion Transformer with an action Diffusion Transformer in a unified cascaded framework. Instead of relying on reconstructed future frames, DiT4DiT extracts intermediate denoising features from the video generation process and uses them as temporally grounded conditions for action prediction. We further propose a dual flow-matching objective with decoupled timesteps and noise scales for video prediction, hidden-state extraction, and action inference, enabling coherent joint training of both modules. Across simulation and real-world benchmarks, DiT4DiT achieves state-of-the-art results, reaching average success rates of 98.6% on LIBERO and 50.8% on RoboCasa GR1 while using substantially less training data. On the Unitree G1 robot, it also delivers superior real-world performance and strong zero-shot generalization. Importantly, DiT4DiT improves sample efficiency by over 10x and speeds up convergence by up to 7x, demonstrating that video generation can serve as an effective scaling proxy for robot policy learning. We release code and models at https://dit4dit.github.io/.

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.

Efficient neural network models that generate brain-like dynamic activity can be a valuable resource for generating synthetic data, analyzing differences in brain transients under conditions such as testing perturbation activity or inferring the underlying generative dynamics. However, large language models (LLMs) or standard recurrent neural networks (RNNs) ignore the anatomical organization and therefore do not produce components that align with brain regions. On the other hand, graph-based networks often have very simple message passing rules that are not sufficiently expressive for brain-like dynamics. To address this, we introduce BrainDyn, a sheaf neural ordinary differential equation (neural ODE) model for continuous-time dynamics on structured brain graphs. BrainDyn encodes the recent activity history of each brain region using a long short-term memory (LSTM) model over a sliding temporal window to produce hidden states, or stalks, that are projected through learnable restriction maps into edge-specific shared spaces. Discrepancies between neighboring nodes in these shared spaces are characterized by a sheaf Laplacian that can facilitate message passing between neuronal units. The output of these messages is then fed to a neural ODE that governs the continuous-time evolution of neuronal activity. We evaluated BrainDyn on resting-state fMRI (PNC dataset), scalp EEG with focal epilepsy (TUSZ dataset), and simulated activity from the NEST spiking network simulator. BrainDyn achieves strong forecasting ability across modalities, and the resulting representations support downstream tasks including in silico perturbation prediction.

LLM-based agents are increasingly used to simulate deliberative interactions such as negotiation, conflict resolution, and multi-turn opinion exchange. Yet generated transcripts often do not reveal why an agent's stance changes: movement may reflect evidence uptake, anchoring, role drift, echoing, or changed prompt and retrieval context. We introduce the Belief Engine (BE), an auditable belief-update layer that treats "belief" as an evidential state over a proposition and exposes it as scalar stance. BE extracts arguments into structured memory and updates stance with a log-odds rule controlled by evidence uptake u and prior anchoring a. Across multiple base LLMs, parameter sweeps show that these controls reliably shape stance dynamics while preserving an evidence-level update trail. On DEBATE, a human deliberation dataset with pre/post opinions, BE best reconstructs participants whose final stance follows extracted evidence; stable and evidence-opposed cases instead point to anchoring or factors outside the extracted evidence stream. BE provides configurable infrastructure for studying evidence-grounded deliberation, where openness, commitment, convergence, and disagreement can be tied to explicit update assumptions rather than hidden prompt effects.

Machine-learned interatomic potentials distilled from foundation models enable fast large-scale molecular dynamics (MD), but they can fail locally in chemical environments that their training data did not sample. System-averaged error metrics and small random audits often miss such sparse or isolated failures. Here we use an exact equivariant foundation model, MACE-MPA-0, to check every atom of million-atom production simulations. Reorganizing two-layer MACE inference into a receiver-chunked three-pass schedule that keeps no per-edge intermediates resident reduces the marginal memory per atom 340-fold, evaluates up to 2.86times10^{7} atoms on a single H200 GPU, and supervises 10^{6}-atom trajectories in LAMMPS at 1.3% of the run time. Distilled MACE students run four to nine times slower than NEP89 with 0.95-1.28 times the teacher's force error against density functional theory (DFT). In molten SiO_2, whole-system checks uncover a persistent tail of under-coordinated atoms hidden by the system-averaged error and an isolated, unphysical O-O contact that a 1% random audit misses 94% of the time. On-the-fly retraining on teacher-labelled 13-Å clusters, with the force loss restricted to their inner 6 Å, removes three quarters of the failure tail and the kilobar-level pressure biases in SiO_2 and compressed water; the repair converges to the teacher, not to DFT.

Energy-based models (EBMs) implement inference as gradient descent on a learned Lyapunov function, yielding interpretable, structure-preserving alternatives to black-box neural ODEs and aligning naturally with physical AI. Yet their use in system identification remains limited, and existing architectures lack formal stability guarantees that globally preclude unstable modes. We address this gap by introducing an EBM framework for system identification with stable, dissipative, absorbing invariant dynamics. Unlike classical global Lyapunov stability, absorbing invariance expands the class of stability-preserving architectures, enabling more flexible and expressive EBMs. We extend EBM theory to nonsmooth activations by establishing negative energy dissipation via Clarke derivatives and deriving new conditions for radial unboundedness, exposing a stability-expressivity tradeoff in standard EBMs. To overcome this, we introduce a hybrid architecture with a dynamical visible layer and static hidden layers, prove absorbing invariance under mild assumptions, and show that these guarantees extend to port-Hamiltonian EBMs. Experiments on metric-deformed multi-well and ring systems validate the approach, showcasing how our hybrid EBM architecture combines expressivity with sound and provable safety guarantees by design.

We discover that large language models exhibit spectral phase transitions in their hidden activation spaces when engaging in reasoning versus factual recall. Through systematic spectral analysis across 11 models spanning 5 architecture families (Qwen, Pythia, Phi, Llama, DeepSeek-R1), we identify seven core phenomena: (1)~Reasoning Spectral Compression -- 9/11 models show significantly lower α for reasoning (p < 0.05), with larger effects in stronger models; (2)~Instruction Tuning Spectral Reversal -- base models show reasoning α< factual α, while instruction-tuned models reverse this relationship; (3)~Architecture-Dependent Generation Taxonomy -- prompt-to-response shifts partition into expansion, compression, and equilibrium regimes; (4)~Spectral Scaling Law -- α_reasoning propto -0.074 ln N across 4 Qwen base models (R^2 = 0.46); (5)~Token-Level Spectral Cascade -- per-token alpha tracking reveals local synchronization that decays exponentially with layer distance, and is weaker for reasoning than factual tasks; (6)~Reasoning Step Spectral Punctuation -- phase-transition signatures align with reasoning step boundaries; and (7)~Spectral Correctness Prediction -- spectral α alone achieves AUC = 1.000 (Qwen2.5-7B, late layers) and mean AUC = 0.893 across 6 models in predicting correctness before the final answer is generated. Together, these findings establish a comprehensive spectral theory of reasoning in transformers, revealing that the geometry of thought is universal in direction, architecture-specific in dynamics, and predictive of outcome.

Understanding cellular trajectories via time-resolved single-cell transcriptomics is vital for studying development, regeneration, and disease. A key challenge is inferring continuous trajectories from discrete snapshots. Biological complexity stems from stochastic cell fate decisions, temporal proliferation changes, and spatial environmental influences. Current methods often use deterministic interpolations treating cells in isolation, failing to capture the probabilistic branching, population shifts, and niche-dependent signaling driving real biological processes. We introduce Manifold Interpolating Optimal-Transport Flow (MIOFlow) 2.0. This framework learns biologically informed cellular trajectories by integrating manifold learning, optimal transport, and neural differential equations. It models three core processes: (1) stochasticity and branching via Neural Stochastic Differential Equations; (2) non-conservative population changes using a learned growth-rate model initialized with unbalanced optimal transport; and (3) environmental influence through a joint latent space unifying gene expression with spatial features like local cell type composition and signaling. By operating in a PHATE-distance matching autoencoder latent space, MIOFlow 2.0 ensures trajectories respect the data's intrinsic geometry. Empirical comparisons show expressive trajectory learning via neural differential equations outperforms existing generative models, including simulation-free flow matching. Validated on synthetic datasets, embryoid body differentiation, and spatially resolved axolotl brain regeneration, MIOFlow 2.0 improves trajectory accuracy and reveals hidden drivers of cellular transitions, like specific signaling niches. MIOFlow 2.0 thus bridges single-cell and spatial transcriptomics to uncover tissue-scale trajectories.

Decoder hidden states from different layers of large language models (LLMs) often encode complementary information. However, existing speculative decoding methods typically rely on a small set of target-model layers chosen using fixed, position-based heuristics. Selecting an optimal subset of layers is inherently a combinatorial problem, making exhaustive evaluation infeasible even for moderately deep models. In this work, we present a principled framework for multi-layer hidden-state selection for speculative decoding based on two complementary criteria: informativeness, measured through matrix-entropy analysis, and diversity, quantified using centered kernel alignment (CKA). We investigate layer-wise Shannon entropy, aggregate entropy under hidden-state concatenation, and pairwise CKA dynamics across depth, revealing distinct geometric and informational compartments within decoder representations. Motivated by these findings, we propose entropy and CKA-based layer selection algorithms that favor hidden-state sets that are both highly informative and minimally redundant. As part of this framework, we introduce token-entropy filtering, which removes hidden states associated with low predictive-entropy tokens, thereby improving the quality of layer-selection statistics. In EAGLE3-style speculative decoding, our selected sets outperform fixed baseline choices, including the default [2, N//2, N-3] rule, while providing a clearer explanation of why some defaults can remain competitive. Our results provide a practical recipe for multi-layer hidden-state selection for speculative decoding, insights into the geometry and information in LLM decoder states, and a foundation for extending similar analysis to related applications.

A prevailing view in Reinforcement Learning for Verifiable Rewards (RLVR) interprets recent progress through the lens of an exploration-exploitation trade-off, a perspective largely shaped by token-level metrics. We re-examine this perspective, proposing that this perceived trade-off may not be a fundamental constraint but rather an artifact of the measurement level. To investigate this, we shift the analysis to the semantically rich hidden-state space, adopting Effective Rank (ER) to quantify exploration and proposing its novel first- and second-order derivatives, named Effective Rank Velocity (ERV) and Effective Rank Acceleration (ERA), to capture exploitation dynamics. Our analysis reveals that at the hidden-state level, exploration and exploitation could be decoupled (Sec. 4). This finding reveals an opportunity to enhance both capacities simultaneously. This insight motivates our method, Velocity-Exploiting Rank-Learning (VERL), the first to operationalize the principle of synergistic exploration-exploitation enhancement by directly shaping the RL advantage function. The key innovation is leveraging the theoretically stable ERA as a predictive meta-controller to create a synergistic, dual-channel incentive structure. Instead of forcing a trade-off, VERL prospectively amplifies rewards for exploration to preempt overconfidence and reinforces exploitative gains to consolidate reasoning. Experiments across diverse LLMs and reasoning benchmarks show consistent gains, including up to 21.4% absolute accuracy improvement on the challenging Gaokao 2024 dataset.

A pervasive intuition holds that vision-language models (VLMs) are most trustworthy when their attention maps look sharp: concentrated attention on the queried region should imply a confident, calibrated answer. We test this Attention-Confidence Assumption directly. We instrument three open-weight VLM families (LLaVA-1.5, PaliGemma, Qwen2-VL; 3-7B parameters) with a unified mechanistic pipeline -- the VLM Reliability Probe (VRP) -- that compares attention structure, generation dynamics, and hidden-state geometry against a single correctness label. Three results emerge. (i) Attention structure is a near-zero predictor of correctness (R_pb(C_k,y)=0.001, 95% CI [-0.034,0.036]; R_pb(H_s,y)=-0.012, [-0.047,0.024] on a pooled n=3,090 split), even though attention remains causally necessary for feature extraction (top-30% patch masking drops accuracy by 8.2-11.3 pp, p<0.001). (ii) Reliability becomes legible later in the computation: a single hidden-state linear probe reaches AUROC>0.95 on POPE for two of three families, and self-consistency at K=10 is the strongest behavioral predictor we measure at 10x inference cost (R_pb=0.43). (iii) Causal neuron-level ablations expose a sharp architectural split with direct monitor-design implications: late-fusion LLaVA concentrates reliability in a fragile late bottleneck (-8.3 pp object-identification accuracy after top-5 probe-neuron ablation), whereas early-fusion PaliGemma and Qwen2-VL distribute it widely and absorb destruction of ~50% of their peak-layer hidden dimension with <=1 pp degradation. The takeaway is narrow but consequential: in 3-7B VLMs, reliability is read more reliably off hidden-state geometry, layer-wise margin formation, and sparse late-layer circuits than off attention-map sharpness.

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable features are embedded in hidden states. Our experiments reveal high probing accuracy, indicating latent space regularities with functionally important directions. Building on this, we use the directions between hidden states with opposing features to fit control vectors. At inference, we add our control vectors to hidden states and evaluate their impact on predictions. Remarkably, such modifications preserve the feasibility of predictions. We further refine our control vectors using sparse autoencoders (SAEs). This leads to more linear changes in predictions when scaling control vectors. Our approach enables mechanistic interpretation as well as zero-shot generalization to unseen dataset characteristics with negligible computational overhead.

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.

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.

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-your-own coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.

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.

Knowledge about the hidden factors that determine particular system dynamics is crucial for both explaining them and pursuing goal-directed interventions. Inferring these factors from time series data without supervision remains an open challenge. Here, we focus on spatiotemporal processes, including wave propagation and weather dynamics, for which we assume that universal causes (e.g. physics) apply throughout space and time. A recently introduced DIstributed SpatioTemporal graph Artificial Neural network Architecture (DISTANA) is used and enhanced to learn such processes, requiring fewer parameters and achieving significantly more accurate predictions compared to temporal convolutional neural networks and other related approaches. We show that DISTANA, when combined with a retrospective latent state inference principle called active tuning, can reliably derive location-respective hidden causal factors. In a current weather prediction benchmark, DISTANA infers our planet's land-sea mask solely by observing temperature dynamics and, meanwhile, uses the self inferred information to improve its own future temperature predictions.

The Information Bottleneck (IB) principle offers an information-theoretic framework for analyzing the training process of deep neural networks (DNNs). Its essence lies in tracking the dynamics of two mutual information (MI) values: one between the hidden layer and the class label, and the other between the hidden layer and the DNN input. According to the hypothesis put forth by Shwartz-Ziv and Tishby (2017), the training process consists of two distinct phases: fitting and compression. The latter phase is believed to account for the good generalization performance exhibited by DNNs. Due to the challenging nature of estimating MI between high-dimensional random vectors, this hypothesis has only been verified for toy NNs or specific types of NNs, such as quantized NNs and dropout NNs. In this paper, we introduce a comprehensive framework for conducting IB analysis of general NNs. Our approach leverages the stochastic NN method proposed by Goldfeld et al. (2019) and incorporates a compression step to overcome the obstacles associated with high dimensionality. In other words, we estimate the MI between the compressed representations of high-dimensional random vectors. The proposed method is supported by both theoretical and practical justifications. Notably, we demonstrate the accuracy of our estimator through synthetic experiments featuring predefined MI values. Finally, we perform IB analysis on a close-to-real-scale convolutional DNN, which reveals new features of the MI dynamics.

We introduce WARP (Weight-space Adaptive Recurrent Prediction), a simple yet powerful model that unifies weight-space learning with linear recurrence to redefine sequence modeling. Unlike conventional recurrent neural networks (RNNs) which collapse temporal dynamics into fixed-dimensional hidden states, WARP explicitly parametrizes its hidden state as the weights and biases of a distinct auxiliary neural network, and uses input differences to drive its recurrence. This brain-inspired formulation enables efficient gradient-free adaptation of the auxiliary network at test-time, in-context learning abilities, and seamless integration of domain-specific physical priors. Empirical validation shows that WARP matches or surpasses state-of-the-art baselines on diverse classification tasks, featuring in the top three in 5 out of 6 real-world challenging datasets. Furthermore, extensive experiments across sequential image completion, multivariate time series forecasting, and dynamical system reconstruction demonstrate its expressiveness and generalisation capabilities. Remarkably, a physics-informed variant of our model outperforms the next best model by more than 10x. Ablation studies confirm the architectural necessity of key components, solidifying weight-space linear RNNs as a transformative paradigm for adaptive machine intelligence.

Sea ice is governed by highly complex, scale-invariant, and anisotropic processes that are challenging to represent in Earth system models. While advanced numerical models have improved our understanding of the sea-ice dynamics, their computational costs often limit their application in ensemble forecasting and climate simulations. Here, we introduce GenSIM, the first generative AI-based pan-Arctic model that predicts the evolution of all relevant key properties, including concentration, thickness, and drift, in a 12-hour window with improved accuracy over deterministic predictions and high computational efficiency, while remaining physically consistent. Trained on a long simulation from a state-of-the-art sea-ice--ocean system, GenSIM robustly reproduces statistics as observed in numerical models and observations, exhibiting brittle-like short-term dynamics while also depicting the long-term sea-ice decline. Driven solely by atmospheric forcings, we attribute GenSIM's emergent extrapolation capabilities to patterns that reflect the long-term impact of the ocean: it seemingly has learned an internal ocean emulator. This ability to infer slowly evolving climate-relevant dynamics from short-term predictions underlines the large potential of generative models to generalise for unseen climates and to encode hidden physics.

We prove rich algebraic structures of the solution space for 2-layer neural networks with quadratic activation and L_2 loss, trained on reasoning tasks in Abelian group (e.g., modular addition). Such a rich structure enables analytical construction of global optimal solutions from partial solutions that only satisfy part of the loss, despite its high nonlinearity. We coin the framework as CoGO (Composing Global Optimizers). Specifically, we show that the weight space over different numbers of hidden nodes of the 2-layer network is equipped with a semi-ring algebraic structure, and the loss function to be optimized consists of monomial potentials, which are ring homomorphism, allowing partial solutions to be composed into global ones by ring addition and multiplication. Our experiments show that around 95% of the solutions obtained by gradient descent match exactly our theoretical constructions. Although the global optimizers constructed only required a small number of hidden nodes, our analysis on gradient dynamics shows that over-parameterization asymptotically decouples training dynamics and is beneficial. We further show that training dynamics favors simpler solutions under weight decay, and thus high-order global optimizers such as perfect memorization are unfavorable.

Large Language Models (LLMs) show strong generalization across diverse tasks, yet the internal decision-making processes behind their predictions remain opaque. In this work, we study the geometry of hidden representations in LLMs through the lens of intrinsic dimension (ID), focusing specifically on decision-making dynamics in a multiple-choice question answering (MCQA) setting. We perform a large-scale study, with 28 open-weight transformer models and estimate ID across layers using multiple estimators, while also quantifying per-layer performance on MCQA tasks. Our findings reveal a consistent ID pattern across models: early layers operate on low-dimensional manifolds, middle layers expand this space, and later layers compress it again, converging to decision-relevant representations. Together, these results suggest LLMs implicitly learn to project linguistic inputs onto structured, low-dimensional manifolds aligned with task-specific decisions, providing new geometric insights into how generalization and reasoning emerge in language models.

Speculative decoding accelerates LLM inference by drafting future tokens with a small model, but drafter models degrade sharply under template perturbation and long-context inputs. We identify a previously-unreported phenomenon we call attention drift: as the drafter generates successive tokens within a speculation chain, attention progressively moves from the prompt onto its own recently-generated tokens. We observe this across both EAGLE3 drafters and MTP heads, suggesting drift is a property of drafter designs. We trace this to the un-normalized residual path between chain steps: the drafter's hidden state magnitude grows monotonically with chain depth, which exhibits dynamics consistent with additional pre-norm transformer layers stacked on the target rather than as a standalone autoregressive predictor. In order to limit the growth, we propose two architectural changes: Post-norm on the drafter hidden states and per-hidden-state RMSNorm after capturing target hidden states. Our interventions improve acceptance length over the current leading model, pre-norm EAGLE3, by up to 2times under template perturbation, 1.18times on long-context tasks, and 1.10times on seven standard benchmarks spanning multi-turn chat, math, and coding. Our changes also allow shorter train-time-test depths to generalize over longer drafting sequences.

Activation steering offers a lightweight approach to control language models' behavior at inference time, but whether it succeeds or fails heavily depends on the prompt, concept, model, and steering configuration. Finding the regime and boundaries of successful steering typically requires expensive grid searches and post-hoc evaluation of full autoregressive rollouts. In this work, we investigate whether steerability can be predicted from the model's internal states at the beginning of the generation process, e.g., after generating the first few tokens, and how to leverage such a predictor to improve steering success rate. To this end, we first introduce ASTEER, a testbed including 1.4M steered generations, spanning 150 concepts with each steering success/failure labeled. Leveraging this testbed, we analyze the model's early decoding dynamics by extracting features that compare hidden states before and after steering across layers and initial decoding steps. These features help us understand how steering's effects propagate along layers and token positions, which provide key information for steerability prediction. We then train a Gradient Boosting Decision Trees (GBDT) classifier on these features to predict whether an intervention will under-steer, succeed, or over-steer without requiring full rollout. Our predictor achieves around 0.7 macro-F1 score on unseen concepts, demonstrating that early hidden states encode substantial, structured information about eventual steering efficacy. We further leverage this steerability predictor as guidance for steering strength searching, achieving near-optimal performance with a small fraction of decoding cost.

Large language models (LLMs) frequently achieve impressive scores on standardized benchmarks, yet accuracy alone offers a limited view of their capabilities. Evaluating open-source LLMs through leaderboards faces persistent issues like data contamination, narrow task scope, and weak alignment with real-world reliability. Benchmark-based evaluations such as MMLU PRO, BBH, or IFEval primarily capture what a model outputs on fixed test sets, not how it processes information, calibrates uncertainty, or structures internal knowledge. In this article, we advocate for a shift from benchmark-centric evaluation toward a complementary, state-centered intrinsic assessment of LLMs. To this end, we introduce Latent Performance Profiling (LPP) -- a framework that derives task-agnostic diagnostics from hidden activations and output distributions. LPP defines a set of scalar metrics on a model's latent representations and dynamics, revealing scale-independent traits that enable interpretable comparisons and uncover hidden vulnerabilities. Unlike static accuracy scores, LPP provides stable, architecture-sensitive signatures across models of similar size. With extensive empirical analyses across eight LLMs, spanning a size range of 0.5B-14B, we demonstrate that models with similar benchmark scores can exhibit contrasting latent profiles, such as differences in entropy or adaptability. Guided by these insights, we design synthetic probes for uncertainty and symbolic reasoning that align with intrinsic metrics while decoupling from leaderboard bias. We recommend that reporting LPP alongside benchmarks provides a deeper, interpretable understanding of model behavior, enabling more reliable model selection, safety assessment, and evaluation beyond surface-level accuracy.

Continual learning, the ability of a model to adapt to an ongoing sequence of tasks without forgetting earlier ones, is a central goal of artificial intelligence. To better understand its underlying mechanisms, we study the limitations of continual learning in a tractable yet representative setting. Specifically, we analyze one-hidden-layer quadratic neural networks trained by gradient descent on a sequence of XOR-cluster datasets with Gaussian noise, where different tasks correspond to clusters with orthogonal means. Our analysis is based on a tight characterization of gradient descent dynamics for the training loss, which yields explicit bounds on the rate of train-time forgetting as functions of the number of iterations, sample size, number of tasks, and hidden-layer width. We then leverage an algorithmic stability framework to bound the generalization gap, leading to corresponding guarantees on test-time forgetting. Together, our results provide the first closed-form guarantees for forgetting in continual learning with neural networks and show how key problem parameters jointly govern forgetting dynamics. Numerical experiments corroborate our theoretical results.

Auto-regressive models have emerged as powerful tools for sequential data, from language to video. Understanding how and why these models learn latent representations remains an open theoretical question. In this work, we demonstrate that when trained by empirical risk minimization on data from partially observed linear dynamical systems, two-layer linear auto-regressive models naturally learn to approximate Kalman filtering. In particular, we show that the learned hidden representation coincides, up to a similarity transformation, with the state estimates produced by the optimal (Kalman) filter, even though the model has no explicit knowledge of the underlying dynamics or state. The result follows from three main insights. First, we establish that the Kalman filter is well approximated by an auto-regressive model with bounded truncation error. Second, we show that despite non-convexity, the two-layer optimization landscape is benign, i.e., all stationary points are either strict saddles or global minima. Finally, as our main contributions, we provide finite-sample guarantees on prediction error, parameter estimation error, and latent state recovery. Numerical simulations support the theoretical results and demonstrate that the latent representations of auto-regressive models recover state estimates.

Classifying the topology of closed curves is a central problem in low dimensional topology with applications beyond mathematics spanning protein folding, polymer physics and even magnetohydrodynamics. The central problem is how to determine whether two embeddings of a closed arc are equivalent under ambient isotopy. Given the striking ability of neural networks to solve complex classification tasks, it is therefore natural to ask if the knot classification problem can be tackled using Machine Learning (ML). In this paper, we investigate generic shortcut methods employed by ML to solve the knot classification challenge and specifically discover hidden non-topological features in training data generated through Molecular Dynamics simulations of polygonal knots that are used by ML to arrive to positive classifications results. We then provide a rigorous foundation for future attempts to tackle the knot classification challenge using ML by developing a publicly-available (i) dataset, that aims to remove the potential of non-topological feature classification and (ii) code, that can generate knot embeddings that faithfully explore chosen geometric state space with fixed knot topology. We expect that our work will accelerate the development of ML models that can solve complex geometric knot classification challenges.

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.

The partial observability and stochasticity in multi-agent settings can be mitigated by accessing more information about others via communication. However, the coordination problem still exists since agents cannot communicate actual actions with each other at the same time due to the circular dependencies. In this paper, we propose a novel multi-level communication scheme, Sequential Communication (SeqComm). SeqComm treats agents asynchronously (the upper-level agents make decisions before the lower-level ones) and has two communication phases. In the negotiation phase, agents determine the priority of decision-making by communicating hidden states of observations and comparing the value of intention, obtained by modeling the environment dynamics. In the launching phase, the upper-level agents take the lead in making decisions and then communicate their actions with the lower-level agents. Theoretically, we prove the policies learned by SeqComm are guaranteed to improve monotonically and converge. Empirically, we show that SeqComm outperforms existing methods in various cooperative multi-agent tasks.

Theory of Mind (ToM), the ability to infer other's beliefs, intentions, and states of knowledge, is central to social interaction, yet remains challenging for current Multimodal Large Language Models (MLLMs), especially in multi-party meetings where cues are distributed across speech and behavior. Existing multimodal ToM benchmarks mainly focus on video-grounded question answering over overt, externally verifiable signals, and provide limited coverage of latent social states and group dynamics. We introduce MeetingToM, a benchmark for complex social behavior reasoning in naturalistic multi-party meetings. MeetingToM targets meeting-specific phenomena such as pseudo-consensus, where apparent agreement masks private dissent under social pressure. The benchmark is hierarchically organized to evaluate ToM at increasing levels of social granularity, including (i) subject-level mental state prediction, (ii) dyadic-level addressee understanding, and (iii) group-level consensus reasoning. We provide a unified evaluation protocol and conduct systematic analyses of representative MLLMs, revealing persistent limitations in integrating non-verbal cues, inferring hidden attitudes, and distinguishing genuine consensus from pseudo-consensus. Our results highlight key challenges and establish MeetingToM as a testbed for advancing meeting-grounded ToM in multimodal models.

Autoregressive (AR) video models excel at causal generation, but their reliance on next-chunk prediction confines them to a short-sighted, reactive paradigm. This limitation is particularly consequential for reasoning-oriented generation, where achieving a target outcome through valid intermediate states matters more than local visual plausibility. To address this challenge, we propose Learning Prospective Reasoning with Autoregressive Video Models (ProAR), a novel framework that transforms autoregressive video generation into a goal-oriented reasoning process. ProAR introduces two key components: (1) To anchor generation to the long-range outcome, we integrate goal-frame prediction into the autoregressive loop via an asymmetric attention mask, enabling the predicted goal frame to guide the generation of intermediate states without being disrupted by them. (2) To guide short-range transitions, we introduce future representation self-alignment to encourage current hidden states to anticipate upcoming temporal dynamics. By leveraging teacher-forcing in AR training, we extract clean future representations in a single forward pass and align current representations with them using a lightweight, training-only predictor. Together, these two mechanisms seamlessly combine explicit, sparse target supervision with implicit, dense step-wise guidance, promoting coherent, goal-directed reasoning progress with modest computational cost. Experiments show that ProAR's complementary components consistently improve performance across diverse visual reasoning benchmarks. The framework proves highly training-efficient, surpassing fully trained standard AR baselines using only 25% of the training steps. This paradigm also demonstrates promising applicability to embodied reasoning tasks.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.

Looped computation shows promise in improving the reasoning-oriented performance of LLMs by scaling test-time compute. However, existing approaches typically require either training recurrent models from scratch or applying disruptive retrofits, which involve substantial computational costs and may compromise pretrained capabilities. To address these limitations, we introduce Looped Depth Up-Scaling (LoopUS), a post-training framework that converts a standard pretrained LLM into a looped architecture. As a key technical contribution, LoopUS recasts the pretrained LLM into an encoder, a looped reasoning block, and a decoder. It operationalizes this latent-refinement architecture through four core components: (1) block decomposition, guided by staged representation dynamics; (2) an input-dependent selective gate to mitigate hidden-state drift; (3) random deep supervision for memory-efficient learning over long recursive horizons; and (4) a confidence head for adaptive early exiting. Collectively, these mechanisms transform a standard non-looped model into a looped form while stabilizing it against both computational bottlenecks and representation collapse. Through stable latent looping, LoopUS improves reasoning-oriented performance without extending the generated traces or requiring recurrent training from scratch. For more details, see https://thrillcrazyer.github.io/LoopUS

The second-order Kuramoto model captures rotor dynamics relevant to synchronization in power grids. In actual power grids, violation of angle-stability limits can trigger protective actions that are not included in the model, restricting its validity to trajectories that remain within these limits. We therefore define the secured basin as the region of disturbance space comprising disturbances whose trajectories remain within the angle-stability limits throughout the transient. We then characterize the secured basin through energy barriers, quantifying their characteristic energy scale and heterogeneity across perturbation directions. Across seven power-grid models, this characterization revealed angle-stability vulnerabilities overlooked when stability is assessed solely by the final synchronization state. It also showed that the two energy-barrier measures characterizing the secured basin exhibit distinct associations with structural connectivity and dynamical parameters. This characterization further offers practical advantages, as energy thresholds derived from state-space perturbations remain effective in distinguishing secured and unsecured outcomes under short-duration power disturbances and can be estimated efficiently by concentrating simulations near the secured-basin boundary. Overall, the secured-basin framework provides a useful basis for distinguishing node-level structural and dynamical influences on transient stability in oscillator networks with synchronization constraints.

Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing (β_c) that, compared to the network's current state (β), yields a dynamic ratio β(t)/β_c(t): a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence, β/β_c provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.

Autoregressive models are trained to predict a system's behavior one step at a time, and recursive generation allows the learned dynamics to unfold over long horizons. To what extent can such dynamics learned from local observations recover broader organization of an underlying system that was only partially observed during training? Here we study small autoregressive transformers trained from scratch on trajectories sampled from restricted parameter regimes of several non-linear dynamical systems, including logistic and sine maps, the Lorenz system, and the generalized Hopf system, with control parameters and state trajectories represented as sequences of continuous tokens. Under closed-loop evaluation at parameters far outside the training distribution, the models can recover self-similar period-doubling cascades, chaotic dynamics, and attractor structures with remarkable visual and numerical fidelity. For the logistic map, a transformer reproduces successive period doublings up to period 128, yielding a finite-order scaling ratio of 4.6687, matching the Feigenbaum constant to within 5times10^{-4}. We further investigate how these structures emerge over the course of training, and reveal with causal interventions how control-parameter information is processed through attention into state prediction and shapes the resulting closed-loop dynamics. These results suggest that a surprisingly narrow window into a system's local behavior may suffice for autoregressive transformers to generalize to its unseen global dynamical organization.

Modeling of conservative systems with neural networks is an area of active research. A popular approach is to use Hamiltonian neural networks (HNNs) which rely on the assumptions that a conservative system is described with Hamilton's equations of motion. Many recent works focus on improving the integration schemes used when training HNNs. In this work, we propose to enhance HNNs with an estimation of a continuous-time trajectory of the modeled system using an additional neural network, called a deep hidden physics model in the literature. We demonstrate that the proposed integration scheme works well for HNNs, especially with low sampling rates, noisy and irregular observations.

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

The role of hidden units in recurrent neural networks is typically seen as modeling memory, with research focusing on enhancing information retention through gating mechanisms. A less explored perspective views hidden units as active participants in the computation performed by the network, rather than passive memory stores. In this work, we revisit bi-linear operations, which involve multiplicative interactions between hidden units and input embeddings. We demonstrate theoretically and empirically that they constitute a natural inductive bias for representing the evolution of hidden states in state tracking tasks. These are the simplest type of task that require hidden units to actively contribute to the behavior of the network. We also show that bi-linear state updates form a natural hierarchy corresponding to state tracking tasks of increasing complexity, with popular linear recurrent networks such as Mamba residing at the lowest-complexity center of that hierarchy.

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

We provide an optimization-based framework to perform counterfactual analysis in a dynamic model with hidden states. Our framework is grounded in the ``abduction, action, and prediction'' approach to answer counterfactual queries and handles two key challenges where (1) the states are hidden and (2) the model is dynamic. Recognizing the lack of knowledge on the underlying causal mechanism and the possibility of infinitely many such mechanisms, we optimize over this space and compute upper and lower bounds on the counterfactual quantity of interest. Our work brings together ideas from causality, state-space models, simulation, and optimization, and we apply it on a breast cancer case study. To the best of our knowledge, we are the first to compute lower and upper bounds on a counterfactual query in a dynamic latent-state model.

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based simulation models described by ODEs/PDEs remain interpretable, but may have missing or unknown terms, unable to fully describe real-world observations. We bridge this gap with a novel grey-box method that integrates incomplete physics models directly into generative models. Our approach learns dynamics from observational trajectories alone, without ground-truth physics parameters, in a simulation-free manner that avoids scalability and stability issues of Neural ODEs. The core of our method lies in modelling a structured variational distribution within the flow matching framework, by using two latent encodings: one to model the missing stochasticity and multi-modal velocity, and a second to encode physics parameters as a latent variable with a physics-informed prior. Furthermore, we present an adaptation of the framework to handle second-order dynamics. Our experiments on representative ODE/PDE problems show that our method performs on par with or superior to fully data-driven approaches and previous grey-box baselines, while preserving the interpretability of the physics model. Our code is available at https://github.com/DMML-Geneva/VGB-DM.

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

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.

Learning from demonstrations (LfD) provides a framework for inferring unknown constraints from locally optimal, constraint-satisfying expert behavior. Existing approaches largely fall into two paradigms, constrained inverse optimal control (CIOC) and inverse constrained reinforcement learning (ICRL). CIOC exploits optimality conditions such as the Karush--Kuhn--Tucker (KKT) conditions but typically assumes known dynamics and structured constraint representations. Meanwhile, ICRL accommodates complex unknown constraints and unknown transition dynamics but often requires extensive online exploration, during which unsafe constraint violations may occur. In this work, we introduce Counterfactual KKT (CF-KKT), a constraint learning framework that leverages learned dynamics and locally optimal demonstrations to recover unknown constraints without requiring known dynamics or additional risky exploration, thereby combining the data efficiency and safety advantages of CIOC with the flexibility of ICRL. First, we use a locally learned differentiable dynamics model to impose KKT-inspired optimality conditions directly on the demonstrations. Second, we use the learned dynamics to generate reward-improving counterfactual behaviors near the demonstrations, revealing behaviors that would be preferable in the absence of the unknown constraint and thus providing synthetic infeasible data. When the constraint parameterization is known, the same learned-dynamics framework enables direct CIOC-based parameter recovery, and we characterize its sensitivity to dynamics misspecification. Across high-dimensional robotic control tasks, our approach learns neural constraint representations with improved safety and data efficiency relative to state-of-the-art offline ICRL baselines.

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.

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.

A fundamental challenge in the cognitive sciences is discovering the dynamics that govern behaviour. Take the example of spoken language, which is characterised by a highly variable and complex set of physical movements that map onto the small set of cognitive units that comprise language. What are the fundamental dynamical principles behind the movements that structure speech production? In this study, we discover models in the form of symbolic equations that govern articulatory gestures during speech. A sparse symbolic regression algorithm is used to discover models from kinematic data on the tongue and lips. We explore these candidate models using analytical techniques and numerical simulations, and find that a second-order linear model achieves high levels of accuracy, but a nonlinear force is required to properly model articulatory dynamics in approximately one third of cases. This supports the proposal that an autonomous, nonlinear, second-order differential equation is a viable dynamical law for articulatory gestures in speech. We conclude by identifying future opportunities and obstacles in data-driven model discovery and outline prospects for discovering the dynamical principles that govern language, brain and behaviour.

The success of deep neural nets heavily relies on their ability to encode complex relations between their input and their output. While this property serves to fit the training data well, it also obscures the mechanism that drives prediction. This study aims to reveal hidden concepts by employing an intervention mechanism that shifts the predicted class based on discrete variational autoencoders. An explanatory model then visualizes the encoded information from any hidden layer and its corresponding intervened representation. By the assessment of differences between the original representation and the intervened representation, one can determine the concepts that can alter the class, hence providing interpretability. We demonstrate the effectiveness of our approach on CelebA, where we show various visualizations for bias in the data and suggest different interventions to reveal and change bias.

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is grounded in a faithful recovered causal mechanism. Each episode places an agent in a synthetic laboratory: it receives prior measurement records, intervenes on a manipulator crystal, and predicts the resonance frequency of a held-out reactor crystal governed by the same mechanism. The hidden data-generating process is a randomly sampled structural causal model (SCM), so success requires recovering both a causal graph and structural equations rather than recalling prior knowledge. Experiments show a persistent gap between prediction and mechanism recovery: in the purely observational 6-node setting, GPT-5.2-high reaches 92% task accuracy but only 0.471 all-edge F_1. Mixed observation-intervention strategies improve structural fidelity, while pure intervention remains difficult even for strong agents. We identify premature stopping as a major weakness and show that consistency verification mitigates it. CausaLab therefore separates predictive success from causal understanding and exposes current LLM agents' limits as experimental causal reasoners.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

Recent advances in video generation have achieved impressive visual quality, yet they often fail to produce physically consistent dynamics due to the lack of explicit modeling of underlying physical processes. Existing approaches either rely on simulators with strong assumptions or use coarse semantic guidance, and further struggle to effectively inject physical priors into generation models. In this work, we propose Seeing the Unseen, a unified framework for physics-grounded video generation. Our approach decomposes the problem into two stages: learning physical dynamics and injecting them into video synthesis. First, we introduce a lightweight Particle-based Graph Dynamics Simulator (PGDS) that learns generalizable physical interactions from data and predicts plausible 3D motion trajectories. Second, we propose a Visible--Invisible Motion Field (VIMF) that captures both motion observable in the input frame and motion that emerges over time due to object dynamics. This representation enables more complete and structured motion guidance compared to conventional physical signals. By integrating these trajectories into a diffusion-based generator, our method produces videos that are both visually coherent and physically consistent. Extensive experiments demonstrate improved motion accuracy, interaction consistency, and reduced physical artifacts compared to strong baselines.

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.

The ability to understand physical dynamics is critical for agents to act in the world. Here, we use Counterfactual World Modeling (CWM) to extract vision structures for dynamics understanding. CWM uses a temporally-factored masking policy for masked prediction of video data without annotations. This policy enables highly effective "counterfactual prompting" of the predictor, allowing a spectrum of visual structures to be extracted from a single pre-trained predictor without finetuning on annotated datasets. We demonstrate that these structures are useful for physical dynamics understanding, allowing CWM to achieve the state-of-the-art performance on the Physion benchmark.

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.

We present a concise dynamical picture of infant-driven household chaos. The framework has three postulations: recurrent daily chaos, overall entropy growth in household organization, and transient local ordering episodes with switching rules (a volatile Maxwell-demon effect). We illustrate entropy growth with a two-region toy model (organizer vs. play area), where entropy production is nonnegative and long-time behavior is typically play-area dominated. We also model toy diffusion and curiosity-driven behavior, where novelty matters more than punishment in the short term, while gradual learning still occurs.

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.

World models aim to capture environmental dynamics and predict future trajectories, showing growing potential for embodied intelligence. Physics-informed 4D generation integrates physical simulation to predict 3D object interactions, offering a promising pathway toward world models. However, this paradigm relies on manually imposed dynamical assumptions rather than internalizing world dynamics, and thus still leaves a gap toward a true world model. To bridge this gap, we propose NeuIDO, a novel world dynamics modeling framework that learns a unified intrinsic dynamics representation from visual observations, advancing physics-informed 4D generation toward a world model. Specifically, we formulate world modeling as a neural operator learning problem and introduce a two-stage training strategy to learn a generalizable mapping from the visual observation distribution to the intrinsic dynamics distribution. Building on this observation-dynamics mapping, NeuIDO enables zero-shot dynamics inference directly from videos and can be further aligned with complex real-world dynamics via few-shot adaptation. Extensive experiments demonstrate that NeuIDO effectively unifies the intrinsic dynamics underlying diverse visual observations into a shared representation and rapidly infers dynamics in novel scenes.

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.

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

Learning control from action-free recordings is challenging because intervention effects are unobserved and policies may exploit errors in reconstructed dynamics. We present a hierarchical model-based reinforcement learning framework that uses shared structure across related systems to learn system-specific control policies from action-free recordings. A hierarchical dynamical system reconstruction model captures shared dynamics and individual variation through low-dimensional embeddings. These embeddings are then reused to parameterize shared policy and value networks, linking differences in reconstructed dynamics to differences in control. Policies are trained entirely via simulation under an explicit intervention model with additive latent perturbations. Piecewise-linear recurrent neural networks enable mechanistic analyses of the controlled dynamics, while decoder-based constraints make the immediate effects of interventions interpretable in observation space and permit interventions on one modality while protecting another from direct manipulation. On Lorenz-63 and double-pendulum systems, hierarchical policies improve transfer over independently trained policies. On Lorenz-63, they also achieve a higher mean reward than repeated planning with the same reconstructed models, perform comparably to methods trained with controlled interactions, and generalize to systems absent from policy training after embedding inference alone. Applications to neural-behavioral recordings demonstrate suppression of predicted movement under constrained neural perturbations. Together, these findings show how shared dynamical representations support transferable control and mechanistic hypothesis generation from action-free recordings.

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we evaluate how such a paradigm should be done in imitation learning, where both pretraining and finetuning data are trajectories collected by experts interacting with an unknown environment. Namely, we consider a setting where the pretraining corpus consists of multitask demonstrations and the task for each demonstration is set by an unobserved latent context variable. The goal is to use the pretraining corpus to learn a low dimensional representation of the high dimensional (e.g., visual) observation space which can be transferred to a novel context for finetuning on a limited dataset of demonstrations. Among a variety of possible pretraining objectives, we argue that inverse dynamics modeling -- i.e., predicting an action given the observations appearing before and after it in the demonstration -- is well-suited to this setting. We provide empirical evidence of this claim through evaluations on a variety of simulated visuomotor manipulation problems. While previous work has attempted various theoretical explanations regarding the benefit of inverse dynamics modeling, we find that these arguments are insufficient to explain the empirical advantages often observed in our settings, and so we derive a novel analysis using a simple but general environment model.

Discovering the underlying physical behavior of complex systems is a crucial, but less well-understood topic in many engineering disciplines. This study proposes a finite-difference inspired convolutional neural network framework to learn hidden partial differential equations from given data and iteratively estimate future dynamical behavior. The methodology designs the filter sizes such that they mimic the finite difference between the neighboring points. By learning the governing equation, the network predicts the future evolution of the solution by using only a few trainable parameters. In this paper, we provide numerical results to compare the efficiency of the second-order Trust-Region Conjugate Gradient (TRCG) method with the first-order ADAM optimizer.

Modeling dynamical systems and unraveling their underlying structural dependencies is central to many domains in the natural sciences. Various physical systems, such as those arising in cell biology, are inherently high-dimensional and stochastic in nature, and admit only partial, noisy state measurements. Our primary motivating setting is single-cell biology, where destructive measurements yield unpaired population snapshots rather than longitudinal trajectories of the same cells. This poses a significant challenge for addressing the problems of modeling the underlying dynamics and inferring the network structure of these systems. Existing methods are typically tailored either for structure learning or modeling dynamics at the population level, but are limited in their ability to address both problems together. In this work, we address both problems simultaneously: we present StructureFlow, a novel and principled simulation-free training approach for jointly learning the structure and stochastic population dynamics of physical systems. We showcase the utility of StructureFlow for the tasks of structure learning from interventions and dynamical (trajectory) inference of conditional population dynamics. We empirically evaluate our approach on high-dimensional synthetic systems, a set of biologically plausible simulated systems, and an experimental single-cell dataset. We show that StructureFlow can learn the structure of underlying systems while simultaneously modeling their conditional population dynamics --- a key step toward model-based mechanistic understanding of systems behavior.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

Joint Embedding Predictive Architectures (JEPAs) are a promising paradigm for learning task-agnostic latent world models without visual reconstruction. However, standard JEPA training exhibits a strong inductive bias towards slow features, causing feature suppression and the collapse of latent representation. While inverse dynamics provides temporal anti-collapse, it relies on action labels and offers little incentive to embed general, unlabeled dynamics. We introduce Difference Image and Single image embedding Regularization (DISReg), a novel regularizer that builds on an inverse-dynamics-style module that predicts temporal difference image embeddings without any pixel reconstruction loss, encouraging balanced static and dynamic feature learning. DISReg consists of a static term that shapes the distribution of the image embedding and encourages slow features, and a dynamic term, which, unlike direct regularization on the embedding, imposes no constraint on the image embedding's shape or distribution and instead only incentivizes that dynamic features be present. By integrating this regularizer into a standard JEPA, we establish our new architecture, MotionJEPA. Latent probing demonstrates that MotionJEPA produces more complete representations than other methods, and our trajectory analysis shows it maintains geometrically simple latent embeddings with low curvature. We further show that MotionJEPA improves downstream planning success under static-background distractors across four environments.

The symbolic discovery of Ordinary Differential Equations (ODEs) from trajectory data plays a pivotal role in AI-driven scientific discovery. Existing symbolic methods predominantly rely on fixed, pre-collected training datasets, which often result in suboptimal performance, as demonstrated in our case study in Figure 1. Drawing inspiration from active learning, we investigate strategies to query informative trajectory data that can enhance the evaluation of predicted ODEs. However, the butterfly effect in dynamical systems reveals that small variations in initial conditions can lead to drastically different trajectories, necessitating the storage of vast quantities of trajectory data using conventional active learning. To address this, we introduce Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait Sketching (APPS). Instead of directly selecting individual initial conditions, our APPS first identifies an informative region within the phase space and then samples a batch of initial conditions from this region. Compared to traditional active learning methods, APPS mitigates the gap of maintaining a large amount of data. Extensive experiments demonstrate that APPS consistently discovers more accurate ODE expressions than baseline methods using passively collected datasets.

We develop data-driven methods incorporating geometric and topological information to learn parsimonious representations of nonlinear dynamics from observations. The approaches learn nonlinear state-space models of the dynamics for general manifold latent spaces using training strategies related to Variational Autoencoders (VAEs). Our methods are referred to as Geometric Dynamic (GD) Variational Autoencoders (GD-VAEs). We learn encoders and decoders for the system states and evolution based on deep neural network architectures that include general Multilayer Perceptrons (MLPs), Convolutional Neural Networks (CNNs), and other architectures. Motivated by problems arising in parameterized PDEs and physics, we investigate the performance of our methods on tasks for learning reduced dimensional representations of the nonlinear Burgers Equations, Constrained Mechanical Systems, and spatial fields of Reaction-Diffusion Systems. GD-VAEs provide methods that can be used to obtain representations in manifold latent spaces for diverse learning tasks involving dynamics.

We propose the Automatic-differentiated Physics-Informed Echo State Network (API-ESN). The network is constrained by the physical equations through the reservoir's exact time-derivative, which is computed by automatic differentiation. As compared to the original Physics-Informed Echo State Network, the accuracy of the time-derivative is increased by up to seven orders of magnitude. This increased accuracy is key in chaotic dynamical systems, where errors grows exponentially in time. The network is showcased in the reconstruction of unmeasured (hidden) states of a chaotic system. The API-ESN eliminates a source of error, which is present in existing physics-informed echo state networks, in the computation of the time-derivative. This opens up new possibilities for an accurate reconstruction of chaotic dynamical states.