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Nov 4

Learning fast, accurate, and stable closures of a kinetic theory of an active fluid

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

  • 3 authors
·
Aug 12, 2023

Predictive Closure: A Set-Level Characterization of JEPA's Feature Selection

In joint-embedding predictive architectures (JEPA), an encoder and a predictor are trained together to produce a representation that minimizes the error in predicting the representation of the next observation. Because the representations of both the current and the next observation are learned, it is unclear which features they will include. Earlier characterizations describe the features JEPA selects in terms of their individual predictability, raising the concern that unpredictable features, like a traffic light, will not be encoded into the representation. However, the prediction error is also affected by the relationships between features, e.g., the light's color helps predict whether the traffic will stop. We propose the predictive closure characterization, which accounts for these relationships. Based on a reformulation of the JEPA training objective, we show that selection depends on properties of feature sets. This view agrees with earlier works when features evolve independently, but makes new predictions when they do not, for instance that a feature like the traffic light can still be retained. We test this characterization in controlled experiments, which show that unpredictable features can become better represented when they help predict other features, and that changing one feature's predictive relationships can affect how well others are represented. We also demonstrate implications for steering feature selection: targeting one feature with an auxiliary objective, or supplying it to the predictor as side information, can strengthen the representation of another feature whose future values it helps predict, so steering can be indirect.

Done, But Not Sure: Disentangling World Completion from Self-Termination in Embodied Agents

Standard embodied evaluations do not independently score whether an agent correctly commits to task completion at episode closure, a capacity we call terminal commitment. Behaviorally distinct failures--never completing the task, completing it but failing to stop, and reporting success without sufficient evidence--collapse into the same benchmark failure. We introduce VIGIL, an evaluation framework that makes terminal commitment independently measurable. Under VIGIL's default protocol, agents observe only egocentric RGB, receive no action-success signals, and must end each episode with a semantic report checked deterministically against hidden world state. This yields two separate scores: world-state completion (W) and benchmark success (B), where B additionally requires a correct terminal report. This decoupling makes four outcome categories distinguishable: missed execution, post-attainment drift, unsupported commitment, and verified success. Across 20 models on 1,000 frozen episodes, systems with comparable W differ by up to 19.7 pp in B: one model converts achieved states into correct reports, while another with near-identical execution drifts past the goal without closing. An action-feedback intervention further tests the separation: execution-oriented signals improve W broadly, yet commitment failures persist in models that do not already ground terminal reports in the achieved state. VIGIL provides a protocol that makes terminal commitment independently visible and scorable.

  • 7 authors
·
Jun 1

Linear equivalence of nonlinear recurrent neural networks

Large nonlinear recurrent neural networks with random couplings generate high-dimensional, potentially chaotic activity whose structure is of interest in neuroscience and other fields. A fundamental object encoding the collective structure of this activity is the N times N covariance matrix. Prior analytical work on the covariance matrix has been limited to low-dimensional summary statistics. Recent work proposed an ansatz in which, at large N, the covariance matrix for a typical quenched realization takes the same form as that of a linear network with the same couplings, driven by independent noise, with DMFT order parameters setting the transfer function and the noise spectrum. Here, we derive this ansatz using the two-site cavity method, providing two derivations with complementary perspectives. The first decomposes each unit's activity into a linear response to its local field and a nonlinear residual, and shows that cross-covariances between residuals at distinct sites are strongly suppressed, so the residuals act as independent noise driving a linear network. The second derives a self-consistent matrix equation for the covariance matrix. A naive Gaussian closure for the joint statistics of local fields at distinct sites misses cross terms that, in a linear network, would be generated by an external drive. The cavity method recovers these terms from non-Gaussian contributions, revealing an emergent external drive. Higher-order cross-site moments follow a Wick-like decomposition into products of pairwise covariances at leading order, reducing them to the linear-equivalent form. We verify the predictions in simulations. These results extend linear equivalence from feedforward high-dimensional nonlinear systems, where the activations are independent of the weights, to recurrent networks, where the activations are correlated with the couplings that generate them.

  • 1 authors
·
May 4

Extreme Event Prediction with Multi-agent Reinforcement Learning-based Parametrization of Atmospheric and Oceanic Turbulence

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

  • 5 authors
·
Dec 1, 2023

Not Until the Evidence Says So: Teaching LLM Investigators When to Close a Case

Accident, defect and outage investigations end with a decision that ordinary question answering never faces: whether the evidence gathered so far is enough to close the case. We study this decision for LLM investigators, which request evidence from a case file, revise their hypotheses, and either close the case with a conclusion grounded in what they read or leave it open and name what is missing. This judgment does not come with capability: an untrained 9B model overstates its evidence in 97% of its answers, and a frontier model that identifies the right cause in 84% of cases still overstates in 91% and closes 17 of the 41 cases whose official finding is "cause undetermined". Measuring it is also non-trivial: the source of a case largely predicts its label, and a rule that reads only the source reaches 83.0 balanced accuracy on our test cases. We therefore evaluate closure with three tests: closure accuracy, reported against this rule and within each source; evidence dependence, which removes the grounds of a conclusion and checks whether the model stops closing; and conclusion and gap quality, a judged checklist of what the model asserts and what it says is missing. We build Nautil, 731 audited cases from aviation, rail, maritime, chemical-safety and vehicle-defect reports and production server incidents, with teacher trajectories, an out-of-distribution test set and counterfactual evidence versions. Fine-tuning a 9B model on these trajectories makes its closures follow the evidence: removing the grounds lowers its closure rate by 26 points relative to a matched control, overstatement falls from 97% to 35%, and correct, non-overstated conclusions rise from 3% to 43%. Reinforcement learning that rewards only the closure decision then raises balanced accuracy from 69.2 to 83.3, on par with the teacher, and within-source accuracy from 60.4 to 74.1, at some cost in evidence dependence.

  • 3 authors
·
Oct 1

StopLoss: Teaching Agents to Predict Failure and Stop Early

Coding agents keep working on runs that will fail verification, and asking a frontier model to watch for this is expensive in its own right. We introduce StopLoss, a small external monitor that learns failure recognition from completed trajectories and their verifier outcomes. The name is inspired by the stop-loss order in finance: StopLoss ends a run early when the run is likely to fail, which saves resources. Final outcomes label earlier local windows, so a fine-tuned language model can score the most recent tool steps in a single forward pass, and a threshold calibrated on successful runs turns that score into an abort decision without changing the executor. Trained on GPT-family SWE-rebench trajectories and evaluated on SWE-bench Verified and a SWE-bench Pro subset with GPT and Claude executors, StopLoss is compared against six general-purpose judges reading identical windows. Outcome supervision lifts failure prediction from near chance to a useful signal at the first check, at one to two orders of magnitude lower cost per check than any tested judge. This translates into savings: relative to completing every task, StopLoss lowers cost per retained solve by 4.5\% on Verified while preserving 99\% of successful runs, and by up to 31\% on the costlier Pro subset, reaching 48\% with a Qwen3-8B backbone, and in all four settings its cost per retained solve is below that of every judge policy. Outcome-trained small monitors can make failure recognition cheap enough for early stopping to pay for itself.

  • 6 authors
·
Oct 17 2

Validity conditions for moment closure approximations in stochastic chemical kinetics

Approximations based on moment-closure (MA) are commonly used to obtain estimates of the mean molecule numbers and of the variance of fluctuations in the number of molecules of chemical systems. The advantage of this approach is that it can be far less computationally expensive than exact stochastic simulations of the chemical master equation. Here we numerically study the conditions under which the MA equations yield results reflecting the true stochastic dynamics of the system. We show that for bistable and oscillatory chemical systems with deterministic initial conditions, the solution of the MA equations can be interpreted as a valid approximation to the true moments of the CME, only when the steady-state mean molecule numbers obtained from the chemical master equation fall within a certain finite range. The same validity criterion for monostable systems implies that the steady-state mean molecule numbers obtained from the chemical master equation must be above a certain threshold. For mean molecule numbers outside of this range of validity, the MA equations lead to either qualitatively wrong oscillatory dynamics or to unphysical predictions such as negative variances in the molecule numbers or multiple steady-state moments of the stationary distribution as the initial conditions are varied. Our results clarify the range of validity of the MA approach and show that pitfalls in the interpretation of the results can only be overcome through the systematic comparison of the solutions of the MA equations of a certain order with those of higher orders.

  • 3 authors
·
Jul 31, 2014

Less Quantum, More Advantage: An End-to-End Quantum Algorithm for the Jones Polynomial

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

  • 9 authors
·
Mar 7, 2025