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Jun 11

Kinodynamic RRT*: Optimal Motion Planning for Systems with Linear Differential Constraints

We present Kinodynamic RRT*, an incremental sampling-based approach for asymptotically optimal motion planning for robots with linear differential constraints. Our approach extends RRT*, which was introduced for holonomic robots (Karaman et al. 2011), by using a fixed-final-state-free-final-time controller that exactly and optimally connects any pair of states, where the cost function is expressed as a trade-off between the duration of a trajectory and the expended control effort. Our approach generalizes earlier work on extending RRT* to kinodynamic systems, as it guarantees asymptotic optimality for any system with controllable linear dynamics, in state spaces of any dimension. Our approach can be applied to non-linear dynamics as well by using their first-order Taylor approximations. In addition, we show that for the rich subclass of systems with a nilpotent dynamics matrix, closed-form solutions for optimal trajectories can be derived, which keeps the computational overhead of our algorithm compared to traditional RRT* at a minimum. We demonstrate the potential of our approach by computing asymptotically optimal trajectories in three challenging motion planning scenarios: (i) a planar robot with a 4-D state space and double integrator dynamics, (ii) an aerial vehicle with a 10-D state space and linearized quadrotor dynamics, and (iii) a car-like robot with a 5-D state space and non-linear dynamics.

  • 2 authors
·
May 22, 2012

ClimaX: A foundation model for weather and climate

Most state-of-the-art approaches for weather and climate modeling are based on physics-informed numerical models of the atmosphere. These approaches aim to model the non-linear dynamics and complex interactions between multiple variables, which are challenging to approximate. Additionally, many such numerical models are computationally intensive, especially when modeling the atmospheric phenomenon at a fine-grained spatial and temporal resolution. Recent data-driven approaches based on machine learning instead aim to directly solve a downstream forecasting or projection task by learning a data-driven functional mapping using deep neural networks. However, these networks are trained using curated and homogeneous climate datasets for specific spatiotemporal tasks, and thus lack the generality of numerical models. We develop and demonstrate ClimaX, a flexible and generalizable deep learning model for weather and climate science that can be trained using heterogeneous datasets spanning different variables, spatio-temporal coverage, and physical groundings. ClimaX extends the Transformer architecture with novel encoding and aggregation blocks that allow effective use of available compute while maintaining general utility. ClimaX is pre-trained with a self-supervised learning objective on climate datasets derived from CMIP6. The pre-trained ClimaX can then be fine-tuned to address a breadth of climate and weather tasks, including those that involve atmospheric variables and spatio-temporal scales unseen during pretraining. Compared to existing data-driven baselines, we show that this generality in ClimaX results in superior performance on benchmarks for weather forecasting and climate projections, even when pretrained at lower resolutions and compute budgets.

  • 5 authors
·
Jan 24, 2023

SNIC bifurcation and its Application to MEMS

This project focuses on a method to extract a frequency comb in mechanical means, for general interest and numerous practical applications in MEMS. The method of execution is the implementation of a beam that is exhibiting non-linear dynamics that is perturbed and analyzed for its transverse vibrations. The perturbation is an external harmonic driver with a chosen small amplitude and frequency (which is slightly detuned from the beam eigenfrequency), that when engaged with the unperturbed beam oscillations, causes it reach a state of "injection pulling" - an effect that occurs when one harmonic oscillator is coupled with a second one and causes it to oscillate in a frequency near its own. This causes the beam to reach SNIC bifurcation, rendering a frequency comb as desired. Theoretical analysis showed that the problem can be modelled using a non-linear equation of the beam, that translates to a form of the non-linear Duffing equation. While a solution to the dynamics function of the beam is hard to obtain in practice due to mathematical difficulties, a slow evolution model is suggested that is composed of functions of a amplitude and phase. Using several additional mathematical assumptions, the amplitude is seen to be related to the phase, while the phase equation solution is seen to be of the form of Adler's equation. These assumptions ultimately reduce the entire behaviour of the beam to a relatively simple solution to the Adler equation, which has a known analytical solution. Computerized numerical simulations are run on it to check the results and compare them to the theory and desired outcome. The results agreed with the theory and produce the expected frequency comb, showing the assumptions to be valid in extracting the comb.

  • 1 authors
·
Aug 24, 2025

Tracing cosmic voids with fast simulations

Context. Cosmic voids are vast underdense regions in the cosmic web that encode crucial information about structure formation, the composition of the Universe, and its expansion history. Due to their lower density, these regions are less affected by non-linear gravitational dynamics, making them suitable candidates for analysis using semi-analytic methods. Aims. We assess the accuracy of the PINOCCHIO code, a fast tool for generating dark matter halo catalogs based on Lagrangian Perturbation Theory, in modeling the statistical properties of cosmic voids. We validate this approach by comparing the resulting void statistics measured from PINOCCHIO to those obtained from N-body simulations. Methods. We generate a set of simulations using PINOCCHIO and OpenGADGET3, assuming a fiducial cosmology and varying the resolution. For a given resolution, the simulations share the same initial conditions between the different simulation codes. Snapshots are saved at multiple redshifts for each simulation and post-processed using the watershed void finder VIDE to identify cosmic voids. For each simulation code, we measure the following statistics: void size function, void ellipticity function, core density function, and the void radial density profile. We use these statistics to quantify the accuracy of PINOCCHIO relative to OpenGADGET3 in the context of cosmic voids. Results. We find agreement for all void statistics at better than 2{\sigma} between PINOCCHIO and OpenGADGET3, with no systematic difference in redshift trends. This demonstrates that the PINOCCHIO code can reliably produce void statistics with high computational efficiency compared to full N-body simulations.

  • 6 authors
·
Jun 24, 2025

High-dimensional dynamics of generalization error in neural networks

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

  • 2 authors
·
Oct 10, 2017

Understanding self-supervised Learning Dynamics without Contrastive Pairs

While contrastive approaches of self-supervised learning (SSL) learn representations by minimizing the distance between two augmented views of the same data point (positive pairs) and maximizing views from different data points (negative pairs), recent non-contrastive SSL (e.g., BYOL and SimSiam) show remarkable performance {\it without} negative pairs, with an extra learnable predictor and a stop-gradient operation. A fundamental question arises: why do these methods not collapse into trivial representations? We answer this question via a simple theoretical study and propose a novel approach, DirectPred, that directly sets the linear predictor based on the statistics of its inputs, without gradient training. On ImageNet, it performs comparably with more complex two-layer non-linear predictors that employ BatchNorm and outperforms a linear predictor by 2.5% in 300-epoch training (and 5% in 60-epoch). DirectPred is motivated by our theoretical study of the nonlinear learning dynamics of non-contrastive SSL in simple linear networks. Our study yields conceptual insights into how non-contrastive SSL methods learn, how they avoid representational collapse, and how multiple factors, like predictor networks, stop-gradients, exponential moving averages, and weight decay all come into play. Our simple theory recapitulates the results of real-world ablation studies in both STL-10 and ImageNet. Code is released https://github.com/facebookresearch/luckmatters/tree/master/ssl.

  • 3 authors
·
Feb 12, 2021 1

KETJU -- resolving small-scale supermassive black hole dynamics in GADGET-4

We present the new public version of the KETJU supermassive black hole (SMBH) dynamics module, as implemented into GADGET-4. KETJU adds a small region around each SMBH where the dynamics of the SMBHs and stellar particles are integrated using an algorithmically regularised integrator instead of the leapfrog integrator with gravitational softening used by GADGET-4. This enables modelling SMBHs as point particles even during close interactions with stellar particles or other SMBHs, effectively removing the spatial resolution limitation caused by gravitational softening. KETJU also includes post-Newtonian corrections, which allows following the dynamics of SMBH binaries to sub-parsec scales and down to tens of Schwarzschild radii. Systems with multiple SMBHs are also supported, with the code also including the leading non-linear cross terms that appear in the post-Newtonian equations for such systems. We present tests of the code showing that it correctly captures, at sufficient mass resolution, the sinking driven by dynamical friction and binary hardening driven by stellar scattering. We also present an example application demonstrating how the code can be applied to study the dynamics of SMBHs in mergers of multiple galaxies and the effect they have on the properties of the surrounding galaxy. We expect that the presented KETJU SMBH dynamics module can also be straightforwardly incorporated into other codes similar to GADGET-4, which would allow coupling small-scale SMBH dynamics to the rich variety of galactic physics models that exist in the literature.

  • 8 authors
·
Jun 8, 2023

Fluctuations and correlations in chemical reaction kinetics and population dynamics

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

  • 1 authors
·
Jul 3, 2018

Boosting Reservoir Computing with Brain-inspired Adaptive Dynamics

Reservoir computers (RCs) provide a computationally efficient alternative to deep learning while also offering a framework for incorporating brain-inspired computational principles. By using an internal neural network with random, fixed connections-the 'reservoir'-and training only the output weights, RCs simplify the training process but remain sensitive to the choice of hyperparameters that govern activation functions and network architecture. Moreover, typical RC implementations overlook a critical aspect of neuronal dynamics: the balance between excitatory and inhibitory (E-I) signals, which is essential for robust brain function. We show that RCs characteristically perform best in balanced or slightly over-inhibited regimes, outperforming excitation-dominated ones. To reduce the need for precise hyperparameter tuning, we introduce a self-adapting mechanism that locally adjusts E/I balance to achieve target neuronal firing rates, improving performance by up to 130% in tasks like memory capacity and time series prediction compared with globally tuned RCs. Incorporating brain-inspired heterogeneity in target neuronal firing rates further reduces the need for fine-tuning hyperparameters and enables RCs to excel across linear and non-linear tasks. These results support a shift from static optimization to dynamic adaptation in reservoir design, demonstrating how brain-inspired mechanisms improve RC performance and robustness while deepening our understanding of neural computation.

  • 3 authors
·
Apr 16, 2025

Scaling physics-informed hard constraints with mixture-of-experts

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

  • 3 authors
·
Feb 20, 2024

In-Context Linear Regression Demystified: Training Dynamics and Mechanistic Interpretability of Multi-Head Softmax Attention

We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query (KQ) weights, and a last-entry-only and zero-sum pattern in the output-value (OV) weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor -- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. Furthermore, compared to linear transformers, the softmax attention readily generalizes to sequences longer than those seen during training. We also extend our study to scenarios with non-isotropic covariates and multi-task linear regression. In the former, multi-head attention learns to implement a form of pre-conditioned gradient descent. In the latter, we uncover an intriguing regime where the interplay between head number and task number triggers a superposition phenomenon that efficiently resolves multi-task in-context learning. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.

  • 4 authors
·
Mar 16, 2025

Koopa: Learning Non-stationary Time Series Dynamics with Koopman Predictors

Real-world time series are characterized by intrinsic non-stationarity that poses a principal challenge for deep forecasting models. While previous models suffer from complicated series variations induced by changing temporal distribution, we tackle non-stationary time series with modern Koopman theory that fundamentally considers the underlying time-variant dynamics. Inspired by Koopman theory of portraying complex dynamical systems, we disentangle time-variant and time-invariant components from intricate non-stationary series by Fourier Filter and design Koopman Predictor to advance respective dynamics forward. Technically, we propose Koopa as a novel Koopman forecaster composed of stackable blocks that learn hierarchical dynamics. Koopa seeks measurement functions for Koopman embedding and utilizes Koopman operators as linear portraits of implicit transition. To cope with time-variant dynamics that exhibits strong locality, Koopa calculates context-aware operators in the temporal neighborhood and is able to utilize incoming ground truth to scale up forecast horizon. Besides, by integrating Koopman Predictors into deep residual structure, we ravel out the binding reconstruction loss in previous Koopman forecasters and achieve end-to-end forecasting objective optimization. Compared with the state-of-the-art model, Koopa achieves competitive performance while saving 77.3% training time and 76.0% memory.

  • 4 authors
·
May 30, 2023

Language Game: Talking to Non-Human Systems

Language carries thought and coordination among humans but rarely reaches further along the spectrum of diverse intelligence. Yet non-neural systems -- from gene regulatory networks and microbial consortia to fungi -- are increasingly recognized as substrates of computation, decision-making and memory, making dialogue with non-human intelligence newly conceivable. Today such dialogue is attempted only by proxy: a large language model speaks on the system's behalf, so any intelligence on display originates from the model while the system itself remains silent. Here we ask whether the system can speak in its own voice. Following Wittgenstein, who located meaning in use, we treat communication as a game played with the system. Its internal dynamics are frozen as the nonlinear core of a reinforcement-learning policy, with only linear input and output interfaces trained. Through use and reward, the system's states and responses acquire meaning within the game, so playing becomes speaking. Because different architectures playing the same game optimize the same reward, their behaviors can all be read as pursuit of that reward; the game serves as a lingua franca across otherwise irreconcilable representations. Given a human prompt, a language model routes it to the game whose semantics best match it and designs an environmental state for which the desired action is the rational response, letting the system reply through its own behavior. Applied across diverse gene regulatory networks and reinforcement-learning tasks, the framework yields fluent dialogue without altering any system parameter, shows that well-trained agents of disparate origin converge on similar behavior, and reveals that specific GRN properties make a system easier or harder to talk with -- an inductive bias of the reservoir itself. Our framework opens a new route to conversing with any dynamical system on its own terms.

  • 2 authors
·
May 4

On Mesa-Optimization in Autoregressively Trained Transformers: Emergence and Capability

Autoregressively trained transformers have brought a profound revolution to the world, especially with their in-context learning (ICL) ability to address downstream tasks. Recently, several studies suggest that transformers learn a mesa-optimizer during autoregressive (AR) pretraining to implement ICL. Namely, the forward pass of the trained transformer is equivalent to optimizing an inner objective function in-context. However, whether the practical non-convex training dynamics will converge to the ideal mesa-optimizer is still unclear. Towards filling this gap, we investigate the non-convex dynamics of a one-layer linear causal self-attention model autoregressively trained by gradient flow, where the sequences are generated by an AR process x_{t+1} = W x_t. First, under a certain condition of data distribution, we prove that an autoregressively trained transformer learns W by implementing one step of gradient descent to minimize an ordinary least squares (OLS) problem in-context. It then applies the learned W for next-token prediction, thereby verifying the mesa-optimization hypothesis. Next, under the same data conditions, we explore the capability limitations of the obtained mesa-optimizer. We show that a stronger assumption related to the moments of data is the sufficient and necessary condition that the learned mesa-optimizer recovers the distribution. Besides, we conduct exploratory analyses beyond the first data condition and prove that generally, the trained transformer will not perform vanilla gradient descent for the OLS problem. Finally, our simulation results verify the theoretical results.

  • 6 authors
·
May 27, 2024

amangkurat: A Python Library for Symplectic Pseudo-Spectral Solution of the Idealized (1+1)D Nonlinear Klein-Gordon Equation

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

  • 2 authors
·
Dec 27, 2025

A Decoupled Basis-Vector-Driven Generative Framework for Dynamic Multi-Objective Optimization

Dynamic multi-objective optimization requires continuous tracking of moving Pareto fronts. Existing methods struggle with irregular mutations and data sparsity, primarily facing three challenges: the non-linear coupling of dynamic modes, negative transfer from outdated historical data, and the cold-start problem during environmental switches. To address these issues, this paper proposes a decoupled basis-vector-driven generative framework (DB-GEN). First, to resolve non-linear coupling, the framework employs the discrete wavelet transform to separate evolutionary trajectories into low-frequency trends and high-frequency details. Second, to mitigate negative transfer, it learns transferable basis vectors via sparse dictionary learning rather than directly memorizing historical instances. Recomposing these bases under a topology-aware contrastive constraint constructs a structured latent manifold. Finally, to overcome the cold-start problem, a surrogate-assisted search paradigm samples initial populations from this manifold. Pre-trained on 120 million solutions, DB-GEN performs direct online inference without retraining or fine-tuning. This zero-shot generation process executes in milliseconds, requiring approximately 0.2 seconds per environmental change. Experimental results demonstrate that DB-GEN improves tracking accuracy across various dynamic benchmarks compared to existing algorithms.

  • 5 authors
·
Mar 31

Learning dynamic representations of the functional connectome in neurobiological networks

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

  • 5 authors
·
Feb 21, 2024

Learning to Optimize Multi-Objective Alignment Through Dynamic Reward Weighting

Prior works in multi-objective reinforcement learning typically use linear reward scalarization with fixed weights, which provably fail to capture non-convex Pareto fronts and thus yield suboptimal results. This limitation becomes especially critical in online preference alignment for large language models. Here, stochastic trajectories generated by parameterized policies create highly non-linear and non-convex mappings from parameters to objectives that no single static weighting scheme can find optimal trade-offs. We address this limitation by introducing dynamic reward weighting, which adaptively adjusts reward weights during the online reinforcement learning process. Unlike existing approaches that rely on fixed-weight interpolation, our dynamic weighting continuously balances and prioritizes objectives in training, facilitating effective exploration of Pareto fronts in objective space. We introduce two approaches of increasing sophistication and generalizability: (1) hypervolume-guided weight adaptation and (2) gradient-based weight optimization, offering a versatile toolkit for online multi-objective alignment. Our extensive experiments demonstrate their compatibility with commonly used online reinforcement learning algorithms (including GRPO, REINFORCE, and RLOO), effectiveness across multiple mathematical reasoning datasets, and applicability to different model families, consistently achieving Pareto dominant solutions with fewer training steps than fixed-weight linear scalarization baselines.

Softplus Attention with Re-weighting Boosts Length Extrapolation in Large Language Models

Large language models have achieved remarkable success in recent years, primarily due to the implementation of self-attention mechanisms. However, traditional Softmax attention suffers from numerical instability and reduced performance as the length of inference tokens increases. This paper addresses these issues by decomposing the Softmax operation into a non-linear transformation and the l_1-norm. We identify the latter as essential for maintaining model performance. By replacing the non-linear transformation with the Softplus activation function and introducing a dynamic scale factor for different token lengths based on invariance entropy, we create a novel attention mechanism with performance better than conventional Softmax attention across various inference lengths. To further improve the length extrapolation ability of the proposed attention mechanism, we introduce a fine-tuning-free re-weighting mechanism that amplifies significant attention weights while diminishing weaker ones, enabling the model to concentrate more effectively on relevant tokens without requiring retraining. When combined with our proposed attention mechanism, this approach demonstrates significant promise in managing longer sequences, maintaining nearly constant validation loss even at 16times the training token length while ensuring numerical stability. Our code is available at: https://github.com/iminfine/freeatten.

  • 2 authors
·
Jan 23, 2025

Maia-2: A Unified Model for Human-AI Alignment in Chess

There are an increasing number of domains in which artificial intelligence (AI) systems both surpass human ability and accurately model human behavior. This introduces the possibility of algorithmically-informed teaching in these domains through more relatable AI partners and deeper insights into human decision-making. Critical to achieving this goal, however, is coherently modeling human behavior at various skill levels. Chess is an ideal model system for conducting research into this kind of human-AI alignment, with its rich history as a pivotal testbed for AI research, mature superhuman AI systems like AlphaZero, and precise measurements of skill via chess rating systems. Previous work in modeling human decision-making in chess uses completely independent models to capture human style at different skill levels, meaning they lack coherence in their ability to adapt to the full spectrum of human improvement and are ultimately limited in their effectiveness as AI partners and teaching tools. In this work, we propose a unified modeling approach for human-AI alignment in chess that coherently captures human style across different skill levels and directly captures how people improve. Recognizing the complex, non-linear nature of human learning, we introduce a skill-aware attention mechanism to dynamically integrate players' strengths with encoded chess positions, enabling our model to be sensitive to evolving player skill. Our experimental results demonstrate that this unified framework significantly enhances the alignment between AI and human players across a diverse range of expertise levels, paving the way for deeper insights into human decision-making and AI-guided teaching tools.

  • 6 authors
·
Oct 30, 2024

Adaptive Field Effect Planner for Safe Interactive Autonomous Driving on Curved Roads

Autonomous driving has garnered significant attention for its potential to improve safety, traffic efficiency, and user convenience. However, the dynamic and complex nature of interactive driving poses significant challenges, including the need to navigate non-linear road geometries, handle dynamic obstacles, and meet stringent safety and comfort requirements. Traditional approaches, such as artificial potential fields (APF), often fall short in addressing these complexities independently, necessitating the development of integrated and adaptive frameworks. This paper presents a novel approach to autonomous vehicle navigation that integrates artificial potential fields, Frenet coordinates, and improved particle swarm optimization (IPSO). A dynamic risk field, adapted from traditional APF, is proposed to ensure interactive safety by quantifying risks and dynamically adjusting lane-changing intentions based on surrounding vehicle behavior. Frenet coordinates are utilized to simplify trajectory planning on non-straight roads, while an enhanced quintic polynomial trajectory generator ensures smooth and comfortable path transitions. Additionally, an IPSO algorithm optimizes trajectory selection in real time, balancing safety and user comfort within a feasible input range. The proposed framework is validated through extensive simulations and real-world scenarios, demonstrating its ability to navigate complex traffic environments, maintain safety margins, and generate smooth, dynamically feasible trajectories.

  • 5 authors
·
Apr 20, 2025

TempSamp-R1: Effective Temporal Sampling with Reinforcement Fine-Tuning for Video LLMs

This paper introduces TempSamp-R1, a new reinforcement fine-tuning framework designed to improve the effectiveness of adapting multimodal large language models (MLLMs) to video temporal grounding tasks. We reveal that existing reinforcement learning methods, such as Group Relative Policy Optimization (GRPO), rely on on-policy sampling for policy updates. However, in tasks with large temporal search spaces, this strategy becomes both inefficient and limited in performance, as it often fails to identify temporally accurate solutions. To address this limitation, TempSamp-R1 leverages ground-truth annotations as off-policy supervision to provide temporally precise guidance, effectively compensating for the sparsity and misalignment in on-policy solutions. To further stabilize training and reduce variance in reward-based updates, TempSamp-R1 provides a non-linear soft advantage computation method that dynamically reshapes the reward feedback via an asymmetric transformation. By employing a hybrid Chain-of-Thought (CoT) training paradigm, TempSamp-R1 optimizes a single unified model to support both CoT and non-CoT inference modes, enabling efficient handling of queries with varying reasoning complexity. Experimental results demonstrate that TempSamp-R1 outperforms GRPO-based baselines, establishing new state-of-the-art performance on benchmark datasets: Charades-STA (R1@0.7: 52.9%, +2.7%), ActivityNet Captions (R1@0.5: 56.0%, +5.3%), and QVHighlights (mAP: 30.0%, +3.0%). Moreover, TempSamp-R1 shows robust few-shot generalization capabilities under limited data. Code: https://github.com/HVision-NKU/TempSamp-R1

  • 7 authors
·
Sep 22, 2025 3

8-bit Optimizers via Block-wise Quantization

Stateful optimizers maintain gradient statistics over time, e.g., the exponentially smoothed sum (SGD with momentum) or squared sum (Adam) of past gradient values. This state can be used to accelerate optimization compared to plain stochastic gradient descent but uses memory that might otherwise be allocated to model parameters, thereby limiting the maximum size of models trained in practice. In this paper, we develop the first optimizers that use 8-bit statistics while maintaining the performance levels of using 32-bit optimizer states. To overcome the resulting computational, quantization, and stability challenges, we develop block-wise dynamic quantization. Block-wise quantization divides input tensors into smaller blocks that are independently quantized. Each block is processed in parallel across cores, yielding faster optimization and high precision quantization. To maintain stability and performance, we combine block-wise quantization with two additional changes: (1) dynamic quantization, a form of non-linear optimization that is precise for both large and small magnitude values, and (2) a stable embedding layer to reduce gradient variance that comes from the highly non-uniform distribution of input tokens in language models. As a result, our 8-bit optimizers maintain 32-bit performance with a small fraction of the memory footprint on a range of tasks, including 1.5B parameter language modeling, GLUE finetuning, ImageNet classification, WMT'14 machine translation, MoCo v2 contrastive ImageNet pretraining+finetuning, and RoBERTa pretraining, without changes to the original optimizer hyperparameters. We open-source our 8-bit optimizers as a drop-in replacement that only requires a two-line code change.

  • 4 authors
·
Oct 6, 2021

Robust Depth Linear Error Decomposition with Double Total Variation and Nuclear Norm for Dynamic MRI Reconstruction

Compressed Sensing (CS) significantly speeds up Magnetic Resonance Image (MRI) processing and achieves accurate MRI reconstruction from under-sampled k-space data. According to the current research, there are still several problems with dynamic MRI k-space reconstruction based on CS. 1) There are differences between the Fourier domain and the Image domain, and the differences between MRI processing of different domains need to be considered. 2) As three-dimensional data, dynamic MRI has its spatial-temporal characteristics, which need to calculate the difference and consistency of surface textures while preserving structural integrity and uniqueness. 3) Dynamic MRI reconstruction is time-consuming and computationally resource-dependent. In this paper, we propose a novel robust low-rank dynamic MRI reconstruction optimization model via highly under-sampled and Discrete Fourier Transform (DFT) called the Robust Depth Linear Error Decomposition Model (RDLEDM). Our method mainly includes linear decomposition, double Total Variation (TV), and double Nuclear Norm (NN) regularizations. By adding linear image domain error analysis, the noise is reduced after under-sampled and DFT processing, and the anti-interference ability of the algorithm is enhanced. Double TV and NN regularizations can utilize both spatial-temporal characteristics and explore the complementary relationship between different dimensions in dynamic MRI sequences. In addition, Due to the non-smoothness and non-convexity of TV and NN terms, it is difficult to optimize the unified objective model. To address this issue, we utilize a fast algorithm by solving a primal-dual form of the original problem. Compared with five state-of-the-art methods, extensive experiments on dynamic MRI data demonstrate the superior performance of the proposed method in terms of both reconstruction accuracy and time complexity.

  • 3 authors
·
Oct 23, 2023

Nonlinear dynamics of a chemically-active drop: from steady to chaotic self-propulsion

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics and `decide' what to do, we propose a minimal axisymmetric model of a spherical active drop, and show that simple and linear interface properties can lead to both steady self-propulsion of the droplet as well as chaotic behavior. The model includes two different mobility mechanisms, namely, diffusiophoresis and the Marangoni effect, that convert self-generated gradients of surfactant concentration into the flow at the droplet surface. In turn, surface-driven flow initiates surfactant advection that is the only nonlinear mechanism and, thus, the only source of dynamical complexity in our model. Numerical investigation of the fully-coupled hydrodynamic and advection diffusion problems reveals that strong advection (e.g., large droplet size) may destabilize a steadily self-propelling drop; once destabilized, the droplet spontaneously stops and a symmetric extensile flow emerges. If advection is strengthened even further in comparison with molecular diffusion, the droplet may perform chaotic oscillations. Our results indicate that the thresholds of these instabilities depend heavily on the balance between diffusiophoresis and the Marangoni effect. Using linear stability analysis, we demonstrate that diffusiophoresis promotes the onset of high-order modes of monotonic instability of the motionless drop. We argue that diffusiophoresis has a similar effect on the instabilities of a moving drop.

  • 2 authors
·
Jan 8, 2019

Discovery of Nonlinear Dynamics with Automated Basis Function Generation

Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.

  • 2 authors
·
May 9

Exact solutions to the nonlinear dynamics of learning in deep linear neural networks

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.

  • 3 authors
·
Dec 20, 2013

DyMixOp: Guiding Neural Operator Design for PDEs from a Complex Dynamics Perspective with Local-Global-Mixing

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

  • 3 authors
·
Aug 18, 2025

Deep Embedded Multiplicative DMD for Algebra-Preserving Koopman Learning

Koopman theory turns nonlinear dynamics into a linear spectral problem. In computation, however, everything depends on a hard finite-dimensional choice: the observables must be expressive, nearly invariant under the dynamics, and, ideally, compatible with composition. Deep Koopman methods learn flexible coordinates, whereas structure-preserving methods enforce operator identities on fixed dictionaries. We combine these ideas by introducing Deep Embedded Multiplicative Dynamic Mode Decomposition (DeepMDMD), a method that learns a latent space and a partition of it, while enforcing the Koopman product rule as an exact algebraic constraint. Training alternates between an exact multiplicative operator update and a differentiable latent-clustering step that promotes Koopman closure. The result is a finite transition map on learned latent cells. Its nonzero spectrum lies on the unit circle, its dictionary is shaped by the dynamics rather than by ambient geometry, and forecasts are made in latent coordinates before being decoded to physical space. Across Hamiltonian, chaotic, and fluid examples, DeepMDMD learns dictionaries that are far more compact and dynamically coherent than those produced by geometric MDMD partitions. It reduces spectral pollution, reveals richer continuous-spectrum structure, and gives stable forecasts under severe noise. In high-dimensional flows, including a 158,624-dimensional cylinder wake and a noisy Re=20,000 lid-driven cavity, it preserves coherent structures and long-time spectral statistics where state-space MDMD fails. These results suggest a practical rule for Koopman learning: learn the coordinates, constrain the algebra.

Asynchronous Parallel Reinforcement Learning for Optimizing Propulsive Performance in Fin Ray Control

Fish fin rays constitute a sophisticated control system for ray-finned fish, facilitating versatile locomotion within complex fluid environments. Despite extensive research on the kinematics and hydrodynamics of fish locomotion, the intricate control strategies in fin-ray actuation remain largely unexplored. While deep reinforcement learning (DRL) has demonstrated potential in managing complex nonlinear dynamics; its trial-and-error nature limits its application to problems involving computationally demanding environmental interactions. This study introduces a cutting-edge off-policy DRL algorithm, interacting with a fluid-structure interaction (FSI) environment to acquire intricate fin-ray control strategies tailored for various propulsive performance objectives. To enhance training efficiency and enable scalable parallelism, an innovative asynchronous parallel training (APT) strategy is proposed, which fully decouples FSI environment interactions and policy/value network optimization. The results demonstrated the success of the proposed method in discovering optimal complex policies for fin-ray actuation control, resulting in a superior propulsive performance compared to the optimal sinusoidal actuation function identified through a parametric grid search. The merit and effectiveness of the APT approach are also showcased through comprehensive comparison with conventional DRL training strategies in numerical experiments of controlling nonlinear dynamics.

  • 5 authors
·
Jan 20, 2024

Limits and Powers of Koopman Learning

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

  • 3 authors
·
Jul 8, 2024

Accelerating Neural ODEs Using Model Order Reduction

Embedding nonlinear dynamical systems into artificial neural networks is a powerful new formalism for machine learning. By parameterizing ordinary differential equations (ODEs) as neural network layers, these Neural ODEs are memory-efficient to train, process time-series naturally and incorporate knowledge of physical systems into deep learning models. However, the practical applications of Neural ODEs are limited due to long inference times, because the outputs of the embedded ODE layers are computed numerically with differential equation solvers that can be computationally demanding. Here we show that mathematical model order reduction methods can be used for compressing and accelerating Neural ODEs by accurately simulating the continuous nonlinear dynamics in low-dimensional subspaces. We implement our novel compression method by developing Neural ODEs that integrate the necessary subspace-projection and interpolation operations as layers of the neural network. We validate our approach by comparing it to neuron pruning and SVD-based weight truncation methods from the literature in image and time-series classification tasks. The methods are evaluated by acceleration versus accuracy when adjusting the level of compression. On this spectrum, we achieve a favourable balance over existing methods by using model order reduction when compressing a convolutional Neural ODE. In compressing a recurrent Neural ODE, SVD-based weight truncation yields good performance. Based on our results, our integration of model order reduction with Neural ODEs can facilitate efficient, dynamical system-driven deep learning in resource-constrained applications.

  • 3 authors
·
May 28, 2021

SINDy-RL: Interpretable and Efficient Model-Based Reinforcement Learning

Deep reinforcement learning (DRL) has shown significant promise for uncovering sophisticated control policies that interact in environments with complicated dynamics, such as stabilizing the magnetohydrodynamics of a tokamak fusion reactor or minimizing the drag force exerted on an object in a fluid flow. However, these algorithms require an abundance of training examples and may become prohibitively expensive for many applications. In addition, the reliance on deep neural networks often results in an uninterpretable, black-box policy that may be too computationally expensive to use with certain embedded systems. Recent advances in sparse dictionary learning, such as the sparse identification of nonlinear dynamics (SINDy), have shown promise for creating efficient and interpretable data-driven models in the low-data regime. In this work we introduce SINDy-RL, a unifying framework for combining SINDy and DRL to create efficient, interpretable, and trustworthy representations of the dynamics model, reward function, and control policy. We demonstrate the effectiveness of our approaches on benchmark control environments and challenging fluids problems. SINDy-RL achieves comparable performance to state-of-the-art DRL algorithms using significantly fewer interactions in the environment and results in an interpretable control policy orders of magnitude smaller than a deep neural network policy.

  • 4 authors
·
Mar 14, 2024

Signal Temporal Logic Neural Predictive Control

Ensuring safety and meeting temporal specifications are critical challenges for long-term robotic tasks. Signal temporal logic (STL) has been widely used to systematically and rigorously specify these requirements. However, traditional methods of finding the control policy under those STL requirements are computationally complex and not scalable to high-dimensional or systems with complex nonlinear dynamics. Reinforcement learning (RL) methods can learn the policy to satisfy the STL specifications via hand-crafted or STL-inspired rewards, but might encounter unexpected behaviors due to ambiguity and sparsity in the reward. In this paper, we propose a method to directly learn a neural network controller to satisfy the requirements specified in STL. Our controller learns to roll out trajectories to maximize the STL robustness score in training. In testing, similar to Model Predictive Control (MPC), the learned controller predicts a trajectory within a planning horizon to ensure the satisfaction of the STL requirement in deployment. A backup policy is designed to ensure safety when our controller fails. Our approach can adapt to various initial conditions and environmental parameters. We conduct experiments on six tasks, where our method with the backup policy outperforms the classical methods (MPC, STL-solver), model-free and model-based RL methods in STL satisfaction rate, especially on tasks with complex STL specifications while being 10X-100X faster than the classical methods.

  • 2 authors
·
Sep 10, 2023

A Low-complexity Structured Neural Network to Realize States of Dynamical Systems

Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.

  • 4 authors
·
Mar 30, 2025

Real-Time Structural Deflection Estimation in Hydraulically Actuated Systems Using 3D Flexible Multibody Simulation and DNNs

The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally intensive, and achieving real-time autonomy, using standard approaches, impossible. Machine learning through data-driven, physics-informed and physics-inspired networks, however, promises more computationally efficient and accurate solutions to nonlinear dynamic problems. This study proposes a novel framework that has been developed to estimate real-time structural deflection in hydraulically actuated three-dimensional systems. It is based on SLIDE, a machine-learning-based method to estimate dynamic responses of mechanical systems subjected to forced excitations.~Further, an algorithm is introduced for the data acquisition from a hydraulically actuated system using randomized initial configurations and hydraulic pressures.~The new framework was tested on a hydraulically actuated flexible boom with various sensor combinations and lifting various payloads. The neural network was successfully trained in less time using standard parameters from PyTorch, ADAM optimizer, the various sensor inputs, and minimal output data. The SLIDE-trained neural network accelerated deflection estimation solutions by a factor of 10^7 in reference to flexible multibody simulation batches and provided reasonable accuracy. These results support the studies goal of providing robust, real-time solutions for control, robotic manipulators, structural health monitoring, and automation problems.

  • 6 authors
·
Mar 10, 2025

Probing the Critical Point (CritPt) of AI Reasoning: a Frontier Physics Research Benchmark

While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integrated Thinking - Physics Test, pronounced "critical point"), the first benchmark designed to test LLMs on unpublished, research-level reasoning tasks that broadly covers modern physics research areas, including condensed matter, quantum physics, atomic, molecular & optical physics, astrophysics, high energy physics, mathematical physics, statistical physics, nuclear physics, nonlinear dynamics, fluid dynamics and biophysics. CritPt consists of 71 composite research challenges designed to simulate full-scale research projects at the entry level, which are also decomposed to 190 simpler checkpoint tasks for more fine-grained insights. All problems are newly created by 50+ active physics researchers based on their own research. Every problem is hand-curated to admit a guess-resistant and machine-verifiable answer and is evaluated by an automated grading pipeline heavily customized for advanced physics-specific output formats. We find that while current state-of-the-art LLMs show early promise on isolated checkpoints, they remain far from being able to reliably solve full research-scale challenges: the best average accuracy among base models is only 4.0% , achieved by GPT-5 (high), moderately rising to around 10% when equipped with coding tools. Through the realistic yet standardized evaluation offered by CritPt, we highlight a large disconnect between current model capabilities and realistic physics research demands, offering a foundation to guide the development of scientifically grounded AI tools.

  • 64 authors
·
Sep 30, 2025 2

NerVE: Nonlinear Eigenspectrum Dynamics in LLM Feed-Forward Networks

We introduce NerVE, a unified eigenspectral framework for understanding how feed-forward networks (FFNs) in large language models (LLMs) organize and regulate information flow in high-dimensional latent space. Despite FFNs dominating the parameter budget, their high-dimensional dynamics remain poorly understood. NerVE addresses this gap through lightweight, memory-efficient tracking of eigenspectrum dynamics via four complementary metrics: Spectral Entropy (dispersion), Participation Ratio (effective dimensionality), Eigenvalue Early Enrichment (top-heaviness), and Jensen-Shannon divergence (distributional shifts). Our key insight is that FFN nonlinearities reinject variance across eigenmodes, fundamentally governing latent dimension utilization, and that optimizer geometry strongly modulates the extent of this variance reinjection. We validate NerVE across model scales, and diverse architectural and optimizer configurations, each uniquely shaping FFN dynamics: normalization schemes controlling variance flow; FFN weight geometries constraining latent space; positional encoding and activation functions regulating information flow; and optimizer choices redistributing effective capacity across depth. Across these settings, NerVE consistently recovers stable spectral signatures that correlate with model's generalization ability and respond predictably to design choices, generalizing beyond transformer to MLP-Mixer architectures, providing actionable insights for architectural and optimizer choices beyond trial-and-error.

Uncertainty quantification in a mechanical submodel driven by a Wasserstein-GAN

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

  • 4 authors
·
Oct 26, 2021

\texttt{simple-idealized-1d-nlse}: Pseudo-Spectral Solver for the 1D Nonlinear Schrödinger Equation

We present an open-source Python implementation of an idealized high-order pseudo-spectral solver for the one-dimensional nonlinear Schr\"odinger equation (NLSE). The solver combines Fourier spectral spatial discretization with an adaptive eighth-order Dormand-Prince time integration scheme to achieve machine-precision conservation of mass and near-perfect preservation of momentum and energy for smooth solutions. The implementation accurately reproduces fundamental NLSE phenomena including soliton collisions with analytically predicted phase shifts, Akhmediev breather dynamics, and the development of modulation instability from noisy initial conditions. Four canonical test cases validate the numerical scheme: single soliton propagation, two-soliton elastic collision, breather evolution, and noise-seeded modulation instability. The solver employs a 2/3 dealiasing rule with exponential filtering to prevent aliasing errors from the cubic nonlinearity. Statistical analysis using Shannon, R\'enyi, and Tsallis entropies quantifies the spatio-temporal complexity of solutions, while phase space representations reveal the underlying coherence structure. The implementation prioritizes code transparency and educational accessibility over computational performance, providing a valuable pedagogical tool for exploring nonlinear wave dynamics. Complete source code, documentation, and example configurations are freely available, enabling reproducible computational experiments across diverse physical contexts where the NLSE governs wave evolution, including nonlinear optics, Bose-Einstein condensates, and ocean surface waves.

  • 5 authors
·
Sep 6, 2025

What Shape is the Inflationary Bispectrum?

Non-linear interactions during inflation generate non-Gaussianities in the distribution of primordial curvature. In many theories, the physics is scale-invariant, such that the induced three-point function depends solely on a dimensionless shape function S(x,y)sim k^6B_ζ(kx,ky,k). To confront such models with observations, one typically builds specialized estimators for each shape, then applies them to cosmic microwave background datasets at significant computational expense. In this Letter, we take a different approach, directly reconstructing S(x,y) from observations using an efficient logarithmically-binned estimator in primordial-space (motivated by the modal program). Applying this to temperature and polarization maps from Planck, we obtain high-resolution shape measurements across the full (x,y)-plane, including squeezed limits. Our approach is close-to-optimal, highly interpretable, and preserves the information content on (optimally-analyzed) standard templates within approx 10%; moreover, we can use it to assess the scale-dependence of our constraints, finding that Planck is sensitive to approx 6 e-folds of non-Gaussian evolution with a peak sensitivity around 0.1h,Mpc^{-1}. Since we work directly in shape-space, data and theory can be compared in milliseconds. As an example, we perform a search for massive particle exchange using a suite of over 20,000 theoretical templates computed with exact bootstrap methods (for the first time) across a wide range of masses, spins, and sound-speeds; the spin-two analysis yields a maximum significance of 2.6σ. Our approach can be used to probe a wide range of scale-invariant models in orders-of-magnitude less time than with direct estimators, allowing the inflationary paradigm to be explored in new ways.

  • 1 authors
·
Mar 25

Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction

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.

  • 4 authors
·
Oct 18, 2024

The Principles of Deep Learning Theory

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

  • 3 authors
·
Jun 18, 2021

Synchronization and Redundancy: Implications for Robustness of Neural Learning and Decision Making

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

  • 2 authors
·
Oct 21, 2010

GyroSwin: 5D Surrogates for Gyrokinetic Plasma Turbulence Simulations

Nuclear fusion plays a pivotal role in the quest for reliable and sustainable energy production. A major roadblock to viable fusion power is understanding plasma turbulence, which significantly impairs plasma confinement, and is vital for next-generation reactor design. Plasma turbulence is governed by the nonlinear gyrokinetic equation, which evolves a 5D distribution function over time. Due to its high computational cost, reduced-order models are often employed in practice to approximate turbulent transport of energy. However, they omit nonlinear effects unique to the full 5D dynamics. To tackle this, we introduce GyroSwin, the first scalable 5D neural surrogate that can model 5D nonlinear gyrokinetic simulations, thereby capturing the physical phenomena neglected by reduced models, while providing accurate estimates of turbulent heat transport.GyroSwin (i) extends hierarchical Vision Transformers to 5D, (ii) introduces cross-attention and integration modules for latent 3Dleftrightarrow5D interactions between electrostatic potential fields and the distribution function, and (iii) performs channelwise mode separation inspired by nonlinear physics. We demonstrate that GyroSwin outperforms widely used reduced numerics on heat flux prediction, captures the turbulent energy cascade, and reduces the cost of fully resolved nonlinear gyrokinetics by three orders of magnitude while remaining physically verifiable. GyroSwin shows promising scaling laws, tested up to one billion parameters, paving the way for scalable neural surrogates for gyrokinetic simulations of plasma turbulence.

NeuroDDAF: Neural Dynamic Diffusion-Advection Fields with Evidential Fusion for Air Quality Forecasting

Accurate air quality forecasting is crucial for protecting public health and guiding environmental policy, yet it remains challenging due to nonlinear spatiotemporal dynamics, wind-driven transport, and distribution shifts across regions. Physics-based models are interpretable but computationally expensive and often rely on restrictive assumptions, whereas purely data-driven models can be accurate but may lack robustness and calibrated uncertainty. To address these limitations, we propose Neural Dynamic Diffusion-Advection Fields (NeuroDDAF), a physics-informed forecasting framework that unifies neural representation learning with open-system transport modeling. NeuroDDAF integrates (i) a GRU-Graph Attention encoder to capture temporal dynamics and wind-aware spatial interactions, (ii) a Fourier-domain diffusion-advection module with learnable residuals, (iii) a wind-modulated latent Neural ODE to model continuous-time evolution under time-varying connectivity, and (iv) an evidential fusion mechanism that adaptively combines physics-guided and neural forecasts while quantifying uncertainty. Experiments on four urban datasets (Beijing, Shenzhen, Tianjin, and Ancona) across 1-3 day horizons show that NeuroDDAF consistently outperforms strong baselines, including AirPhyNet, achieving up to 9.7% reduction in RMSE and 9.4% reduction in MAE on long-term forecasts. On the Beijing dataset, NeuroDDAF attains an RMSE of 41.63 μg/m^3 for 1-day prediction and 48.88 μg/m^3 for 3-day prediction, representing the best performance among all compared methods. In addition, NeuroDDAF improves cross-city generalization and yields well-calibrated uncertainty estimates, as confirmed by ensemble variance analysis and case studies under varying wind conditions.

  • 4 authors
·
Mar 31

TempoRL: laser pulse temporal shape optimization with Deep Reinforcement Learning

High Power Laser's (HPL) optimal performance is essential for the success of a wide variety of experimental tasks related to light-matter interactions. Traditionally, HPL parameters are optimised in an automated fashion relying on black-box numerical methods. However, these can be demanding in terms of computational resources and usually disregard transient and complex dynamics. Model-free Deep Reinforcement Learning (DRL) offers a promising alternative framework for optimising HPL performance since it allows to tune the control parameters as a function of system states subject to nonlinear temporal dynamics without requiring an explicit dynamics model of those. Furthermore, DRL aims to find an optimal control policy rather than a static parameter configuration, particularly suitable for dynamic processes involving sequential decision-making. This is particularly relevant as laser systems are typically characterised by dynamic rather than static traits. Hence the need for a strategy to choose the control applied based on the current context instead of one single optimal control configuration. This paper investigates the potential of DRL in improving the efficiency and safety of HPL control systems. We apply this technique to optimise the temporal profile of laser pulses in the L1 pump laser hosted at the ELI Beamlines facility. We show how to adapt DRL to the setting of spectral phase control by solely tuning dispersion coefficients of the spectral phase and reaching pulses similar to transform limited with full-width at half-maximum (FWHM) of ca1.6 ps.

  • 5 authors
·
Apr 20, 2023

Chaos as an interpretable benchmark for forecasting and data-driven modelling

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.

  • 1 authors
·
Oct 11, 2021

A Multimodal PDE Foundation Model for Prediction and Scientific Text Descriptions

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to train approximations to multiple differential equations simultaneously and are thus a general purpose solver that can be adapted to downstream tasks. Current PDE foundation models focus on either learning general solution operators and/or the governing system of equations, and thus only handle numerical or symbolic modalities. However, real-world applications may require more flexible data modalities, e.g. text analysis or descriptive outputs. To address this gap, we propose a novel multimodal deep learning approach that leverages a transformer-based architecture to approximate solution operators for a wide variety of ODEs and PDEs. Our method integrates numerical inputs, such as equation parameters and initial conditions, with text descriptions of physical processes or system dynamics. This enables our model to handle settings where symbolic representations may be incomplete or unavailable. In addition to providing accurate numerical predictions, our approach generates interpretable scientific text descriptions, offering deeper insights into the underlying dynamics and solution properties. The numerical experiments show that our model provides accurate solutions for in-distribution data (with average relative error less than 3.3%) and out-of-distribution data (average relative error less than 7.8%) together with precise text descriptions (with correct descriptions generated 100% of times). In certain tests, the model is also shown to be capable of extrapolating solutions in time.

  • 5 authors
·
Feb 8, 2025

Generalized Teacher Forcing for Learning Chaotic Dynamics

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.

  • 4 authors
·
Jun 7, 2023

Closed-form Continuous-time Neural Models

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This limitation has significantly slowed down the scaling and understanding of numerous natural physical phenomena such as the dynamics of nervous systems. Ideally, we would circumvent this bottleneck by solving the given dynamical system in closed form. This is known to be intractable in general. Here, we show it is possible to closely approximate the interaction between neurons and synapses -- the building blocks of natural and artificial neural networks -- constructed by liquid time-constant networks (LTCs) efficiently in closed-form. To this end, we compute a tightly-bounded approximation of the solution of an integral appearing in LTCs' dynamics, that has had no known closed-form solution so far. This closed-form solution substantially impacts the design of continuous-time and continuous-depth neural models; for instance, since time appears explicitly in closed-form, the formulation relaxes the need for complex numerical solvers. Consequently, we obtain models that are between one and five orders of magnitude faster in training and inference compared to differential equation-based counterparts. More importantly, in contrast to ODE-based continuous networks, closed-form networks can scale remarkably well compared to other deep learning instances. Lastly, as these models are derived from liquid networks, they show remarkable performance in time series modeling, compared to advanced recurrent models.

  • 8 authors
·
Mar 1, 2022

On the Dynamics of Acceleration in First order Gradient Methods

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

  • 5 authors
·
Sep 22, 2025

Curl Descent: Non-Gradient Learning Dynamics with Sign-Diverse Plasticity

Gradient-based algorithms are a cornerstone of artificial neural network training, yet it remains unclear whether biological neural networks use similar gradient-based strategies during learning. Experiments often discover a diversity of synaptic plasticity rules, but whether these amount to an approximation to gradient descent is unclear. Here we investigate a previously overlooked possibility: that learning dynamics may include fundamentally non-gradient "curl"-like components while still being able to effectively optimize a loss function. Curl terms naturally emerge in networks with inhibitory-excitatory connectivity or Hebbian/anti-Hebbian plasticity, resulting in learning dynamics that cannot be framed as gradient descent on any objective. To investigate the impact of these curl terms, we analyze feedforward networks within an analytically tractable student-teacher framework, systematically introducing non-gradient dynamics through neurons exhibiting rule-flipped plasticity. Small curl terms preserve the stability of the original solution manifold, resulting in learning dynamics similar to gradient descent. Beyond a critical value, strong curl terms destabilize the solution manifold. Depending on the network architecture, this loss of stability can lead to chaotic learning dynamics that destroy performance. In other cases, the curl terms can counterintuitively speed learning compared to gradient descent by allowing the weight dynamics to escape saddles by temporarily ascending the loss. Our results identify specific architectures capable of supporting robust learning via diverse learning rules, providing an important counterpoint to normative theories of gradient-based learning in neural networks.

  • 3 authors
·
Oct 3, 2025

SymTorch: Symbolic Distillation of Neural Networks

What mathematical functions do neural network components learn? Symbolic distillation addresses this question by expressing neural network components with interpretable, closed-form mathematical expressions that expose the functional structure learned during training. We develop symbolic distillation as a systematic, architecture-agnostic methodology, and release our approach as the open-source SymTorch package - a PySR-powered library built natively for the PyTorch ecosystem. Applying this methodology across diverse architectures, we find that SymTorch is successful in the automated discovery of physical laws. Specifically, our approach (1) recovers pairwise interaction forces from graph neural networks trained on empirical n-body observations, (2) distills the exact closed-form PDE/ODE solutions of multiple physical systems, including the value of constants, from physics-informed neural networks trained on sparse data, and (3) uncovers the chaotic dynamics of the Lorenz system from high-dimensional data, ultimately outperforming the base neural network on downstream prediction tasks. We further demonstrate the utility of our framework for model interpretability by providing an optimized implementation of SLIME - a symbolic extension to the LIME explainability method. SLIME consistently outperforms LIME across predictive metrics across eight popular classification and regression benchmarks, while still providing an interpretable local symbolic model. Lastly, we investigate replacing transformer MLP layers with symbolic surrogates: replacing 1-7 layers with symbolic approximations yields 2-19\% throughput improvements and up to 18.7\% VRAM reduction, with the resulting hybrid models lying on the Pareto front of throughput versus perplexity among open-source LLMs of comparable scale.

  • 3 authors
·
May 10

A Neural PDE Solver with Temporal Stencil Modeling

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

  • 3 authors
·
Feb 16, 2023

Neural Integral Equations

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

  • 7 authors
·
Sep 29, 2022

Respecting causality is all you need for training physics-informed neural networks

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

  • 3 authors
·
Mar 14, 2022