High precision PINNs in unbounded domains: application to singularity formulation in PDEs

We investigate the high-precision training of Physics-Informed Neural Networks (PINNs) in unbounded domains, with a special focus on applications to singularity formulation in PDEs. We propose a modularized approach and study the choices of neural network ansatz, sampling strategy, and optimization algorithm. When combined with rigorous computer-assisted proofs and PDE analysis, the numerical solutions identified by PINNs, provided they are of high precision, can serve as a powerful tool for studying singularities in PDEs. For 1D Burgers equation, our framework can lead to a solution with very high precision, and for the 2D Boussinesq equation, which is directly related to the singularity formulation in 3D Euler and Navier-Stokes equations, we obtain a solution whose loss is $4$ digits smaller than that obtained in \cite{wang2023asymptotic} with fewer training steps. We also discuss potential directions for pushing towards machine precision for higher-dimensional problems.

Impromptu VLA: Open Weights and Open Data for Driving Vision-Language-Action Models

Vision-Language-Action (VLA) models for autonomous driving show promise but falter in unstructured corner case scenarios, largely due to a scarcity of targeted benchmarks. To address this, we introduce Impromptu VLA. Our core contribution is the Impromptu VLA Dataset: over 80,000 meticulously curated video clips, distilled from over 2M source clips sourced from 8 open-source large-scale datasets. This dataset is built upon our novel taxonomy of four challenging unstructured categories and features rich, planning-oriented question-answering annotations and action trajectories. Crucially, experiments demonstrate that VLAs trained with our dataset achieve substantial performance gains on established benchmarks--improving closed-loop NeuroNCAP scores and collision rates, and reaching near state-of-the-art L2 accuracy in open-loop nuScenes trajectory prediction. Furthermore, our Q&A suite serves as an effective diagnostic, revealing clear VLM improvements in perception, prediction, and planning. Our code, data and models are available at https://github.com/ahydchh/Impromptu-VLA.

Neural Thermodynamic Laws for Large Language Model Training

Beyond neural scaling laws, little is known about the laws underlying large language models (LLMs). We introduce Neural Thermodynamic Laws (NTL) -- a new framework that offers fresh insights into LLM training dynamics. On the theoretical side, we demonstrate that key thermodynamic quantities (e.g., temperature, entropy, heat capacity, thermal conduction) and classical thermodynamic principles (e.g., the three laws of thermodynamics and the equipartition theorem) naturally emerge under river-valley loss landscape assumptions. On the practical side, this scientific perspective yields intuitive guidelines for designing learning rate schedules.

Superposition Yields Robust Neural Scaling

The success of today's large language models (LLMs) depends on the observation that larger models perform better. However, the origin of this neural scaling law -- the finding that loss decreases as a power law with model size -- remains unclear. Starting from two empirical principles -- that LLMs represent more things than the model dimensions (widths) they have (i.e., representations are superposed), and that words or concepts in language occur with varying frequencies -- we constructed a toy model to study the loss scaling with model size. We found that when superposition is weak, meaning only the most frequent features are represented without interference, the scaling of loss with model size depends on the underlying feature frequency; if feature frequencies follow a power law, so does the loss. In contrast, under strong superposition, where all features are represented but overlap with each other, the loss becomes inversely proportional to the model dimension across a wide range of feature frequency distributions. This robust scaling behavior is explained geometrically: when many more vectors are packed into a lower dimensional space, the interference (squared overlaps) between vectors scales inversely with that dimension. We then analyzed four families of open-sourced LLMs and found that they exhibit strong superposition and quantitatively match the predictions of our toy model. The Chinchilla scaling law turned out to also agree with our results. We conclude that representation superposition is an important mechanism underlying the observed neural scaling laws. We anticipate that these insights will inspire new training strategies and model architectures to achieve better performance with less computation and fewer parameters.

Control Map Distribution using Map Query Bank for Online Map Generation

Reliable autonomous driving systems require high-definition (HD) map that contains detailed map information for planning and navigation. However, pre-build HD map requires a large cost. Visual-based Online Map Generation (OMG) has become an alternative low-cost solution to build a local HD map. Query-based BEV Transformer has been a base model for this task. This model learns HD map predictions from an initial map queries distribution which is obtained by offline optimization on training set. Besides the quality of BEV feature, the performance of this model also highly relies on the capacity of initial map query distribution. However, this distribution is limited because the limited query number. To make map predictions optimal on each test sample, it is essential to generate a suitable initial distribution for each specific scenario. This paper proposes to decompose the whole HD map distribution into a set of point representations, namely map query bank (MQBank). To build specific map query initial distributions of different scenarios, low-cost standard definition map (SD map) data is introduced as a kind of prior knowledge. Moreover, each layer of map decoder network learns instance-level map query features, which will lose detailed information of each point. However, BEV feature map is a point-level dense feature. It is important to keep point-level information in map queries when interacting with BEV feature map. This can also be solved with map query bank method. Final experiments show a new insight on SD map prior and a new record on OpenLaneV2 benchmark with 40.5%, 45.7% mAP on vehicle lane and pedestrian area.

Do Two AI Scientists Agree?

When two AI models are trained on the same scientific task, do they learn the same theory or two different theories? Throughout history of science, we have witnessed the rise and fall of theories driven by experimental validation or falsification: many theories may co-exist when experimental data is lacking, but the space of survived theories become more constrained with more experimental data becoming available. We show the same story is true for AI scientists. With increasingly more systems provided in training data, AI scientists tend to converge in the theories they learned, although sometimes they form distinct groups corresponding to different theories. To mechanistically interpret what theories AI scientists learn and quantify their agreement, we propose MASS, Hamiltonian-Lagrangian neural networks as AI Scientists, trained on standard problems in physics, aggregating training results across many seeds simulating the different configurations of AI scientists. Our findings suggests for AI scientists switch from learning a Hamiltonian theory in simple setups to a Lagrangian formulation when more complex systems are introduced. We also observe strong seed dependence of the training dynamics and final learned weights, controlling the rise and fall of relevant theories. We finally demonstrate that not only can our neural networks aid interpretability, it can also be applied to higher dimensional problems.

Interpretable Machine Learning in Physics: A Review

Machine learning is increasingly transforming various scientific fields, enabled by advancements in computational power and access to large data sets from experiments and simulations. As artificial intelligence (AI) continues to grow in capability, these algorithms will enable many scientific discoveries beyond human capabilities. Since the primary goal of science is to understand the world around us, fully leveraging machine learning in scientific discovery requires models that are interpretable -- allowing experts to comprehend the concepts underlying machine-learned predictions. Successful interpretations increase trust in black-box methods, help reduce errors, allow for the improvement of the underlying models, enhance human-AI collaboration, and ultimately enable fully automated scientific discoveries that remain understandable to human scientists. This review examines the role of interpretability in machine learning applied to physics. We categorize different aspects of interpretability, discuss machine learning models in terms of both interpretability and performance, and explore the philosophical implications of interpretability in scientific inquiry. Additionally, we highlight recent advances in interpretable machine learning across many subfields of physics. By bridging boundaries between disciplines -- each with its own unique insights and challenges -- we aim to establish interpretable machine learning as a core research focus in science.

Harmonic Loss Trains Interpretable AI Models

In this paper, we introduce **harmonic loss** as an alternative to the standard cross-entropy loss for training neural networks and large language models (LLMs). Harmonic loss enables improved interpretability and faster convergence, owing to its scale invariance and finite convergence point by design, which can be interpreted as a class center. We first validate the performance of harmonic models across algorithmic, vision, and language datasets. Through extensive experiments, we demonstrate that models trained with harmonic loss outperform standard models by: (a) enhancing interpretability, (b) requiring less data for generalization, and (c) reducing grokking. Moreover, we compare a GPT-2 model trained with harmonic loss to the standard GPT-2, illustrating that the harmonic model develops more interpretable representations. Looking forward, we believe harmonic loss has the potential to become a valuable tool in domains with limited data availability or in high-stakes applications where interpretability and reliability are paramount, paving the way for more robust and efficient neural network models.

Physics of Skill Learning

We aim to understand physics of skill learning, i.e., how skills are learned in neural networks during training. We start by observing the Domino effect, i.e., skills are learned sequentially, and notably, some skills kick off learning right after others complete learning, similar to the sequential fall of domino cards. To understand the Domino effect and relevant behaviors of skill learning, we take physicists' approach of abstraction and simplification. We propose three models with varying complexities -- the Geometry model, the Resource model, and the Domino model, trading between reality and simplicity. The Domino effect can be reproduced in the Geometry model, whose resource interpretation inspires the Resource model, which can be further simplified to the Domino model. These models present different levels of abstraction and simplification; each is useful to study some aspects of skill learning. The Geometry model provides interesting insights into neural scaling laws and optimizers; the Resource model sheds light on the learning dynamics of compositional tasks; the Domino model reveals the benefits of modularity. These models are not only conceptually interesting -- e.g., we show how Chinchilla scaling laws can emerge from the Geometry model, but also are useful in practice by inspiring algorithmic development -- e.g., we show how simple algorithmic changes, motivated by these toy models, can speed up the training of deep learning models.

FOCUS: First Order Concentrated Updating Scheme

Large language models (LLMs) demonstrate remarkable performance, and improving their pre-training process appears to be key to enhancing their capabilities further. Based on the documented success of Adam, learning rate decay, and weight decay, we hypothesize that the pre-training loss landscape features a narrowing valley structure. Through experiments with synthetic loss functions, we discover that when gradient query noise is high relative to the valley's sharpness, Adam's performance falls behind that of Signum because Adam reduces the effective step size too drastically. This observation led us to develop FOCUS, an optimizer that enhances Signum by incorporating attraction toward moving averaged parameters, allowing it to handle noise better while maintaining larger step sizes. In training GPT-2, FOCUS proves to be more stable than Signum and faster than Adam. These results suggest that gradient noise may be an underappreciated limiting factor in LLM training, and FOCUS offers promising solutions.