arXiv subjects

Ziming Liu

Publications and source records attributed to Ziming Liu.

At least 55 records · Page 3Linked to original sources

arXiv2025

Harmonic Loss Trains Interpretable AI Models

In this paper, we introduce harmonic loss as an alternative supervisory signal for training neural networks and large language models (LLMs). Harmonic loss differs from standard cross-entropy loss by (a) replacing the usual SoftMax normalization with a scale-invariant HarMax function and (b) computing logits via Euclidean distance rather than a dot product. 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 perform better than 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 may 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.

cs.LG↗

arXiv2025

HelixPipe: Efficient Distributed Training of Long Sequence Transformers with Attention Parallel Pipeline Parallelism

As transformer sequence lengths grow, existing pipeline parallelisms incur suboptimal performance due to the quadratic attention computation and the substantial memory overhead. To relieve these challenges, we propose HelixPipe, a novel pipeline parallelism for long sequence transformer training. First, HelixPipe introduces attention parallel partition, which schedules attention computations of different micro batches across different pipeline stages in parallel, reducing pipeline bubbles. Second, it employs a two-fold first-in-last-out micro batch schedule to balance memory usage and overlap communication with computation. Additionally, HelixPipe utilizes recomputation without attention and chunked MLP to mitigate fragmentation and enable longer sequences. Experiments demonstrate that HelixPipe gains increasing advantages with longer sequence lengths, and outperforms existing methods in throughput and scalability across varying pipeline sizes, model sizes, and cluster configurations. Notably, it achieves a 26\% speedup over baseline methods when training a 7B model with 128k sequence length on 64 H20 GPUs. Code is available at https://github.com/code-tunnel/Megatron-LM/tree/dev.

cs.LG↗

arXiv2025

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.

cs.LG↗

arXiv2025

Fokker-Planck to Callan-Symanzik: evolution of weight matrices under training

The dynamical evolution of a neural network during training has been an incredibly fascinating subject of study. First principal derivation of generic evolution of variables in statistical physics systems has proved useful when used to describe training dynamics conceptually, which in practice means numerically solving equations such as Fokker-Planck equation. Simulating entire networks inevitably runs into the curse of dimensionality. In this paper, we utilize Fokker-Planck to simulate the probability density evolution of individual weight matrices in the bottleneck layers of a simple 2-bottleneck-layered auto-encoder and compare the theoretical evolutions against the empirical ones by examining the output data distributions. We also derive physically relevant partial differential equations such as Callan-Symanzik and Kardar-Parisi-Zhang equations from the dynamical equation we have.

cs.LG↗

arXiv2025

Second Order Ensemble Langevin Method for Sampling and Inverse Problems

We propose a sampling method based on an ensemble approximation of second order Langevin dynamics. The log target density is appended with a quadratic term in an auxiliary momentum variable and damped-driven Hamiltonian dynamics introduced; the resulting stochastic differential equation is invariant to the Gibbs measure, with marginal on the position coordinates given by the target. A preconditioner based on covariance under the law of the dynamics does not change this invariance property, and is introduced to accelerate convergence to the Gibbs measure. The resulting mean-field dynamics may be approximated by an ensemble method; this results in a gradient-free and affine-invariant stochastic dynamical system. Numerical results demonstrate its potential as the basis for a numerical sampler in Bayesian inverse problems.

math.DS↗

arXiv2025

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.

cs.CV↗

arXiv2025

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.

cs.LG↗

arXiv2025

DSP: Dynamic Sequence Parallelism for Multi-Dimensional Transformers

Scaling multi-dimensional transformers to long sequences is indispensable across various domains. However, the challenges of large memory requirements and slow speeds of such sequences necessitate sequence parallelism. All existing approaches fall under the category of embedded sequence parallelism, which are limited to shard along a single sequence dimension, thereby introducing significant communication overhead. However, the nature of multi-dimensional transformers involves independent calculations across multiple sequence dimensions. To this end, we propose Dynamic Sequence Parallelism (DSP) as a novel abstraction of sequence parallelism. DSP dynamically switches the parallel dimension among all sequences according to the computation stage with efficient resharding strategy. DSP offers significant reductions in communication costs, adaptability across modules, and ease of implementation with minimal constraints. Experimental evaluations demonstrate DSP's superiority over state-of-the-art embedded sequence parallelism methods by remarkable throughput improvements ranging from 32.2% to 10x, with less than 25% communication volume.

cs.DC↗

arXiv2025

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.

cs.CV↗

arXiv2025

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.

cs.AI↗

arXiv2025

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.

physics.comp-ph↗

arXiv2025

GenEFT: Understanding Statics and Dynamics of Model Generalization via Effective Theory

We present GenEFT: an effective theory framework for shedding light on the statics and dynamics of neural network generalization, and illustrate it with graph learning examples. We first investigate the generalization phase transition as data size increases, comparing experimental results with information-theory-based approximations. We find generalization in a Goldilocks zone where the decoder is neither too weak nor too powerful. We then introduce an effective theory for the dynamics of representation learning, where latent-space representations are modeled as interacting particles (repons), and find that it explains our experimentally observed phase transition between generalization and overfitting as encoder and decoder learning rates are scanned. This highlights the power of physics-inspired effective theories for bridging the gap between theoretical predictions and practice in machine learning.

cs.LG↗

arXiv2025

FEASTS Combined with Interferometry (IV): Mapping HI Emission to a limit of $N_{\text{HI}}=10^{17.7} \text{cm}^{-2}$ in Seven Edge-on Galaxies

We present a statistical study of the neutral atomic hydrogen (HI) gas extending into the circumgalactic medium perpendicular to the disk for 7 edge-on galaxies with inclinations above $85^{\circ}$ from the FEASTS program with a $3σ$ ($20\,\text{km}\,\text{s}^{-1}$) column density ($N_{\text{HI}}$) depth of $5\times10^{17} \text{cm}^{-2}$. We develop two photometric methods to separate the extraplanar HI from the disk component, based on existing interferometric data and parametric modeling of the disk flux distribution respectively. With both methods, the FEASTS data exhibit clear extended wings beyond the disk along the minor axis. The extraplanar HI accounts for 5% to 20% of the total HI mass and extends to $20\text{-}50$ kpc at $N_{\text{HI}}=10^{18} \text{cm}^{-2}$. We find a tight positive correlation between vertical extensions of the extraplanar HI and total HI mass $M_\text{HI}$. The iso-density shape of HI at $N_{\text{HI}}=10^{18} \text{cm}^{-2}$ has an average axis ratio of $0.56\pm0.11$. The off-disk $N_{\text{HI}}$ profiles of these edge-on galaxies well represent the lower envelop of previous Lyman-$α$ absorption measurements at low-redshift. Our results suggest that at $N_{\text{HI}}=5\times10^{17} \text{cm}^{-2}$, the HI extends considerably further than the known thin and thick disks in the vertical direction, but still remains much flattener than a spherical distribution, consistent with theoretical expectations that outflow, circulation, and accretion should have different impacts in these two directions. We show the tension of our results with Illustris and TNG predictions, highlighting the constraining power of our results for future simulations.

astro-ph.GA↗

arXiv2025

KAN: Kolmogorov-Arnold Networks

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

cs.LG↗

arXiv2025

On the expressiveness and spectral bias of KANs

Kolmogorov-Arnold Networks (KAN) \cite{liu2024kan} were very recently proposed as a potential alternative to the prevalent architectural backbone of many deep learning models, the multi-layer perceptron (MLP). KANs have seen success in various tasks of AI for science, with their empirical efficiency and accuracy demostrated in function regression, PDE solving, and many more scientific problems. In this article, we revisit the comparison of KANs and MLPs, with emphasis on a theoretical perspective. On the one hand, we compare the representation and approximation capabilities of KANs and MLPs. We establish that MLPs can be represented using KANs of a comparable size. This shows that the approximation and representation capabilities of KANs are at least as good as MLPs. Conversely, we show that KANs can be represented using MLPs, but that in this representation the number of parameters increases by a factor of the KAN grid size. This suggests that KANs with a large grid size may be more efficient than MLPs at approximating certain functions. On the other hand, from the perspective of learning and optimization, we study the spectral bias of KANs compared with MLPs. We demonstrate that KANs are less biased toward low frequencies than MLPs. We highlight that the multi-level learning feature specific to KANs, i.e. grid extension of splines, improves the learning process for high-frequency components. Detailed comparisons with different choices of depth, width, and grid sizes of KANs are made, shedding some light on how to choose the hyperparameters in practice.

cs.LG↗

arXiv2025

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.

cs.LG↗

arXiv2025

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.

cs.LG↗

arXiv2024

Financial Risk Assessment via Long-term Payment Behavior Sequence Folding

Online inclusive financial services encounter significant financial risks due to their expansive user base and low default costs. By real-world practice, we reveal that utilizing longer-term user payment behaviors can enhance models' ability to forecast financial risks. However, learning long behavior sequences is non-trivial for deep sequential models. Additionally, the diverse fields of payment behaviors carry rich information, requiring thorough exploitation. These factors collectively complicate the task of long-term user behavior modeling. To tackle these challenges, we propose a Long-term Payment Behavior Sequence Folding method, referred to as LBSF. In LBSF, payment behavior sequences are folded based on merchants, using the merchant field as an intrinsic grouping criterion, which enables informative parallelism without reliance on external knowledge. Meanwhile, we maximize the utility of payment details through a multi-field behavior encoding mechanism. Subsequently, behavior aggregation at the merchant level followed by relational learning across merchants facilitates comprehensive user financial representation. We evaluate LBSF on the financial risk assessment task using a large-scale real-world dataset. The results demonstrate that folding long behavior sequences based on internal behavioral cues effectively models long-term patterns and changes, thereby generating more accurate user financial profiles for practical applications.

cs.CY↗