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.

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.

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.

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.

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.

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.

Epsilon: Exploring Comprehensive Visual-Semantic Projection for Multi-Label Zero-Shot Learning

This paper investigates a challenging problem of zero-shot learning in the multi-label scenario (MLZSL), wherein the model is trained to recognize multiple unseen classes within a sample (e.g., an image) based on seen classes and auxiliary knowledge, e.g., semantic information. Existing methods usually resort to analyzing the relationship of various seen classes residing in a sample from the dimension of spatial or semantic characteristics and transferring the learned model to unseen ones. However, they neglect the integrity of local and global features. Although the use of the attention structure will accurately locate local features, especially objects, it will significantly lose its integrity, and the relationship between classes will also be affected. Rough processing of global features will also directly affect comprehensiveness. This neglect will make the model lose its grasp of the main components of the image. Relying only on the local existence of seen classes during the inference stage introduces unavoidable bias. In this paper, we propose a novel and comprehensive visual-semantic framework for MLZSL, dubbed Epsilon, to fully make use of such properties and enable a more accurate and robust visual-semantic projection. In terms of spatial information, we achieve effective refinement by group aggregating image features into several semantic prompts. It can aggregate semantic information rather than class information, preserving the correlation between semantics. In terms of global semantics, we use global forward propagation to collect as much information as possible to ensure that semantics are not omitted. Experiments on large-scale MLZSL benchmark datasets NUS-Wide and Open-Images-v4 demonstrate that the proposed Epsilon outperforms other state-of-the-art methods with large margins.

How Diffusion Models Learn to Factorize and Compose

Diffusion models are capable of generating photo-realistic images that combine elements which likely do not appear together in the training set, demonstrating the ability to compositionally generalize. Nonetheless, the precise mechanism of compositionality and how it is acquired through training remains elusive. Inspired by cognitive neuroscientific approaches, we consider a highly reduced setting to examine whether and when diffusion models learn semantically meaningful and factorized representations of composable features. We performed extensive controlled experiments on conditional Denoising Diffusion Probabilistic Models (DDPMs) trained to generate various forms of 2D Gaussian data. We found that the models learn factorized but not fully continuous manifold representations for encoding continuous features of variation underlying the data. With such representations, models demonstrate superior feature compositionality but limited ability to interpolate over unseen values of a given feature. Our experimental results further demonstrate that diffusion models can attain compositionality with few compositional examples, suggesting a more efficient way to train DDPMs. Finally, we connect manifold formation in diffusion models to percolation theory in physics, offering insight into the sudden onset of factorized representation learning. Our thorough toy experiments thus contribute a deeper understanding of how diffusion models capture compositional structure in data.

KAN 2.0: Kolmogorov-Arnold Networks Meet Science

A major challenge of AI + Science lies in their inherent incompatibility: today's AI is primarily based on connectionism, while science depends on symbolism. To bridge the two worlds, we propose a framework to seamlessly synergize Kolmogorov-Arnold Networks (KANs) and science. The framework highlights KANs' usage for three aspects of scientific discovery: identifying relevant features, revealing modular structures, and discovering symbolic formulas. The synergy is bidirectional: science to KAN (incorporating scientific knowledge into KANs), and KAN to science (extracting scientific insights from KANs). We highlight major new functionalities in the pykan package: (1) MultKAN: KANs with multiplication nodes. (2) kanpiler: a KAN compiler that compiles symbolic formulas into KANs. (3) tree converter: convert KANs (or any neural networks) to tree graphs. Based on these tools, we demonstrate KANs' capability to discover various types of physical laws, including conserved quantities, Lagrangians, symmetries, and constitutive laws.

Survival of the Fittest Representation: A Case Study with Modular Addition

When a neural network can learn multiple distinct algorithms to solve a task, how does it "choose" between them during training? To approach this question, we take inspiration from ecology: when multiple species coexist, they eventually reach an equilibrium where some survive while others die out. Analogously, we suggest that a neural network at initialization contains many solutions (representations and algorithms), which compete with each other under pressure from resource constraints, with the "fittest" ultimately prevailing. To investigate this Survival of the Fittest hypothesis, we conduct a case study on neural networks performing modular addition, and find that these networks' multiple circular representations at different Fourier frequencies undergo such competitive dynamics, with only a few circles surviving at the end. We find that the frequencies with high initial signals and gradients, the "fittest," are more likely to survive. By increasing the embedding dimension, we also observe more surviving frequencies. Inspired by the Lotka-Volterra equations describing the dynamics between species, we find that the dynamics of the circles can be nicely characterized by a set of linear differential equations. Our results with modular addition show that it is possible to decompose complicated representations into simpler components, along with their basic interactions, to offer insight on the training dynamics of representations.