MIT
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.