Stepsize anything: A unified learning rate schedule for budgeted-iteration training

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets.While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations.In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient.In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets.First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations.From this framework, we derive the UBA schedule, controlled by a single hyper-parameter $\varphi$ that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between $\varphi$ and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of $\varphi$.We offer practical guidelines for its selection via theoretical analysis and empirical results.xtensive experimental results show that UBA \textit{consistently surpasses} the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

Governing Equation Discovery from Data Based on Differential Invariants

The explicit governing equation is one of the simplest and most intuitive forms for characterizing physical laws. However, directly discovering partial differential equations (PDEs) from data poses significant challenges, primarily in determining relevant terms from a vast search space. Symmetry, as a crucial prior knowledge in scientific fields, has been widely applied in tasks such as designing equivariant networks and guiding neural PDE solvers. In this paper, we propose a pipeline for governing equation discovery based on differential invariants, which can losslessly reduce the search space of existing equation discovery methods while strictly adhering to symmetry. Specifically, we compute the set of differential invariants corresponding to the infinitesimal generators of the symmetry group and select them as the relevant terms for equation discovery. Taking DI-SINDy (SINDy based on Differential Invariants) as an example, we demonstrate that its success rate and accuracy in PDE discovery surpass those of other symmetry-informed governing equation discovery methods across a series of PDEs.

TransDF: Time-Series Forecasting Needs Transformed Label Alignment

Training time-series forecasting models presents unique challenges in designing effective learning objectives. Existing methods predominantly utilize the temporal mean squared error, which faces two critical challenges: (1) label autocorrelation, which leads to bias from the label sequence likelihood; (2) excessive amount of tasks, which increases with the forecast horizon and complicates optimization. To address these challenges, we propose Transform-enhanced Direct Forecast (TransDF), which transforms the label sequence into decorrelated components with discriminated significance. Models are trained to align the most significant components, thereby effectively mitigating label autocorrelation and reducing task amount. Extensive experiments demonstrate that TransDF achieves state-of-the-art performance and is compatible with various forecasting models. Code is available at https://anonymous.4open.science/r/TransDF-88CF.

On the $O(\frac{\sqrt{d}}{K^{1/4}})$ Convergence Rate of AdamW Measured by $\ell_1$ Norm

As the default optimizer for training large language models, AdamW has achieved remarkable success in deep learning. However, its convergence behavior is not theoretically well-understood. This paper establishes the convergence rate $\frac{1}{K}\sum_{k=1}^KE\left[\|\nabla f(x^k)\|_1\right]\leq O(\frac{\sqrt{d}C}{K^{1/4}})$ for AdamW measured by $\ell_1$ norm, where $K$ represents the iteration number, $d$ denotes the model dimension, and $C$ matches the constant in the optimal convergence rate of SGD. Theoretically, we have $E\left[\|\nabla f(x)\|_1\right]\geq\sqrt{\frac{2d}{\pi}}E\left[\|\nabla f(x)\|_2\right]$ when each element of $\nabla f(x)$ is generated from Gaussian distribution $\mathcal N(0,1)$. Empirically, our experimental results on real-world deep learning tasks reveal $\|\nabla f(x)\|_1=\varTheta(\sqrt{d})\|\nabla f(x)\|_2$. Both support that our convergence rate can be considered to be analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[\|\nabla f(x^k)\|_2\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD.

VACT: A Video Automatic Causal Testing System and a Benchmark

With the rapid advancement of text-conditioned Video Generation Models (VGMs), the quality of generated videos has significantly improved, bringing these models closer to functioning as ``*world simulators*'' and making real-world-level video generation more accessible and cost-effective. However, the generated videos often contain factual inaccuracies and lack understanding of fundamental physical laws. While some previous studies have highlighted this issue in limited domains through manual analysis, a comprehensive solution has not yet been established, primarily due to the absence of a generalized, automated approach for modeling and assessing the causal reasoning of these models across diverse scenarios. To address this gap, we propose VACT: an **automated** framework for modeling, evaluating, and measuring the causal understanding of VGMs in real-world scenarios. By combining causal analysis techniques with a carefully designed large language model assistant, our system can assess the causal behavior of models in various contexts without human annotation, which offers strong generalization and scalability. Additionally, we introduce multi-level causal evaluation metrics to provide a detailed analysis of the causal performance of VGMs. As a demonstration, we use our framework to benchmark several prevailing VGMs, offering insight into their causal reasoning capabilities. Our work lays the foundation for systematically addressing the causal understanding deficiencies in VGMs and contributes to advancing their reliability and real-world applicability.

Empowering LLMs with Logical Reasoning: A Comprehensive Survey

Large language models (LLMs) have achieved remarkable successes on various natural language tasks. However, recent studies have found that there are still significant challenges to the logical reasoning abilities of LLMs. This paper summarizes and categorizes the main challenges into two aspects: (1) Logical question answering, LLMs often fail to generate the correct answer within complex logical problem which requires sophisticated deductive, inductive or abductive reasoning given a collection of premises and constrains. (2) Logical consistency, LLMs are prone to producing responses contradicting themselves across different questions. For example, a state-of-the-art Macaw question-answering LLM answers Yes to both questions Is a magpie a bird? and Does a bird have wings? but answers No to Does a magpie have wings?. To facilitate this research direction, we comprehensively investigate the most cutting-edge methods and propose detailed taxonomies of these methods. Specifically, to accurately answer complex logic questions, previous methods can be categorized based on reliance on external solvers, prompts, pretraining, and fine-tuning. To avoid logical contradictions, we discuss concepts and solutions of various logical consistencies, including implication, negation, transitivity, factuality consistency, and their composites. In addition, we review commonly used benchmark datasets and evaluation metrics, and discuss promising research directions, such as extensions to modal logic to account for uncertainty, and efficient algorithms satisfying multiple logical consistencies simultaneously.

High-Rank Irreducible Cartesian Tensor Decomposition and Bases of Equivariant Spaces

Irreducible Cartesian tensors (ICTs) play a crucial role in the design of equivariant graph neural networks, as well as in theoretical chemistry and chemical physics. Meanwhile, the design space of available linear operations on tensors that preserve symmetry presents a significant challenge. The ICT decomposition and a basis of this equivariant space are difficult to obtain for high-order tensors. After decades of research, we recently achieve an explicit ICT decomposition for $n=5$ \citep{bonvicini2024irreducible} with factorial time/space complexity. This work, for the first time, obtains decomposition matrices for ICTs up to rank $n=9$ with reduced and affordable complexity, by constructing what we call path matrices. The path matrices are obtained via performing chain-like contraction with Clebsch-Gordan matrices following the parentage scheme. We prove and leverage that the concatenation of path matrices is an orthonormal change-of-basis matrix between the Cartesian tensor product space and the spherical direct sum spaces. Furthermore, we identify a complete orthogonal basis for the equivariant space, rather than a spanning set \citep{pearce2023brauer}, through this path matrices technique. We further extend our result to the arbitrary tensor product and direct sum spaces, enabling free design between different spaces while keeping symmetry. The Python code is available in https://github.com/ShihaoShao-GH/ICT-decomposition-and-equivariant-bases where the $n=6,\dots,9$ ICT decomposition matrices are obtained in 1s, 3s, 11s, and 4m32s, respectively.

Free the Design Space of Equivariant Graph Neural Networks: High-Rank Irreducible Cartesian Tensor Decomposition and Bases of Equivariant Spaces

Irreducible Cartesian tensors (ICTs) play a crucial role in the design of equivariant graph neural networks, as well as in theoretical chemistry and chemical physics. Meanwhile, the design space of available linear operations on tensors that preserve symmetry presents a significant challenge. The ICT decomposition and a basis of this equivariant space are difficult to obtain for high-order tensors. After decades of research, we recently achieve an explicit ICT decomposition for $n=5$ \citep{bonvicini2024irreducible} with factorial time/space complexity. This work, for the first time, obtains decomposition matrices for ICTs up to rank $n=9$ with reduced and affordable complexity, by constructing what we call path matrices. The path matrices are obtained via performing chain-like contraction with Clebsch-Gordan matrices following the parentage scheme. We prove and leverage that the concatenation of path matrices is an orthonormal change-of-basis matrix between the Cartesian tensor product space and the spherical direct sum spaces. Furthermore, we identify a complete orthogonal basis for the equivariant space, rather than a spanning set \citep{pearce2023brauer}, through this path matrices technique. We further extend our result to the arbitrary tensor product and direct sum spaces, enabling free design between different spaces while keeping symmetry. The Python code is available in the appendix where the $n=6,\dots,9$ ICT decomposition matrices are obtained in <0.1s, 0.5s, 1s, 3s, 11s, and 4m32s, respectively.

GL-Fusion: Rethinking the Combination of Graph Neural Network and Large Language model

Recent research on integrating Large Language Models (LLMs) with Graph Neural Networks (GNNs) typically follows two approaches: LLM-centered models, which convert graph data into tokens for LLM processing, and GNN-centered models, which use LLMs to encode text features into node and edge representations for GNN input. LLM-centered models often struggle to capture graph structures effectively, while GNN-centered models compress variable-length textual data into fixed-size vectors, limiting their ability to understand complex semantics. Additionally, GNN-centered approaches require converting tasks into a uniform, manually-designed format, restricting them to classification tasks and preventing language output. To address these limitations, we introduce a new architecture that deeply integrates GNN with LLM, featuring three key innovations: (1) Structure-Aware Transformers, which incorporate GNN's message-passing capabilities directly into LLM's transformer layers, allowing simultaneous processing of textual and structural information and generating outputs from both GNN and LLM; (2) Graph-Text Cross-Attention, which processes full, uncompressed text from graph nodes and edges, ensuring complete semantic integration; and (3) GNN-LLM Twin Predictor, enabling LLM's flexible autoregressive generation alongside GNN's scalable one-pass prediction. GL-Fusion achieves outstand performance on various tasks. Notably, it achieves state-of-the-art performance on OGBN-Arxiv and OGBG-Code2.

Convergence Rate Analysis of LION

The LION (evoLved sIgn mOmeNtum) optimizer for deep neural network training was found by Google via program search, with the simple sign update yet showing impressive performance in training large scale networks. Although previous studies have investigated its convergence properties, a comprehensive analysis, especially the convergence rate, is still desirable. Recognizing that LION can be regarded as solving a specific constrained problem, this paper focuses on demonstrating its convergence to the Karush-Kuhn-Tucker (KKT) point at the rate of $\cal O(\sqrt{d}K^{-1/4})$ measured by gradient $\ell_1$ norm, where $d$ is the problem dimension and $K$ is the number of iteration steps. Step further, we remove the constraint and establish that LION converges to the critical point of the general unconstrained problem at the same rate. This rate not only delivers the currently optimal dependence on the problem dimension $d$ but also tightly matches the theoretical lower bound for nonconvex stochastic optimization algorithms, which is typically measured using the gradient $\ell_2$ norm, with respect to the number of iterations $K$. Through extensive experiments, we not only demonstrate that LION achieves lower loss and higher performance compared to standard SGD, but also empirically confirm that the gradient $\ell_1/\ell_2$ norm ratio aligns with $\Theta(\sqrt{d})$, thus proving that our convergence rate matches the theoretical lower bound with respect to $d$ in the empirical sense.