Graph neural networks (GNNs) have become a core paradigm for learning on relational data. In materials science, equivariant GNNs (EGNNs) have emerged as a compelling backbone for crystalline-structure prediction, owing to their ability to respect Euclidean symmetries and periodic boundary conditions. Despite strong empirical performance, their expressive power in periodic, symmetry-constrained settings remains poorly understood. This work characterizes the intrinsic computational and expressive limits of EGNNs for crystalline-structure prediction through a circuit-complexity lens. We analyze the computations carried out by EGNN layers acting on node features, atomic coordinates, and lattice matrices, and prove that, under polynomial precision, embedding width $d=O(n)$ for $n$ nodes, $O(1)$ layers, and $O(1)$-depth, $O(n)$-width MLP instantiations of the message/update/readout maps, these models admit a simulation by a uniform $\mathsf{TC}^0$ threshold-circuit family of polynomial size (with an explicit constant-depth bound). Situating EGNNs within $\mathsf{TC}^0$ provides a concrete ceiling on the decision and prediction problems solvable by such architectures under realistic resource constraints and clarifies which architectural modifications (e.g., increased depth, richer geometric primitives, or wider layers) are required to transcend this regime. The analysis complements Weisfeiler-Lehman style results that do not directly transfer to periodic crystals, and offers a complexity-theoretic foundation for symmetry-aware graph learning on crystalline systems.

Generative modelling has seen significant advances through simulation-free paradigms such as Flow Matching, and in particular, the MeanFlow framework, which replaces instantaneous velocity fields with average velocities to enable efficient single-step sampling. In this work, we introduce a theoretical study on Second-Order MeanFlow, a novel extension that incorporates average acceleration fields into the MeanFlow objective. We first establish the feasibility of our approach by proving that the average acceleration satisfies a generalized consistency condition analogous to first-order MeanFlow, thereby supporting stable, one-step sampling and tractable loss functions. We then characterize its expressivity via circuit complexity analysis, showing that under mild assumptions, the Second-Order MeanFlow sampling process can be implemented by uniform threshold circuits within the $\mathsf{TC}^0$ class. Finally, we derive provably efficient criteria for scalable implementation by leveraging fast approximate attention computations: we prove that attention operations within the Second-Order MeanFlow architecture can be approximated to within $1/\mathrm{poly}(n)$ error in time $n^{2+o(1)}$. Together, these results lay the theoretical foundation for high-order flow matching models that combine rich dynamics with practical sampling efficiency.

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have achieved significant empirical success, their theoretical limitations remain an active area of research. Existing studies primarily focus on characterizing GNN expressiveness through Weisfeiler-Lehman (WL) graph isomorphism tests. In this paper, we take a fundamentally different approach by exploring the computational limitations of GNNs through the lens of circuit complexity. Specifically, we analyze the circuit complexity of common GNN architectures and prove that under constraints of constant-depth layers, linear or sublinear embedding sizes, and polynomial precision, GNNs cannot solve key problems such as graph connectivity and graph isomorphism unless $\mathsf{TC}^0 = \mathsf{NC}^1$. These results reveal the intrinsic expressivity limitations of GNNs behind their empirical success and introduce a novel framework for analyzing GNN expressiveness that can be extended to a broader range of GNN models and graph decision problems.

Understanding the expressive ability of a specific model is essential for grasping its capacity limitations. Recently, several studies have established circuit complexity bounds for Transformer architecture. Besides, the Visual AutoRegressive (VAR) model has risen to be a prominent method in the field of image generation, outperforming previous techniques, such as Diffusion Transformers, in generating high-quality images. We investigate the circuit complexity of the VAR model and establish a bound in this study. Our primary result demonstrates that the VAR model is equivalent to a simulation by a uniform $\mathsf{TC}^0$ threshold circuit with hidden dimension $d \leq O(n)$ and $\mathrm{poly}(n)$ precision. This is the first study to rigorously highlight the limitations in the expressive power of VAR models despite their impressive performance. We believe our findings will offer valuable insights into the inherent constraints of these models and guide the development of more efficient and expressive architectures in the future.

Tensor Attention extends traditional attention mechanisms by capturing high-order correlations across multiple modalities, addressing the limitations of classical matrix-based attention. Meanwhile, Rotary Position Embedding ($\mathsf{RoPE}$) has shown superior performance in encoding positional information in long-context scenarios, significantly enhancing transformer models' expressiveness. Despite these empirical successes, the theoretical limitations of these technologies remain underexplored. In this study, we analyze the circuit complexity of Tensor Attention and $\mathsf{RoPE}$-based Tensor Attention, showing that with polynomial precision, constant-depth layers, and linear or sublinear hidden dimension, they cannot solve fixed membership problems or $(A_{F,r})^*$ closure problems, under the assumption that $\mathsf{TC}^0 \neq \mathsf{NC}^1$. These findings highlight a gap between the empirical performance and theoretical constraints of Tensor Attention and $\mathsf{RoPE}$-based Tensor Attention Transformers, offering insights that could guide the development of more theoretically grounded approaches to Transformer model design and scaling.

In this paper, we analyze the computational limitations of Mamba and State-space Models (SSMs) by using the circuit complexity framework. Despite Mamba's stateful design and recent attention as a strong candidate to outperform Transformers, we have demonstrated that both Mamba and SSMs with $\mathrm{poly}(n)$-precision and constant-depth layers reside within the $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ complexity class. This result indicates Mamba has the same computational capabilities as Transformer theoretically, and it cannot solve problems like arithmetic formula problems, boolean formula value problems, and permutation composition problems if $\mathsf{TC}^0 \neq \mathsf{NC}^1$. Therefore, it challenges the assumption Mamba is more computationally expressive than Transformers. Our contributions include rigorous proofs showing that Selective SSM and Mamba architectures can be simulated by $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ circuits, and they cannot solve problems outside $\mathsf{TC}^0$.

Characterizing the express power of the Transformer architecture is critical to understanding its capacity limits and scaling law. Recent works provide the circuit complexity bounds to Transformer-like architecture. On the other hand, Rotary Position Embedding ($\mathsf{RoPE}$) has emerged as a crucial technique in modern large language models, offering superior performance in capturing positional information compared to traditional position embeddings, which shows great potential in application prospects, particularly for the long context scenario. Empirical evidence also suggests that $\mathsf{RoPE}$-based Transformer architectures demonstrate greater generalization capabilities compared to conventional Transformer models. In this work, we establish a circuit complexity bound for Transformers with $\mathsf{RoPE}$ attention. Our key contribution is that we show that unless $\mathsf{TC}^0 = \mathsf{NC}^1$, a $\mathsf{RoPE}$-based Transformer with $\mathrm{poly}(n)$-precision, $O(1)$ layers, hidden dimension $d \leq O(n)$ cannot solve the Arithmetic formula evaluation problem or the Boolean formula value problem. This result significantly demonstrates the fundamental limitation of the expressivity of the $\mathsf{RoPE}$-based Transformer architecture, although it achieves giant empirical success. Our theoretical result not only establishes the complexity bound but also may instruct further work on the $\mathsf{RoPE}$-based Transformer.