Sizhuang He

Sizhuang He, Yangtian Zhang, Shiyang Zhang et al.

The finite symmetric group S_n provides a natural domain for permutations, yet learning probability distributions on S_n is challenging due to its factorially growing size and discrete, non-Euclidean structure. Recent permutation diffusion methods define forward noising via shuffle-based random walks (e.g., riffle shuffles) and learn reverse transitions with Plackett-Luce (PL) variants, but the resulting trajectories can be abrupt and increasingly hard to denoise as n grows. We propose Soft-Rank Diffusion, a discrete diffusion framework that replaces shuffle-based corruption with a structured soft-rank forward process: we lift permutations to a continuous latent representation of order by relaxing discrete ranks into soft ranks, yielding smoother and more tractable trajectories. For the reverse process, we introduce contextualized generalized Plackett-Luce (cGPL) denoisers that generalize prior PL-style parameterizations and improve expressivity for sequential decision structures. Experiments on sorting and combinatorial optimization benchmarks show that Soft-Rank Diffusion consistently outperforms prior diffusion baselines, with particularly strong gains in long-sequence and intrinsically sequential settings.

Zhikai Wu, Sifan Wang, Shiyang Zhang et al.

Operator learning for time-dependent partial differential equations (PDEs) has seen rapid progress in recent years, enabling efficient approximation of complex spatiotemporal dynamics. However, most existing methods rely on fixed time step sizes during rollout, which limits their ability to adapt to varying temporal complexity and often leads to error accumulation. Here, we propose the Time-Adaptive Transformer with Neural Taylor Expansion (TANTE), a novel operator-learning framework that produces continuous-time predictions with adaptive step sizes. TANTE predicts future states by performing a Taylor expansion at the current state, where neural networks learn both the higher-order temporal derivatives and the local radius of convergence. This allows the model to dynamically adjust its rollout based on the local behavior of the solution, thereby reducing cumulative error and improving computational efficiency. We demonstrate the effectiveness of TANTE across a wide range of PDE benchmarks, achieving superior accuracy and adaptability compared to fixed-step baselines, delivering accuracy gains of 60-80 % and speed-ups of 30-40 % at inference time. The code is publicly available at https://github.com/zwu88/TANTE for transparency and reproducibility.

Emanuele Zappala, Daniel Levine, Sizhuang He et al.

Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis. By framing neural networks as operators with fixed points representing desired solutions, we develop a theoretical framework grounded in iterative methods for operator equations. Under defined conditions, we present convergence proofs based on fixed point theory. We demonstrate that popular architectures, such as diffusion models and AlphaFold, inherently employ iterative operator learning. Empirical assessments highlight that performing iterations through network operators improves performance. We also introduce an iterative graph neural network, PIGN, that further demonstrates benefits of iterations. Our work aims to enhance the understanding of deep learning by merging insights from numerical analysis, potentially guiding the design of future networks with clearer theoretical underpinnings and improved performance.

Josue Ortega Caro, Yongxu Zhang, Hannah M Batchelor et al.

Many biological systems evolve through continuous local dynamics while switching between latent regimes defined by learning, stimulus context, internal state, or developmental stage. These processes are often observed only as unpaired longitudinal snapshots: the same cells, neurons, or animals are not tracked as matched trajectories, even though population states are sampled across successive stages. This creates two coupled challenges. First, trajectories must respect curved low-dimensional manifolds embedded in high-dimensional biological measurements. Second, the model must identify when the transport mechanism itself changes. We introduce FLUX (FLow matching for Unpaired longitudinal data with miXture-of-experts), a geometry-aware longitudinal flow-matching framework for joint transport modeling and unsupervised regime discovery. FLUX learns a data-dependent metric from pooled labeled and unlabeled observations, uses that metric to construct geometry-aware conditional paths between adjacent marginals, and decomposes the resulting velocity field into sparse expert vector fields selected by a Straight-Through Gumbel-Softmax router. Across manifold controls, a regime-switching Lorenz system, widefield cortical calcium imaging during associative learning, and embryoid body single-cell differentiation, FLUX reconstructs longitudinal transport while recovering interpretable regime structure. Ablations show that mixture-of-experts routing alone is insufficient: FLUX without geometric learning can fit local transport but fails or weakens regime discovery when regimes are encoded in local dynamics. These results suggest that geometry-aware velocity decomposition provides a general strategy for discovering latent biological state transitions from unpaired longitudinal snapshots.

Yangtian Zhang, Sizhuang He, Daniel Levine et al.

Discrete diffusion models offer a flexible, controllable approach to structured sequence generation, yet they still lag behind causal language models in expressive power. A key limitation lies in their reliance on the Markovian assumption, which restricts each step to condition only on the current state, leading to potential uncorrectable error accumulation. In this paper, we introduce CaDDi (Causal Discrete Diffusion Model), a discrete diffusion model that conditions on the entire generative trajectory, thereby lifting the Markov constraint and allowing the model to revisit and improve past states. By unifying sequential (causal) and temporal (diffusion) reasoning in a single non-Markovian transformer, CaDDi also treats standard causal language models as a special case and permits the direct reuse of pretrained LLM weights with no architectural changes. Empirically, CaDDi outperforms state-of-the-art discrete diffusion baselines on natural-language benchmarks, substantially narrowing the remaining gap to large autoregressive transformers.