Structured Unitary Tensor Network Representations for Circuit-Efficient Quantum Data Encoding

Encoding classical data into quantum states is a central bottleneck in quantum machine learning: many widely used encodings are circuit-inefficient, requiring deep circuits and substantial quantum resources, which limits scalability on quantum hardware. In this work, we propose TNQE, a circuit-efficient quantum data encoding framework built on structured unitary tensor network (TN) representations. TNQE first represents each classical input via a TN decomposition and then compiles the resulting tensor cores into an encoding circuit through two complementary core-to-circuit strategies. To make this compilation trainable while respecting the unitary nature of quantum operations, we introduce a unitary-aware constraint that parameterizes TN cores as learnable block unitaries, enabling them to be directly optimized and directly encoded as quantum operators. The proposed TNQE framework enables explicit control over circuit depth and qubit resources, allowing the construction of shallow, resource-efficient circuits. Across a range of benchmarks, TNQE achieves encoding circuits as shallow as $0.04\times$ the depth of amplitude encoding, while naturally scaling to high-resolution images ($256 \times 256$) and demonstrating practical feasibility on real quantum hardware.

Muon with Spectral Guidance: Efficient Optimization for Scientific Machine Learning

Physics-informed neural networks and neural operators often suffer from severe optimization difficulties caused by ill-conditioned gradients, multi-scale spectral behavior, and stiffness induced by physical constraints. Recently, the Muon optimizer has shown promise by performing orthogonalized updates in the singular-vector basis of the gradient, thereby improving geometric conditioning. However, its unit-singular-value updates may lead to overly aggressive steps and lack explicit stability guarantees when applied to physics-informed learning. In this work, we propose SpecMuon, a spectral-aware optimizer that integrates Muon's orthogonalized geometry with a mode-wise relaxed scalar auxiliary variable (RSAV) mechanism. By decomposing matrix-valued gradients into singular modes and applying RSAV updates individually along dominant spectral directions, SpecMuon adaptively regulates step sizes according to the global loss energy while preserving Muon's scale-balancing properties. This formulation interprets optimization as a multi-mode gradient flow and enables principled control of stiff spectral components. We establish rigorous theoretical properties of SpecMuon, including a modified energy dissipation law, positivity and boundedness of auxiliary variables, and global convergence with a linear rate under the Polyak-Lojasiewicz condition. Numerical experiments on physics-informed neural networks, DeepONets, and fractional PINN-DeepONets demonstrate that SpecMuon achieves faster convergence and improved stability compared with Adam, AdamW, and the original Muon optimizer on benchmark problems such as the one-dimensional Burgers equation and fractional partial differential equations.

Neural-POD: A Plug-and-Play Neural Operator Framework for Infinite-Dimensional Functional Nonlinear Proper Orthogonal Decomposition

The rapid development of AI for Science is often hindered by the "discretization", where learned representations remain restricted to the specific grids or resolutions used during training. We propose the Neural Proper Orthogonal Decomposition (Neural-POD), a plug-and-play neural operator framework that constructs nonlinear, orthogonal basis functions in infinite-dimensional space using neural networks. Unlike the classical Proper Orthogonal Decomposition (POD), which is limited to linear subspace approximations obtained through singular value decomposition (SVD), Neural-POD formulates basis construction as a sequence of residual minimization problems solved through neural network training. Each basis function is obtained by learning to represent the remaining structure in the data, following a process analogous to Gram--Schmidt orthogonalization. This neural formulation introduces several key advantages over classical POD: it enables optimization in arbitrary norms (e.g., $L^2$, $L^1$), learns mappings between infinite-dimensional function spaces that is resolution-invariant, generalizes effectively to unseen parameter regimes, and inherently captures nonlinear structures in complex spatiotemporal systems. The resulting basis functions are interpretable, reusable, and enabling integration into both reduced order modeling (ROM) and operator learning frameworks such as deep operator learning (DeepONet). We demonstrate the robustness of Neural-POD with different complex spatiotemporal systems, including the Burgers' and Navier-Stokes equations. We further show that Neural-POD serves as a high performance, plug-and-play bridge between classical Galerkin projection and operator learning that enables consistent integration with both projection-based reduced order models and DeepONet frameworks.

$f$-GRPO and Beyond: Divergence-Based Reinforcement Learning Algorithms for General LLM Alignment

Recent research shows that Preference Alignment (PA) objectives act as divergence estimators between aligned (chosen) and unaligned (rejected) response distributions. In this work, we extend this divergence-based perspective to general alignment settings, such as reinforcement learning with verifiable rewards (RLVR), where only environmental rewards are available. Within this unified framework, we propose $f$-Group Relative Policy Optimization ($f$-GRPO), a class of on-policy reinforcement learning, and $f$-Hybrid Alignment Loss ($f$-HAL), a hybrid on/off policy objectives, for general LLM alignment based on variational representation of $f$-divergences. We provide theoretical guarantees that these classes of objectives improve the average reward after alignment. Empirically, we validate our framework on both RLVR (Math Reasoning) and PA tasks (Safety Alignment), demonstrating superior performance and flexibility compared to current methods.

Ultra Fast PDE Solving via Physics Guided Few-step Diffusion

Diffusion-based models have demonstrated impressive accuracy and generalization in solving partial differential equations (PDEs). However, they still face significant limitations, such as high sampling costs and insufficient physical consistency, stemming from their many-step iterative sampling mechanism and lack of explicit physics constraints. To address these issues, we propose Phys-Instruct, a novel physics-guided distillation framework which not only (1) compresses a pre-trained diffusion PDE solver into a few-step generator via matching generator and prior diffusion distributions to enable rapid sampling, but also (2) enhances the physics consistency by explicitly injecting PDE knowledge through a PDE distillation guidance. Physic-Instruct is built upon a solid theoretical foundation, leading to a practical physics-constrained training objective that admits tractable gradients. Across five PDE benchmarks, Phys-Instruct achieves orders-of-magnitude faster inference while reducing PDE error by more than 8 times compared to state-of-the-art diffusion baselines. Moreover, the resulting unconditional student model functions as a compact prior, enabling efficient and physically consistent inference for various downstream conditional tasks. Our results indicate that Phys-Instruct is a novel, effective, and efficient framework for ultra-fast PDE solving powered by deep generative models.

ATLAS : Adaptive Self-Evolutionary Research Agent with Task-Distributed Multi-LLM Supporters

Recent multi-LLM agent systems perform well in prompt optimization and automated problem-solving, but many either keep the solver frozen after fine-tuning or rely on a static preference-optimization loop, which becomes intractable for long-horizon tasks. We propose ATLAS (Adaptive Task-distributed Learning for Agentic Self-evolution), a task-distributed framework that iteratively develops a lightweight research agent while delegating complementary roles to specialized supporter agents for exploration, hyperparameter tuning, and reference policy management. Our core algorithm, Evolving Direct Preference Optimization (EvoDPO), adaptively updates the phase-indexed reference policy. We provide a theoretical regret analysis for a preference-based contextual bandit under concept drift. In addition, experiments were conducted on non-stationary linear contextual bandits and scientific machine learning (SciML) loss reweighting for the 1D Burgers' equation. Both results show that ATLAS improves stability and performance over a static single-agent baseline.

Task-tailored Pre-processing: Fair Downstream Supervised Learning

Fairness-aware machine learning has recently attracted various communities to mitigate discrimination against certain societal groups in data-driven tasks. For fair supervised learning, particularly in pre-processing, there have been two main categories: data fairness and task-tailored fairness. The former directly finds an intermediate distribution among the groups, independent of the type of the downstream model, so a learned downstream classification/regression model returns similar predictive scores to individuals inputting the same covariates irrespective of their sensitive attributes. The latter explicitly takes the supervised learning task into account when constructing the pre-processing map. In this work, we study algorithmic fairness for supervised learning and argue that the data fairness approaches impose overly strong regularization from the perspective of the HGR correlation. This motivates us to devise a novel pre-processing approach tailored to supervised learning. We account for the trade-off between fairness and utility in obtaining the pre-processing map. Then we study the behavior of arbitrary downstream supervised models learned on the transformed data to find sufficient conditions to guarantee their fairness improvement and utility preservation. To our knowledge, no prior work in the branch of task-tailored methods has theoretically investigated downstream guarantees when using pre-processed data. We further evaluate our framework through comparison studies based on tabular and image data sets, showing the superiority of our framework which preserves consistent trade-offs among multiple downstream models compared to recent competing models. Particularly for computer vision data, we see our method alters only necessary semantic features related to the central machine learning task to achieve fairness.

ICP-4D: Bridging Iterative Closest Point and LiDAR Panoptic Segmentation

Dominant paradigms for 4D LiDAR panoptic segmentation are usually required to train deep neural networks with large superimposed point clouds or design dedicated modules for instance association. However, these approaches perform redundant point processing and consequently become computationally expensive, yet still overlook the rich geometric priors inherently provided by raw point clouds. To this end, we introduce ICP-4D, a simple yet effective training-free framework that unifies spatial and temporal reasoning through geometric relations among instance-level point sets. Specifically, we apply the Iterative Closest Point (ICP) algorithm to directly associate temporally consistent instances by aligning the source and target point sets through the estimated transformation. To stabilize association under noisy instance predictions, we introduce a Sinkhorn-based soft matching. This exploits the underlying instance distribution to obtain accurate point-wise correspondences, resulting in robust geometric alignment. Furthermore, our carefully designed pipeline, which considers three instance types-static, dynamic, and missing-offers computational efficiency and occlusion-aware matching. Our extensive experiments across both SemanticKITTI and panoptic nuScenes demonstrate that our method consistently outperforms state-of-the-art approaches, even without additional training or extra point cloud inputs.

Rethinking Langevin Thompson Sampling from A Stochastic Approximation Perspective

Most existing approximate Thompson Sampling (TS) algorithms for multi-armed bandits use Stochastic Gradient Langevin Dynamics (SGLD) or its variants in each round to sample from the posterior, relaxing the need for conjugacy assumptions between priors and reward distributions in vanilla TS. However, they often require approximating a different posterior distribution in different round of the bandit problem. This requires tricky, round-specific tuning of hyperparameters such as dynamic learning rates, causing challenges in both theoretical analysis and practical implementation. To alleviate this non-stationarity, we introduce TS-SA, which incorporates stochastic approximation (SA) within the TS framework. In each round, TS-SA constructs a posterior approximation only using the most recent reward(s), performs a Langevin Monte Carlo (LMC) update, and applies an SA step to average noisy proposals over time. This can be interpreted as approximating a stationary posterior target throughout the entire algorithm, which further yields a fixed step-size, a unified convergence analysis framework, and improved posterior estimates through temporal averaging. We establish near-optimal regret bounds for TS-SA, with a simplified and more intuitive theoretical analysis enabled by interpreting the entire algorithm as a simulation of a stationary SGLD process. Our empirical results demonstrate that even a single-step Langevin update with certain warm-up outperforms existing methods substantially on bandit tasks.

Physics Informed Constrained Learning of Dynamics from Static Data

A physics-informed neural network (PINN) models the dynamics of a system by integrating the governing physical laws into the architecture of a neural network. By enforcing physical laws as constraints, PINN overcomes challenges with data scarsity and potentially high dimensionality. Existing PINN frameworks rely on fully observed time-course data, the acquisition of which could be prohibitive for many systems. In this study, we developed a new PINN learning paradigm, namely Constrained Learning, that enables the approximation of first-order derivatives or motions using non-time course or partially observed data. Computational principles and a general mathematical formulation of Constrained Learning were developed. We further introduced MPOCtrL (Message Passing Optimization-based Constrained Learning) an optimization approach tailored for the Constrained Learning framework that strives to balance the fitting of physical models and observed data. Its code is available at github link: https://github.com/ptdang1001/MPOCtrL Experiments on synthetic and real-world data demonstrated that MPOCtrL can effectively detect the nonlinear dependency between observed data and the underlying physical properties of the system. In particular, on the task of metabolic flux analysis, MPOCtrL outperforms all existing data-driven flux estimators.