Deep Learning
ReLU-Based and DNN-Based Generalized Maximum Score Estimators
Chen, Xiaohong, Gao, Wayne Yuan, Wen, Likang
We propose a new formulation of the maximum score estimator that uses compositions of rectified linear unit (ReLU) functions, instead of indicator functions as in Manski (1975,1985), to encode the sign alignment restrictions. Since the ReLU function is Lipschitz, our new ReLU-based maximum score criterion function is substantially easier to optimize using standard gradient-based optimization pacakges. We also show that our ReLU-based maximum score (RMS) estimator can be generalized to an umbrella framework defined by multi-index single-crossing (MISC) conditions, while the original maximum score estimator cannot be applied. We establish the $n^{-s/(2s+1)}$ convergence rate and asymptotic normality for the RMS estimator under order-$s$ Holder smoothness. In addition, we propose an alternative estimator using a further reformulation of RMS as a special layer in a deep neural network (DNN) architecture, which allows the estimation procedure to be implemented via state-of-the-art software and hardware for DNN.
Geometry-Aware Deep Congruence Networks for Manifold Learning in Cross-Subject Motor Imagery
Manivannan, Sanjeev, Lakshminarayan, Chandrashekar
Cross-subject motor-imagery decoding remains a major challenge in EEG-based brain-computer interfaces due to strong subject variability and the curved geometry of covariance matrices on the symmetric positive definite (SPD) manifold. We address the zero-shot cross-subject setting, where no target-subject labels or adaptation are allowed, by introducing novel geometry-aware preprocessing modules and deep congruence networks that operate directly on SPD covariance matrices. Our preprocessing modules, DCR and RiFU, extend Riemannian Alignment by improving action separation while reducing subject-specific distortions. We further propose two manifold classifiers, SPD-DCNet and RiFUNet, which use hierarchical congruence transforms to learn discriminative, subject-invariant covariance representations. On the BCI-IV 2a benchmark, our framework improves cross-subject accuracy by 3-4% over the strongest classical baselines, demonstrating the value of geometry-aware transformations for robust EEG decoding.
A joint optimization approach to identifying sparse dynamics using least squares kernel collocation
Hsu, Alexander W., Salas, Ike W. Griss, Stevens-Haas, Jacob M., Kutz, J. Nathan, Aravkin, Aleksandr, Hosseini, Bamdad
The identification of ordinary differential equations (ODEs) and dynamical systems is a fundamental problem in control [32, 59, 60], data assimilation [42, 84], and more recently in scientific machine learning (ML) [11, 72, 74]. While algorithms such as Sparse Identification of Nonlinear Dynamics (SINDy) and its variants [46] are widely used by practitioners, they often fail in scenarios where observations of the state of the system are scarce, indirect, and noisy. In such scenarios modifications to SINDy-type methods are required to enforce additional constraints on the recovered equations to make them consistent with the observational data. Put simply, traditional SINDy-type methods work in two steps: (1) the data is used to filter the state of the system and estimate the derivatives, and (2) the filtered state is used to learn the underlying dynamics. In the regime of scarce, noisy and incomplete data, step 1 is inaccurate, which can propagate to poor results in the subsequent step 2. In this paper, we propose an all-at-once approach to filtering and equation learning based on collocation in a reproducing kernel Hilbert space (RKHS) which we term Joint SINDy (JSINDy), and shows that the issues above can be mitigated by performing both steps together. This joins a broader class of dynamics-informed methods that integrate the governing equations directly into the learning objective, either as hard constraints or as least-squares relaxations, which couples the problems of state estimation and model discovery. Representative examples include physics-informed and sparse-regression frameworks based on neural networks, splines, kernels, finite differences, and adjoint methods [21, 27, 39, 41, 72, 73, 88].
Active Learning with Selective Time-Step Acquisition for PDEs
Kim, Yegon, Kim, Hyunsu, Ko, Gyeonghoon, Lee, Juho
Accurately solving partial differential equations (PDEs) is critical to understanding complex scientific and engineering phenomena, yet traditional numerical solvers are computationally expensive. Surrogate models offer a more efficient alternative, but their development is hindered by the cost of generating sufficient training data from numerical solvers. In this paper, we present a novel framework for active learning (AL) in PDE surrogate modeling that reduces this cost. Unlike the existing AL methods for PDEs that always acquire entire PDE trajectories, our approach strategically generates only the most important time steps with the numerical solver, while employing the surrogate model to approximate the remaining steps. This dramatically reduces the cost incurred by each trajectory and thus allows the active learning algorithm to try out a more diverse set of trajectories given the same budget. To accommodate this novel framework, we develop an acquisition function that estimates the utility of a set of time steps by approximating its resulting variance reduction. We demonstrate the effectiveness of our method on several benchmark PDEs, including the Burgers' equation, Korteweg-De Vries equation, Kuramoto-Sivashinsky equation, the incompressible Navier-Stokes equation, and the compressible Navier-Stokes equation. Experiments show that our approach improves performance by large margins over the best existing method. Our method not only reduces average error but also the 99\%, 95\%, and 50\% quantiles of error, which is rare for an AL algorithm. All in all, our approach offers a data-efficient solution to surrogate modeling for PDEs.
Learning Rate Scheduling with Matrix Factorization for Private Training
Kalinin, Nikita P., Andersson, Joel Daniel
We study differentially private model training with stochastic gradient descent under learning rate scheduling and correlated noise. Although correlated noise, in particular via matrix factorizations, has been shown to improve accuracy, prior theoretical work focused primarily on the prefix-sum workload. That workload assumes a constant learning rate, whereas in practice learning rate schedules are widely used to accelerate training and improve convergence. We close this gap by deriving general upper and lower bounds for a broad class of learning rate schedules in both single- and multi-epoch settings. Building on these results, we propose a learning-rate-aware factorization that achieves improvements over prefix-sum factorizations under both MaxSE and MeanSE error metrics. Our theoretical analysis yields memory-efficient constructions suitable for practical deployment, and experiments on CIFAR-10 and IMDB datasets confirm that schedule-aware factorizations improve accuracy in private training.
Arbitrage-Free Bond and Yield Curve Forecasting with Neural Filters under HJM Constraints
We develop an arbitrage-free deep learning framework for yield curve and bond price forecasting based on the Heath-Jarrow-Morton (HJM) term-structure model and a dynamic Nelson-Siegel parameterization of forward rates. Our approach embeds a no-arbitrage drift restriction into a neural state-space architecture by combining Kalman, extended Kalman, and particle filters with recurrent neural networks (LSTM/CLSTM), and introduces an explicit arbitrage error regularization (AER) term during training. The model is applied to U.S. Treasury and corporate bond data, and its performance is evaluated for both yield-space and price-space predictions at 1-day and 5-day horizons. Empirically, arbitrage regularization leads to its strongest improvements at short maturities, particularly in 5-day-ahead forecasts, increasing market-consistency as measured by bid-ask hit rates and reducing dollar-denominated prediction errors.
Cost-Sensitive Conformal Training with Provably Controllable Learning Bounds
Jia, Xuesong, Shi, Yuanjie, Liu, Ziquan, Xu, Yi, Yan, Yan
Conformal prediction (CP) is a general framework to quantify the predictive uncertainty of machine learning models that uses a set prediction to include the true label with a valid probability. To align the uncertainty measured by CP, confor-mal training methods minimize the size of the prediction sets. A typical way is to use a surrogate indicator function, usually Sigmoid or Gaussian error function. However, these surrogate functions do not have a uniform error bound to the indicator function, leading to uncontrollable learning bounds. In this paper, we propose a simple cost-sensitive conformal training algorithm that does not rely on the indicator approximation mechanism. Specifically, we theoretically show that minimizing the expected size of prediction sets is upper bounded by the expected rank of true labels. To this end, we develop a rank weighting strategy that assigns the weight using the rank of true label on each data sample. Our analysis provably demonstrates the tightness between the proposed weighted objective and the expected size of conformal prediction sets. Extensive experiments verify the validity of our theoretical insights, and superior empirical performance over other con-formal training in terms of predictive efficiency with 21.38% reduction for average prediction set size.
Transformers with RL or SFT Provably Learn Sparse Boolean Functions, But Differently
Lyu, Bochen, Jia, Yiyang, Cai, Xiaohao, Zhu, Zhanxing
Large language models (LLMs), with the transformer architecture being their core building block, are remarkably successful across a wide range of tasks, in particular reasoning. LLMs excel in solving complex reasoning tasks by iteratively generating intermediate steps [Wei et al., 2022]-- an intriguing approach known as Chain-of-Thought (CoT). Fine-tuning has been shown to be a powerful method to enhance efficient CoT generation in LLMs, which in turn improves the multi-step reasoning performance of LLMs significantly [Wei et al., 2022, Zelikman et al., 2022, Lightman et al., 2024]. A widely adopted approach for fine-tuning to generate CoT is supervised fine-tuning (SFT), where the transformers are trained to minimize a loss over pairs of inputs and labeled outputs. While straightforward, SFT is restricted by the demand of a large amount of labeled CoT data. As a result, fine-tuning approaches based on reinforcement learning (RL) [DeepSeek-AI et al., 2025, Ouyang et al., 2022, Bai et al., 2022, Christiano et al., 2023, Kumar et al., 2024] are increasingly prevalent. Instead of minimizing a loss over labeled CoT data, RL guides transformers to generate CoT to solve complex reasoning tasks by maximizing a reward function via policy gradient methods [Mnih et al., 2016, Schulman et al., 2017, DeepSeek-AI et al., 2025], which has shown significant potential for improving the reasoning capabilities of LLMs.
Deterministic Inference across Tensor Parallel Sizes That Eliminates Training-Inference Mismatch
Zhang, Ziyang, Ding, Xinheng, Yuan, Jiayi, Liu, Rixin, Mao, Huizi, Xing, Jiarong, Liu, Zirui
Deterministic inference is increasingly critical for large language model (LLM) applications such as LLM-as-a-judge evaluation, multi-agent systems, and Reinforcement Learning (RL). However, existing LLM serving frameworks exhibit non-deterministic behavior: identical inputs can yield different outputs when system configurations (e.g., tensor parallel (TP) size, batch size) vary, even under greedy decoding. This arises from the non-associativity of floating-point arithmetic and inconsistent reduction orders across GPUs. While prior work has addressed batch-size-related nondeterminism through batch-invariant kernels, determinism across different TP sizes remains an open problem, particularly in RL settings, where the training engine typically uses Fully Sharded Data Parallel (i.e., TP = 1) while the rollout engine relies on multi-GPU TP to maximize the inference throughput, creating a natural mismatch between the two. This precision mismatch problem may lead to suboptimal performance or even collapse for RL training. We identify and analyze the root causes of TP-induced inconsistency and propose Tree-Based Invariant Kernels (TBIK), a set of TP-invariant matrix multiplication and reduction primitives that guarantee bit-wise identical results regardless of TP size. Our key insight is to align intra- and inter-GPU reduction orders through a unified hierarchical binary tree structure. We implement these kernels in Triton and integrate them into vLLM and FSDP. Experiments confirm zero probability divergence and bit-wise reproducibility for deterministic inference across different TP sizes. Also, we achieve bit-wise identical results between vLLM and FSDP in RL training pipelines with different parallel strategy. Code is available at https://github.com/nanomaoli/llm_reproducibility.
Quantum Fourier Transform Based Kernel for Solar Irrandiance Forecasting
Mechiche-Alami, Nawfel, Rodriguez, Eduardo, Cardemil, Jose M., Droguett, Enrique Lopez
This study proposes a Quantum Fourier Transform (QFT)-enhanced quantum kernel for short-term time-series forecasting. Exogenous predictors are incorporated by convexly fusing feature-specific kernels. For both quantum and classical models, the only tuned quantities are the feature-mixing weights and the KRR ridge α; classical hyperparameters (γ, r, d) are fixed, with the same validation set size for all models. Experiments are conducted on a noiseless simulator (5 qubits; window length L=32). Limitations and ablations are discussed, and paths toward NISQ execution are outlined. Introduction Quantum Machine Learning (QML) is an emerging discipline that combines the principles of quantum physics with traditional machine learning (ML) to exploit the distinctive characteristics of quantum systems, including superposition and entanglement phenomena [1]. This distinction facilitates the expeditious execution of certain tasks [2], such as classification and dimensionality reduction, where QML has demonstrated significant acceleration [3]. QML applications have extended to time-series data, leveraging quantum phenomena to model complex temporal dependencies. The goal is to enhance the results of traditional tasks by performing computations on qubits, which can process data more efficiently than classical bits [4, 5]. For example, Thakkar et al. [6] demonstrated that quantum machine-learning methods could enhance financial forecasting by improving both churn prediction and credit-risk assessment. Likewise, Kea et al. [7] developed a hybrid quantum-classical Long Short-Term Memory (QLSTM) to improve stock-price forecasting by leveraging quantum data encoding and high-dimensional quantum representations.