Differentiable Programming

The edge-of-chaos condition preserves first-order input perturbations in wide randomly initialized networks, but physics-informed losses, score matching and derivative regularization depend on higher input derivatives. For smooth scalar-input fully connected networks, using a joint Gaussianity of the finite derivative jet that holds in the infinite-width limit at each fixed depth, we derive mean-field recursions through third order that are exact at the variance fixed point, with finite-depth corrections that decay geometrically. At criticality, the first-derivative variance is depth-invariant, whereas the second-derivative variance grows linearly whenever the activation has nonzero curvature. The resulting third-order system closes on mean-field susceptibilities. For residual networks with branch scale L^{-1/2}, we prove that every fixed finite derivative order has uniformly bounded variance under explicit regularity assumptions. Simulations verify the critical growth laws, the residual bound, and the closed recursion. The results concern initialization, not trained-network performance.

Real-world observations of deformable objects are often sparse or surface-level, while downstream tasks require hidden physical quantities such as internal deformation, stress fields, and interaction forces. Physics-based simulation can recover these quantities, but online real-to-sim adaptation remains challenging due to costly full-space optimization, limited feedback, and time-varying material properties. To address these challenges, we propose RealSimLoop, a differentiable framework for online real-to-sim adaptation using vision data as physical feedback. Our approach achieves quasi-real-time performance by executing differentiable simulation within a reduced-order neural subspace, drastically accelerating the optimization loop. We couple this efficient dynamics model with differentiable rendering, enabling direct gradient backpropagation that leverages high-fidelity pixel data to refine physical parameters such as material stiffness. Furthermore, by employing a sliding-window objective function, RealSimLoop enables robust online adaptation, allowing the system to track time-varying material properties and effectively bridge the real-to-sim gap arising from model reduction or unmodeled dynamics. Extensive experiments demonstrate that our method outperforms conventional offline methods, and we validate the framework's versatility in downstream applications, including external force prediction and 3D stress field reconstruction with novel view synthesis.

We study the local errors of classical machine-learning surrogate models, which approximate the time evolution of the one-dimensional viscous Burgers equation. Four models are compared on the same prediction task, using the spatial grid values directly: radial basis function (RBF) kernel ridge regression (KRR), linear Ridge, ExtraTrees, and Random Forests. Across all four models, the one-step residual, defined here as the true value minus the predicted value at each grid point, forms clear curved branches near predicted maxima and minima. A more detailed analysis of KRR shows that these errors are much more strongly related to the second spatial derivative, which measures local curvature, than to the first spatial derivative. Near a smooth extremum, predicted value and curvature form a local two-branch fold. Under our local curvature-based model of the residual, this fold predicts a leading-order near-parabolic relation between predicted value and residual. This geometric result motivates a direct test of the Burgers advection (transport) and diffusion (smoothing) terms. For KRR and Ridge, regression tests on held-out trajectories, a control that breaks the spatial alignment of the diffusion term, and a spectral test of high-frequency content are consistent with insufficient viscous smoothing at moderate and high viscosity. In this case, the surrogate retains more small-scale structure than the true future state. The same physical explanation is much weaker for the tree models. Finally, a correction that uses only predicted quantities reduces both one-step error and error during recursive rollout, where each prediction is used as the next input.

Hybrid architectures combining Full Attention (FA) and Linear Attention (LA) are increasingly prominent, yet their allocation remains heuristic. We seek an evidence-grounded basis in head-level functional organization learned by RoPE-based Transformers. Behavioral probes do not yield a complete taxonomy, so we propose two intervention metrics: RoPE Frequency Importance Score (RFIS), measuring how each frequency affects a head's attention distribution, and RoPE Positional Dependence (RPD), isolating dependence on rotary positional modulation. On Qwen3-series models and Llama3.1, RFIS suggests and RPD verifies a complete taxonomy of retrieval and positional heads separated by a salient mid-low-frequency band. Controlled Transformers show that this boundary follows the training-length positional scale; we term it the Global Positional Band (GPBand). The analysis suggests a potential cause of zero-shot length-extrapolation failure and yields two principles: positional modeling should operate only locally, with global access through position-independent retrieval; and both functions should be assigned at head granularity with layer-specific allocation. We instantiate them in Head-wise Hybrid Architecture (HwH), using NoPE FA for global retrieval and LA for local positional modeling. With an FA-to-LA ratio below 1:3, HwH retains strong language modeling and commonsense reasoning while improving retrieval and substantially strengthening zero-shot long-context extrapolation over Transformer, LA, and a layer-wise hybrid baseline. Ablations validate both principles and component roles, highlighting principled hybrid architecture design as a promising route toward future foundation models.

Gradient flow is widely used as a continuous-time surrogate for gradient descent, but state convergence does not imply convergence of differentiated training maps in nonsmooth networks. We characterize the fixed-horizon, vanishing-step limit of exact automatic differentiation through hard-ReLU gradient descent. Under a stable finite itinerary of separated, same-direction transverse activation events, gradient-descent states converge at first order to the corresponding piecewise-smooth gradient flow, while the exact derivative of every nonresonant discrete program converges to an event-free regional propagator. The true flow derivative instead interleaves classical saltation matrices that encode event-time sensitivity. For globally convex objectives, any strict activation event prevents complete cancellation of these missing transfers. Moreover, minimal globally 1-strongly convex residual-ReLU risks can realize arbitrarily large reciprocal sensitivity gaps, subject to an explicit transversality-scale tradeoff, and a coupled strongly convex construction yields an open set on which the largest initialization-gradient coordinate is reversed. In a controlled 17-parameter ReLU MLP, state and regional-AD errors vanish under mesh refinement while AD-to-flow errors remain between 0.18 and 0.39; an event-aware corrected product restores convergence. Resolved smoothing likewise recovers the flow sensitivity when the transition layer is sufficiently resolved. These results show that the gradient-flow limit of hard-ReLU training need not remain valid after differentiation.

Laplacian-regularized minimization is fundamental in signal processing and machine learning, but is limited by the dense and ill-conditioned nature of the graph Laplacian pseudoinverse. While the Laplacian itself is sparse, its pseudoinverse is dense and often ill-conditioned, rendering direct computation impractical at scale. Moreover, pseudoinverse learning is more challenging than Laplacian learning. To address this challenge, this paper considers the setting where the graph Laplacian is given and proposes a Difference-of-Convex Regularizer (DCR) graph learning framework that approximates the spectral action of the Laplacian pseudoinverse without direct inversion via regularized Maximum Likelihood Estimation (MLE). By reformulating Laplacian-Regularized Nonnegative Least Squares (LR-NNLS) through a dual representation, DCR decouples pseudoinverse learning from instance-specific inference and enables efficient primal solution reconstruction via a differentiable dual-guided learning scheme. We establish theoretical guarantees on stability and the existence of a unique fixed point for DCR algorithm. Numerical experiments demonstrate improved performance over convex solvers and graph filtering baselines and robust performance across diverse graph topologies.

We systematically investigate finite-difference (FD) derivative computation in Physics-Informed Neural Networks (PINNs) as an alternative to automatic differentiation (AD). On three benchmark PDEs we show that, with a properly calibrated step size, FD matches AD in accuracy on every problem while running faster across the full tested batch-size range and using substantially less GPU memory, and that a stochastic variant we propose outperforms AD on a stationary problem. We further show that for neural architectures with inter-sample dependencies (e.g. BatchNorm, self-attention) the standard PyTorch autograd idiom is silently incorrect; the correct per-sample alternative is computationally infeasible at PINN-relevant batch sizes, while FD provides a forward-only approximation that is empirically an order of magnitude closer to the true per-sample derivative.

Differentiable simulation is a key component in learning, control, and inverse problems, where gradients through nonlinear implicit solvers are required. Existing approaches either rely on unrolled automatic differentiation, whose memory grows with solver depth, or on equation-level implicit differentiation, which assembles global Jacobians and solves large sparse adjoint systems, discarding the locality of the forward solver -- and differentiating the converged equation rather than the finite computation that actually ran. We propose solver-level differentiation, which differentiates the executed solver itself. When a solver is composed of block implicit updates, its discrete adjoint is obtained by applying the corresponding adjoint updates in reverse order, yielding a reverse-sweep formulation whose backward pass mirrors the forward solver. From an operator perspective, the forward pass realizes an approximate inverse through ordered local solves, and the backward applies its transpose through reverse local adjoint solves, constructing no global system. We instantiate this idea on Vertex Block Descent, yielding a differentiable solver whose reverse colored Gauss-Seidel sweeps are composed entirely of local $3\times 3$ adjoint solves. The backward matches automatic differentiation through the identical executed forward to machine precision at every solver depth, where the equation-level adjoint is off by 37% after one sweep; in a controlled same-codebase, same-GPU comparison it is 33x faster and uses 71x less memory than unrolled automatic differentiation; and the same construction is exact on projective dynamics and extended position-based dynamics. We scale differentiable elastodynamics to $10^6$ contact-coupled soft bodies (8M vertices) on one GPU. Overall, this work highlights solver structure as a practical organizing principle for efficient differentiable simulation.

QAOA training repeatedly queries an objective and all shared gradients, making exact evaluation a feasibility bottleneck even when QUBO terms have bounded causal cones. Building on established causal-cone restriction and adjoint differentiation, LC-Implicit-QAOA profiles cone structure and induced-edge counts before local-amplitude and named-workspace allocation, then jointly selects equal-size microbatches and checkpoint schedules under a named active-evaluator workspace budget. "Implicit" means omitting both global state and global cost table, not implicit differentiation; infeasible requests are rejected before those allocations. An independently implemented complex128/float64 dense adjoint agrees with LC over 1,800 graph-angle comparisons, with a worst relative gradient error of 1.56 x 10^-13. LC completes all 104 target requests in a p=2 bounded-cone grid; under a prespecified n <= 24 validation cap, the matched state-plus-cost reference is executed for 28 requests and deliberately not run on 76. Across 80 budgeted requests, measured allocated evaluator memory stays within budget, reaching at most 0.797 of it. On 3-regular n=512, p=2, the adjoint reaches the same finite-budget endpoint in 101 objective-equivalent calls and 189 s, versus 909 calls and 1,565 s for central differences. LC targets fixed-depth one- and two-local diagonal QUBO costs with a transverse-field mixer; it provides neither global states, sampling, nor a hardware-independent fastest-backend rule.

Visual token pruning reduces the computational cost of Vision-Language Models (VLMs) by removing redundant visual tokens. The key is to learn a score that measures whether a token is useful. Existing methods typically rely on Gumbel-Softmax to approximate discrete selection during training. Such selectors make the score depend on the behavior of a relaxed pruning operator, not directly on the consequence of information loss. In this paper, we propose DiffPrune, which gives token scores a direct meaning. During training, DiffPrune keeps all tokens and weakens each token's information according to its score. If weakening a token hurts the task, the scorer is pushed to protect it; if not, the token can receive a lower score. Because the loss is differentiated through this actual information-throttling path, the scorer avoids the unstable surrogate path of relaxed token selection. DiffPrune implements this idea with an Information Throttler, which injects variance-preserving noise into visual tokens, where high-score tokens remain close to their original representations, while low-score tokens carry less original information. At inference, the throttler is removed, and hard top-K pruning is applied using the learned scores. Across ten VLM benchmarks, DiffPrune retains 96.5% of full-model accuracy while accelerating LLM prefill by 2.85x, with only 0.69 ms inference overhead. Code will be publicly available.

Fortran has been the cornerstone of high-performance computing for decades and remains unmatched in many domains. Yet the language faces an expertise gap: a new generation of scientists is barely familiar with it, while many experienced Fortran developers are only now transitioning to modern ecosystems such as JAX. This gap often results in "Fython" - Python code written with a Fortran mindset - that fails to leverage modern frameworks. We present FGPT, a transpiler framework designed to bridge this gap. It provides a systematic pipeline that transpiles Fortran into GPU-adapted Fortran, auto-differentiable Fortran via Tapenade, or NumPy and JAX scripts. Its architecture comprises three stages: (i) a frontend that parses Fortran and extracts target procedures along with all their dependencies; (ii) a middle-end that lowers the code into an intermediate representation, then into GPU-adapted or auto-differentiable Fortran, or a NumPy class; and (iii) a backend that transforms NumPy scripts into JAX modules optimized for GPU acceleration and automatic differentiation. Large language models fail when applied to the scale of community scientific codes-often spanning hundreds of thousands of lines-where consistent transformations, strict numerical fidelity, and validation against production tests are non-negotiable. FGPT addresses these challenges by preserving program semantics throughout the entire translation. We verified the framework on representative climate modeling kernels and demonstrated that it produces correct, differentiable Python implementations without requiring manual intervention. By combining rigorous compiler techniques with modern accelerator support, FGPT offers a scalable, trustworthy path for modernizing legacy Fortran code.

Differentiable simulation can accelerate contact-rich trajectory optimisation by exposing local sensitivities of task outcomes to controls. Existing approaches either use finite differences, which are expensive and step-size sensitive; differentiate iterative contact solvers by unrolling automatic differentiation (AD), which stores a growing computation trace; or require intricate, solver-specific KKT sensitivity derivations. We introduce an AD-assisted implicit derivative for regularised smooth contacts and apply it to Mujoco MJX, based on the Implicit Function Theorem (IFT). The method differentiates the stationarity residual at the tolerance-converged solution, avoiding both solver unrolling and hand-assembled KKT systems. IFT keeps compiled temporary memory nearly constant with solver effort, changing by less than 4$\%$ from one to ten iterations versus 10.6$\times$ growth for unrolled AD. IFT memory grows slower with active contacts and model dimension, using 20$\times$ less memory at 256 contacts and 6$\times$ less at 16 contacts and 96 DoF. We further introduce optimiser distillation for residual MPC, amortising batched full-horizon iLQR into a policy that guides short-horizon residual iLQR. Across Finger, Franka, and Unitree, this raises six-step success by 28-98 percentage points over standard iLQR.

Implicit Neural Representations (INRs) have become the standard for continuous 2D shape modeling, but they suffer from black-box uneditability, vulnerability to noise, and high parameter counts that severely hinder deployment on edge devices. We introduce Fluid-SDF, a highly compressed, differentiable Constructive Solid Geometry (CSG) framework that models shapes using explicit geometric primitives blended via a smooth minimum function. By replacing traditional multi-layer perceptrons (MLPs) with a parameterized primitive engine, Fluid-SDF reconstructs complex, non-convex topologies using strictly under 100 parameters, achieving comparable or superior intersection-over-union (mIoU) to standard neural baselines. Furthermore, we demonstrate that Fluid-SDF acts as a powerful geometric prior, inherently resisting high-frequency dataset noise where capacity-matched neural networks catastrophically overfit. Finally, unlike standard INRs, Fluid-SDF's explicit parameter space allows for direct, zero-shot user editing of local and global shape features without retraining. By bypassing expensive on-device gradient updates entirely, Fluid-SDF is uniquely suited for mobile AI, augmented reality, and resource-constrained embedded environments

Automated optimisation is increasingly adopted in industrial processes, yet a trust gap persists between engineers who design these algorithms and operators who must act on their recommendations. Explainable AI methods like SHAP (SHapley Additive exPlanations) have transformed interpretability for machine learning predictions; optimisation outputs could benefit from similar techniques. We present an approach that integrates Implicit Function Theorem (IFT) based sensitivity analysis with SHAP attribution and narrative generation via Large Language Models (LLM), producing explanations tailored for operators. Our approach leverages IFT to compute exact parameter sensitivities $\partial p^*/\partial x$ from the optimality conditions, enabling efficient GradientSHAP computation. For an industrial High Pressure Grinding Roll (HPGR) control optimisation problem with 22 features, we achieve equivalent SHAP attributions (correlation $>$0.99 with KernelSHAP) with over 40$\times$ speedup, enabling real-time natural language explanations. We validate on industrial scenarios and present feedback from domain experts on generated explanations.

Driving world models built on large video-diffusion backbones generate realistic scenes but are hard to control: enforcing a traffic norm typically means retraining the backbone or conditioning it on hand-built layouts. We ask whether controllability requires training at all. Our experiment shows that a rectified-flow driving world model, which jointly generates future video and a planned ego trajectory, can have its planned trajectory steered entirely at sampling time by differentiable energy functions that encode driving norms, without knowledge-specific retraining of the diffusion backbone. Concretely, we demonstrate that a world model built on Open-Sora 2.0 MM-DiT backbone can be steered to brake at a counterfactual target by injecting energy guidance at sampling time. However, we find that the generated video does not yet follow the steered trajectory through the backbone's joint self-attention and identify the cross-stream coupling as a crucial requirement for end-to-end-controllable rollouts.

Few-shot spheroid segmentation must adapt to new cell lines, microscopes, and illumination conditions from only a small set of annotated images. While foundation few-shot segmenters can be accurate, their large opaque backbones make it difficult to understand which visual cues drive success or failure. We study this question with HyperBank, a differentiable bank of classical image-processing operators combining Frangi vesselness, a Sauvola threshold pyramid, structure-tensor responses, gradient magnitude, and Laplacian-of-Gaussian filters. HyperBank is fitted on the annotated support images and evaluated on disjoint held-out images across three independently acquired spheroid datasets. We treat it not as a general replacement for foundation models, but as a compact, interpretable few-shot microscopy pipeline and an analytic-prior probe of which classical cues carry the few-shot signal. The results show that, adapted on the same few annotated support images, a compact bank of analytic priors is competitive with, and on small-cluster, contrast-driven data can outperform, much larger foundation models, while those models remain stronger on externally sourced, texture-dominated spheroids. Leave-one-family-out ablations indicate that the useful few-shot signal is distributed across operator families and strengthened by support-set-tuned morphology.

Achieving nanosecond-scale inference latency for deep neural networks (DNNs) has become a primary architectural concern for latency-critical applications. While Field-Programmable Gate Arrays (FPGAs) offer a promising substrate for low-latency inference, conventional FPGA accelerators remain arithmetic-centric, using LUTs primarily as building blocks for numerical operators and peripheral logic. In contrast, recent LUT-native neural networks treat LUTs as learnable neurons, revealing promising theoretical potential to exploit their intrinsic logic expressivity. However, existing methods are largely confined to algorithmic optimizations, failing to translate this theoretical potential into high-performance FPGA accelerators. Specifically, their differentiable formulations do not faithfully match FPGA LUT primitives, their physically-unaware topologies compromise routability and timing closure, and their lack of automated optimization flow hinders systematic design space exploration (DSE) and efficient hardware implementation. In this paper, we propose FPGN, an end-to-end physically-aware framework that closes the gap between LUT-native learning and latency-optimized FPGA implementation. FPGN addresses these challenges through (i) a hardware-aligned differentiable formulation for training FPGA-native LUT neurons, (ii) a structured LUT-native topology with a streaming hardware architecture to improve routing locality and timing closure, and (iii) a latency-driven compiler that leverages high-fidelity analytical Quality of Results models to automate DSE and hardware generation. Experiments show that FPGN achieves up to 205$\times$ latency reduction compared to representative FPGA-based BNN accelerators and up to 30$\times$ higher LUT efficiency than prior differentiable LUT-native networks, while maintaining competitive inference accuracy.

White Matter Hyperintensities (WMHs) are commonly observed in brain Magnetic Resonance Imaging (MRI) scans. They are associated with various neurological conditions, including vascular and inflammatory demyelinating diseases. Despite differing in etiology, WMHs from these conditions often appear similar on Fluid Attenuated Inversion Recovery (FLAIR) images. This similarity makes differential diagnosis challenging. In this work, we highlight the potential of combining attention-based segmentation with feature-driven classification. This approach supports more accurate and efficient classification between vascular and demyelinating white matter pathologies. For segmentation, we evaluate the effectiveness of attention mechanisms, specifically the Bottleneck Attention Module (BAM) and the Convolutional Block Attention Module (CBAM). We also test different architectures, particularly Attention U-Net. In addition, we explore advanced training strategies, such as patch-based learning and a 2.5D approach, to enhance lesion detection. After segmentation, we extract morphological features from the lesion masks. We then use them to classify WMHs based on their underlying cause. Our experiments utilize five publicly available datasets with diverse imaging protocols to promote model generalizability, despite limited sample sizes. The results suggest that attention-based segmentation and feature-driven classification offer a promising direction for discriminating vascular and demyelinating white matter lesions. Further validation in larger clinical cohorts is still needed.

The increasing uncertainty from flexible demand and renewable generation has made distributionally robust optimization (DRO) an important tool for robust power system dispatch. DRO relies on forecast scenarios to construct ambiguity sets, but conventional scenario generation pipelines are often trained in an accuracy-oriented manner and may neglect spatial correlations among uncertainties. This mismatch can produce ambiguity sets that are statistically plausible but suboptimal for downstream operation. This work proposes a decision-focused generative framework for correlated scenario generation in DRO-based dispatch. Instead of training generative models solely to fit the historical uncertainty distribution, the proposed framework optimizes generated scenarios according to their induced downstream operational cost. The proposed framework is tailored to mainstream generative models, including variational autoencoders, generative adversarial networks, and diffusion models, while capturing the joint distribution of uncertainties across buses. To improve computational tractability, we further develop a differentiable scenario selector that selects decision-relevant scenarios from a generated pool and can be trained within the same decision-focused pipeline. Case studies demonstrate that the proposed framework effectively reduces 0.80%-2.02% operational cost across different generative models compared to accuracy-oriented methods.

Understanding the physics of many-body complex dynamical systems may be a non-trivial task. High-dimensional analysis approaches are often deemed necessary to prevent losing important information. Typically, these use order parameters or descriptors capturing information related to, e.g., relative positions, symmetries, etc., of the units in the studied system. However, in many cases, gaining information related to the relative positions of the constitutive units (or their velocities) alone may be insufficient, and to reach a more complete physical knowledge, one should ideally learn and correlate with each other both structure and dynamics. Here we demonstrate how to achieve such a goal efficiently by building and navigating high-dimensional Time-Derivatives (TiDe) spaces. A TiDe space can be generated for virtually any type of system/phenomenon from the time-series data collected along its observation over time. Each TiDe's dimension corresponds to a growing-order time-derivative of the extracted data, thus containing information related to different physical phenomena/events, which can be easily extracted via unsupervised approaches. We demonstrate how, by definition, TiDes can be directly analyzed without a need for prior dimensionality reduction, providing results that are intrinsically intuitive to interpret. We show the potential of the method by analyzing two prototypical example datasets extracted from molecular dynamics simulations or experimental tracking of different types of complex dynamical systems. Our results demonstrate how efficiently one can navigate and learn in information-rich TiDe spaces, which provide a robust general framework for data analysis and for studying complex dynamical systems from the data collected along their observation over time.

For a multidimensional reflected diffusion, determining whether the associated basic adjoint relationship (BAR) uniquely characterizes the stationary distribution is a basic uniqueness problem in the BAR approach. The problem has remained unresolved for more than 35 years since the introduction of the BAR approach. In this paper, we resolve the finite-signed uniqueness problem for stable Harrison--Reiman data with a nonsingular $M$-matrix reflection matrix. The proof uses pathwise differentiability of the reflected diffusion implies feasible directional differentiability of the probabilistic resolvent to show that, at boundary points, its one-sided initial-state derivative factors through the tangent projection and vanishes along active reflection directions. An interior one-sided convolution then yields smooth test functions whose oblique derivatives are uniformly bounded and converge pointwise to zero on each closed face. The interior signed measure is consequently invariant for the reflected semigroup. The proof was discovered with the assistance of ChatGPT 5.5 Pro and subsequently verified by the authors. We also show that the nonsingular $M$-matrix assumption is structural. In the larger completely-$\mathcal{S}$ class, a nonsingular reflection matrix with a singular proper principal block admits boundary gauges supported on lower-dimensional strata. Under standard exponential ergodicity and a mild one-step regulator bound, these gauges produce nonzero zero-mass signed BAR tuples; indeed the zero-mass interior BAR coordinates contain an infinite-dimensional subspace. A four-parameter three-dimensional family, including an explicit rational example, verifies the obstruction. Thus the finite signed version of the Dai--Dieker question has a positive answer in the Harrison--Reiman $M$-matrix class and a negative answer in a natural completely-$\mathcal{S}$ extension.

Recent advances in generative modeling have enabled the efficient computation of Schrödinger bridges (SB) in high-dimensional settings by leveraging partially simulation-free training methods inspired by flow matching. However, these have not covered SBs with reflecting dynamics, a useful model choice with built-in guarantees that generated samples stay in the data domain. Existing alternatives for reflected SBs instead rely on more complex training based on forward--backward SDE theory, requiring expensive higher-order derivatives and sampling entire paths during training. In this article, we introduce a partially simulation-free framework that allows reflected SBs to be trained similarly to flow matching, using a new sampling method and regression target. We demonstrate our results by coupling pairs of well-known high-dimensional image datasets. Using reflected dynamics incurs negligible additional wall-clock time during both training and inference while maintaining or slightly improving generative performance.

We propose a novel hybrid neural architecture, the Geometry-aware R-Structured Kolmogorov-Arnold Network (GRS-KAN), which integrates V.L.Rvachev's R-functions into the Kolmogorov-Arnold Network (KAN) framework. The proposed approach combines two complementary modeling mechanisms: smooth nonlinear structure is learned by KAN branches, while known geometric or logical constraints are encoded analytically using differentiable R-functions. This enables explicit representation of discontinuities, feasible regions, and implicit geometric boundaries within a trainable neural architecture. The framework implements differentiable logical operations through R-conjunctions and R-disjunctions, allowing complex geometric supports to be represented analytically and incorporated directly into regression models. Several GRS-KAN variants are introduced, including additive, multiplicative, and agnostic branch-weighted architectures. The method is demonstrated on regression problems involving discontinuities with circular and rectangular supports. Numerical experiments show that explicit geometric encoding substantially improves predictive accuracy and boundary localization compared with standard KANs. In the considered benchmarks, geometry-aware GRS-KAN models reduce test RMSE by up to 67% while simultaneously improving interpretability through explicit analytical representation of the learned geometric structure. The agnostic variant further demonstrates the ability to automatically determine whether geometric priors are beneficial for a given learning task.

In precipitation forecasting, not only accuracy but also temporal resolution is critical. However, increasing temporal resolution is constrained by observational limitations and the computational cost of dense discrete modeling. To overcome this limitation, we reformulate precipitation forecasting as a continuous-time dynamical system and propose RainODE, a framework that models precipitation evolution in latent space using a Neural ODE. This formulation enables derivative-consistent temporal dynamics and captures the dominant large-scale advective motion of precipitation systems. Nevertheless, a purely deterministic ODE struggles to represent non-advective intensity changes such as localized growth, decay, and sub-grid variability, often leading to over-smoothed predictions. To address this issue, we introduce a stochastic source modeling module based on a Brownian Bridge formulation, which refines residual intensity variations and restores fine-grained structures while preserving advective consistency. By combining deterministic continuous dynamics with stochastic refinement, RainODE enables arbitrary-time inference while maintaining sharp predictions. Experiments on SEVIR and the newly introduced Radar-based Precipitation Integrated Dataset (RAPID) demonstrate consistent improvements across multiple temporal intervals and precipitation regimes. The code is available at https://github.com/SeongYE/RainODE.

Extreme adaptive optics (AO) is necessary for high contrast astronomy at scales of the habitable zone of nearby systems. We seek to evaluate wavefront sensors that approach fundamental limits of wavefront sensing, enabling adaptive optics systems to run faster or on fainter targets. We present the phase-induced amplitude apodisation Zernike wavefront sensor (PIAA-ZWFS): an adaptation of the conventional Zernike wavefront sensor (ZWFS) that leverages lossless apodisation of the pupil to concentrate the starlight in the focal plane. We optimise and evaluate the sensor with a differentiable modelling framework, drawing on concepts from Bayesian experimental design to minimise the variance of a maximum likelihood estimator that uses the system in the high Strehl regime. Our architecture shows state-of-the-art performance in simulation for different apertures, bandwidths, photon fluxes and source sizes, closing the gap to the fundamental limit by a factor 10 (2.5) compared to the conventional ZWFS (optimised ZWFS) in a typical photon-limited case. For extended sources, we show that even an ideal point source sensor rapidly becomes sub-optimal, and our system outperforms it for stellar diameters larger than 0.8λ/D. We verify that these gains do not come at the cost of dynamic range with either linear or non-linear reconstructors. Finally, we present a proof that there must be a trade-off between the information gained about amplitude and phase errors for any wavefront sensor. The PIAA-ZWFS is a viable wavefront sensor operating near the fundamental sensitivity limits.

The adoption of powerful diffusion models is hindered by their significant inference latency. Recent ``cache-then-forecast'' schemes alleviate this issue by accelerating DiTs using derivative-based polynomials, but they suffer from severe quality degradation at high acceleration ratios. Our analysis reveals its root cause: the discrete extrapolation performed on representations that are misaligned with the continuous diffusion trajectory and are numerically unstable. Thus, accelerated DiTs suffer from accumulated spatial errors, noisy derivative amplification, and high-order instability. We therefore reformulate accelerated inference as stable macro-trajectory extrapolation in ordinary differential equation (ODE) space. Instead of predicting intermediate features, we align forecasting with the model's Global Drift (GD), i.e., the end-to-end state evolution, thereby eliminating feature inconsistency and memory overhead. However, even this smooth macro-trajectory remains vulnerable to the derivative fallacy: its higher-order temporal derivatives are intrinsically noisy. Thus, we introduce a derivative-free barycentric Lagrange extrapolator to effectively bypass derivative instability and approximation error. We further propose a bounded Phase Mapping that regularizes the extrapolation domain, suppressing oscillatory error growth. These elements collectively constitute ResilPhase, a noise-resilient acceleration framework. Experiments on FLUX.1-dev and HunyuanVideo demonstrate state-of-the-art fidelity under aggressive acceleration ratios.

High-dimensional partial differential equations (PDEs) with unknown coefficients arise widely in scientific machine learning, including continuous-time reinforcement learning, yet solving them efficiently in a data-driven way remains challenging. Existing deep learning solvers often rely on repeated automatic differentiation to evaluate differential operators, which can cause instability and amplify derivative errors in high dimensions, while probabilistic methods based on stochastic representations require explicit knowledge of the data-generating dynamics and therefore do not apply to black-box environments. We introduce two types of simulators as data-generating mechanisms, and take a ``representing-then-learning" approach that learns the solutions and their derivatives under settings where the underlying PDE operators are accessible only through simulations and pointwise evaluations. Our representation of derivatives relies on the zeroth-order derivative (ZOD) estimators derived from perturbed Monte Carlo trajectories. This fully model-free approach generates targets for the gradient and Hessian networks using only function evaluations. We provide a statistical learning analysis of the proposed approach, including a bias--variance tradeoff for ZODs. Assuming a standard contraction property of the underlying operator, we establish a non-asymptotic error bound that decomposes the total error into discretization error, approximation error, statistical error, and ZOD bias. Crucially, we derive the sample complexity of the learned representations in (weighted) Sobolev space, characterizing the error up to second-order derivatives. Numerical experiments illustrate the competitive performance of the method in moderate and high dimensions.

Flow matching has emerged as a standard paradigm for robotic manipulation owing to its strong expressive power for modelling complex, multimodal action distributions, alongside similar approaches like diffusion policy. However, existing methods rely on discretized action chunks, making them brittle to demonstrations collected at heterogeneous control frequencies and prone to temporally inconsistent actions that degrade control stability. In this paper, we propose Frequency-Aware Flow Matching (FAFM), which outputs continuous, temporally consistent actions. To handle heterogeneous frequency input, we transform discrete action sequences into the frequency domain with the discrete cosine transform (DCT), perform flow matching over the resulting coefficients, and reconstruct continuous actions via cosine basis expansion. To generate temporally consistent actions, we regularize the first-order temporal derivative to promote smooth actions. This corresponds to a Sobolev-type constraint that suppresses high-frequency errors and discourages abrupt action changes. Our FAFM is simple, introduces no additional network parameters and applies to standalone flow-matching policies and vision-language action models. Across synthetic toy benchmark, obstacle avoidance, LapGym, and LIBERO, FAFM improves success rates, multimodal expressivity, motion smoothness, convergence speed, robustness to mechanical bias and mixed-frequency input. These gains are consistent when deployed on a real-world Franka robot. Code available at https://anonymous.4open.science/r/FAFM.

Handwritten Mathematical Expression Generation (HMEG) is challenging due to the complex two-dimensional layouts and long-range structural dependencies of mathematical expressions. Existing methods typically rely on explicit spatial supervision, such as symbol-level bounding boxes, which incurs high annotation costs and limits scalability. In this work, we propose DiffMath, a symbol- and graph-aware latent diffusion framework that leverages the hierarchical structure inherent in LaTeX as a structural prior, eliminating the need for positional supervision. First, we design a Relational Abstract Syntax Tree (RelAST), a generation-oriented representation that distills MathML trees into compact triplet sequences [S, R, D], where each token directly encodes a symbol identity, spatial relation, or nesting depth. Second, we introduce MathVAE, which learns structure-preserving latent representations through symbol-aware and relation-aware perceptual regularization, ensuring that the latent space captures both character semantics and spatial topology. Third, MathDiT performs conditional denoising in this structured latent space, further guided by a global symbol-count prior via Adaptive Layer Normalization (AdaLN) to improve structural coherence. Experiments show that DiffMath produces structurally consistent handwritten expressions, achieves superior performance over existing methods, and improves the accuracy of downstream OCR models through synthetic data augmentation.

Sparse Mixture-of-Experts (MoE) architectures enable scaling LLM parameters under a fixed inference budget by activating only a small subset of experts via top-$k$ routing. While this preserves causality and suits autoregressive language models, the discrete top-$k$ operator is not differentiable, forcing a fixed number of active experts per input and resulting in inefficient use of computation. We propose SoftMoE, which replaces discrete routing with a truncated soft top-$k$ LapSum relaxation, allowing gradient-based optimization of expert routing. We further parameterize the mean number of active experts per layer and impose a global budget constraint, enabling the model to learn how to allocate expert capacity across layers. SoftMoE remains fully compatible with autoregressive modeling and achieves performance comparable to or better than sparse MoE on language modeling and downstream tasks, while activating significantly fewer experts. Notably, the learned allocation is highly non-uniform, with later layers activating more experts. The source code is publicly available$^\dagger$.

Most existing approaches either fix the container in advance or optimize only a single container dimension through an outer search loop, leaving the remaining dimensions as a manual tuning problem. We present a differentiable packing framework that jointly optimizes all 6N object pose parameters and all three container side lengths inside a single gradient-based loop. The formulation combines six physics-inspired, differentiable loss terms computed directly on triangle meshes through axis-aligned bounding-box proxies. An adaptive squeezing mechanism periodically tightens the container whenever the overlap loss falls below a pair-count-scaled threshold, producing a large initial drop in container volume, followed by small refinements. All pairwise computations are written in tensor-broadcasting form, giving a 3.4 to 54 times speedup over a reference loop-based implementation. The pipeline is implemented in Python and PyTorch, with no physics engine, FFT library, or convex decomposition. On multiple object categories, the method produces containers that are 11 to 32 percent smaller than time-matched DBLF and simulated-annealing baselines at N =100, while running in under 4 minutes per instance on a single consumer GPU.

This paper traces, with explicit numerical values, how PyTorch's automatic differentiation (AD) engine computes gradients for Physics-Informed Neural Network (PINN) training -- a setting that requires two levels of differentiation: computing the physics derivative $\hat{y}'(t)=d\hat{y}/dt$ through the network, and computing parameter gradients $\nabla_θL$ of a loss that itself depends on $\hat{y}'(t)$. Using a 1-3-3-1 multilayer perceptron and the initial value problem $y'(t)+y(t)=0$, $y(0)=1$, we trace the complete pipeline at every node: the computational graph built during the forward pass, the reverse-mode backward traversal that computes all 22 parameter gradients in a single pass, and the graph-on-graph mechanism by which \texttt{create_graph=True} enables correct differentiation through the physics-informed residual. Every adjoint value is verified against the hand derivations of Tahimi (2026), connecting the $P/Q$ sensitivity framework to the vector--Jacobian products used by PyTorch's autograd engine.

Neurosymbolic (NeSy) models integrate neural networks and symbolic reasoning for robust and interpretable AI. State-of-the-art NeSy models require that the symbolic component is expressed in a differentiable way, often complicating the use of approximate inference. We propose EM-NeSy which casts probabilistic NeSy learning as an instance of the Expectation-Maximization (EM) algorithm. In the expectation step, we compute the posterior over the neurally predicted symbols conditioned on the label via probabilistic inference. In the maximization step, we update the neural parameters based on this posterior using gradient descent only through the neural component. This formulation unlocks the full potential of the EM algorithm for NeSy learning. It allows NeSy to extend naturally to approximate reasoning without any additional modifications or differentiability requirements of the symbolic component. Furthermore, it recovers the standard end-to-end gradient-based NeSy setting under exact inference. Our experimental results demonstrate the scalability and computational efficiency of EM-NeSy.

Population-based and distributional optimization methods, from evolution strategies and consensus-based optimization to covariance-matrix adaptation and stochastic gradient methods viewed as distributional dynamics, are widely used for nonconvex or black-box problems, yet their convergence analyses remain fragmented across algorithm-specific techniques. We introduce an operator calculus in which a broad class of such methods, after choosing an appropriate state space and, where necessary, augmenting the state by memory or strategy variables, is described as a composition of three elementary operators (mutation, selection, and recombination) acting on probability measures. Under explicit stability and regularity conditions, the composite operator admits a pre-generator whose continuous-time limit is a transport-reaction-jump (TRJ) PDE that preserves the operator splitting. On this foundation we establish a modular Lyapunov principle. If a state-space Lyapunov function both dissipates under the full generator and controls the relevant search-space gauges, then the state-space Lyapunov functional and the induced search errors decay exponentially. The additive generator structure allows dissipation estimates to be assembled operator by operator, providing a toolkit for certifying convergence of composite mean-field algorithms.

The convex Latent Optimal Partition (LOP)-l2/l1 approach enables block-sparse signal recovery with unknown partitions but relies on manual hyperparameter tuning. Additionally, numerical instability in differentiating its proximal operator prevents its automatic parameter tuning via Deep Unfolding (DU). To address these limitations, we propose two architectures: a stable framework utilizing implicit differentiation and a flexible variant leveraging Deep Weight Factorization (DWF). The DWF-based approach also supports nonconvex smooth data fidelity terms. Numerical experiments demonstrate that DU-LOP-l2/l1 yields competitive performance and high resilience against impulsive noise.

This manuscript proposes an integral formulation of the newly defined quadratic embedding method for identifying nonlinear systems (QENDy). In the original algorithm, trajectory data points along with their time derivatives are used. Methods for calculating time derivatives make the algorithm sensitive to noise. Our integral formulation does not use the time derivatives. This results in a more robust method to learn the dynamics.

Next-generation wireless networks, including satellite-to-Open RAN systems, demand agile and intelligent resource management capable of handling dynamic multi-user interference under stochastic quality of service constraints. This paper introduces DIFFRACT, a neuralized utility maximization framework that leverages differentiable programming to integrate deep learning with optimization in wireless networks. Central to our approach is the exploitation of the mathematical structure of standard interference functions, which are foundational in wireless power control. By developing a duality theory for these functions, we map iterative interference management algorithms into differentiable neural network architectures via algorithm unrolling. This enables distributed, end-to-end gradient-based learning at the network edge, supporting real-time adaptation to interference in both terrestrial and non-terrestrial environments. DIFFRACT allows for scalable and robust utility maximization by modeling complex channel dynamics and leveraging the expressiveness of differentiable models. Experimental results confirm the framework's theoretical soundness and practical effectiveness for next-generation wireless systems.

Differentiable programming offers transformative capabilities for scientific modeling, enabling gradient-based parameter estimation, sensitivity analysis, and data assimilation. Yet, migrating legacy codebases into differentiable frameworks remains a challenge. We present a five-phase LLM-based agentic pipeline that translates legacy Fortran into JAX: static dependency analysis determines module translation order from the full call graph; iterative compile-repair loops correct errors autonomously; and a Fortran reference oracle enforces numerical parity at the module level before integration and gradient verification. We instantiate and evaluate the pipeline on CLM-ml-v2, a 19,000-line Fortran land surface model, and analyze agent behavior across 73 module translation tasks. The resulting differentiable model computes the complete Jacobian in a single backward pass, recovers physical parameters in eight times fewer steps than gradient-free optimization, and achieves a 24 times wall-clock speedup over sequential Fortran at ensemble size N=2,048. Both the translated model and pipeline infrastructure are released as a reusable framework for differentiating other Earth system model components.

Advances in computational modeling, neuroimaging, and artificial intelligence are revolutionizing the modeling of neurological disorders for improved diagnostics, prognosis, and treatment planning. Mechanistic models provide valuable scientific insight into the disorders, but in practice they are often simplified with assumptions or computationally expensive and slow to solve. However, while purely data driven approaches provide speed and scalability, they require large, high quality data to train and generally suffer from interpretability and generalization issues. This perspective paper presents a structured overview of hybrid modeling strategies, which combine deep learning models with physics based solvers, and are categorized into parallel, series, and parallel-series architectures. Three main approaches that have been emphasized are residual modeling for missing or incomplete physics, Neural Ordinary Differential Equations (NODEs) for continuous time dynamics approximation, and solver in the loop that accelerates traditional solvers with neural approximations. These hybrid models integrate the governing differential equation based formulations and deep learning to characterize the evolution of neurological disorders, and promise advanced personalized neurological modeling. In addition, the study explores and proposes different hybrid configurations to improve diagnosis accuracy, predict disease progression, and inform treatment strategies across a range of neurological disorders. These capabilities outperform standalone mechanistic or purely data driven approaches, making hybrid modeling a powerful tool, especially in applications involving modeling the progression and treatment responses in neurological conditions such as brain tumors, Alzheimer's disease, and stroke.

Causal discovery with instantaneous effects in multivariate time series is challenging, as the instantaneous structure must be acyclic. Prior methods enforce this by either separating instantaneous and lagged estimation into multi-stage pipelines or imposing algebraic acyclicity constraints via complex augmented Lagrangian optimization, both of which incur high computational cost. In this work, we propose a different approach: we learn a differentiable permutation of variables using the Gumbel--Sinkhorn operator and triangularize the instantaneous coefficient matrix of a Structural Vector Autoregressive (SVAR) model in the learned order. This converts acyclicity from a hard constraint into a parameterization and keeps it valid throughout optimization. In doing so, our method enables unified, continuous optimization with gradient-based learning, leading to improved efficiency in time--series causal discovery. Across three real-world benchmarks, our method achieves the best overall performance compared with 12 baselines in both discovery accuracy and efficiency. On the large-scale benchmark, it further demonstrates strong scalability, achieving more than a 6x speedup over competing methods.

Data-driven reduced-order modeling is an essential component in the computer-aided design of control systems. In this work, we present a novel symmetric Hermite formulation of the quadrature-based balanced truncation algorithm that constructs linear reduced-order models from evaluations of the full-order system's transfer function and its derivative. Significantly, the Hermite formulation preserves desirable qualitative properties of the system used to generate the data, such as state-space Hermiticity and, consequently, asymptotic stability.

We propose Hermite-NGP, a gradient-augmented multi-resolution hash encoding designed to enable fast and accurate computation of spatial derivatives for neural PDE solvers. Unlike existing NGP-based approaches that rely on automatic differentiation or finite differences and suffer from instability or high cost, Hermite-NGP explicitly stores function values and mixed partial derivatives at hash grid vertices, allowing fully analytic evaluation of gradients, Jacobians, and Hessians via Hermite interpolation. This design preserves the efficiency and spatial adaptivity of NGP while supporting analytic differential operators up to second order. We further introduce a multi-resolution curriculum training strategy analogous to multigrid V-cycles to enable coarse-to-fine optimization. Across a range of 2D and 3D PDE benchmarks, Hermite-NGP achieves up to approximately 20 times lower error than prior neural PDE methods, and reduces wall-clock convergence time by 2 to 10 times compared to other solvers, with per-epoch training times as low as 3.5 ms for models with up to 17M parameters.

We develop a learning-theoretic framework for understanding Chain of Thought (CoT). We model CoT as the interaction between an answer map and a chain rule that generates intermediate questions autoregressively, and define the reasoning risk of a hypothesis under this interaction. Our first result is a tight canonical decomposition of this risk into two terms with opposing roles: an oracle-trajectory risk (OTR), which captures the benefit of CoT and reduces to a target-domain risk in a domain adaptation problem, and a trajectory-mismatch risk (TMR), which captures the cost of CoT through error accumulation along mismatched reasoning trajectories. We then show that this cost is unavoidable without structure: if any one of the loss, the hypothesis answer map, or the chain rule lacks stability, the TMR can be arbitrarily large even when the OTR is zero and the hypothesis is uniformly close to the ground truth. Conversely, under stability, we prove a tight upper bound on the TMR governed by an exact amplification factor that identifies bounded, linear, and exponential error-growth regimes. Together, these results give a precise theory of when CoT helps, when it hurts, and what controls the transition between the two.

This paper presents a novel framework for Jacobian computation in motion optimization problems involving multi-link systems, where physical quantities are represented using higher-order time derivatives. In motion optimization of robots and humans, cost functions may incorporate higher-order time derivatives, such as jerk or the time variation of forces, to capture smoothness and perceptual characteristics, particularly in motion skill analysis and expressive behaviors, thereby necessitating Jacobian computations involving these quantities. However, such Jacobians are typically computed using numerical or automatic differentiation without explicitly exploiting the underlying multi-link structure, which can lead to increased computational cost and numerical instability. To address this limitation, we propose a structured Jacobian formulation for motion optimization, based on the comprehensive motion computation framework, in which physical quantities and their higher-order time derivatives are systematically represented along the multi-link structure. The proposed method systematically derives analytical expressions for Jacobians of kinematic and dynamic quantities, including momentum, forces, and joint torques, with respect to generalized coordinates and their higher-order derivatives. The resulting framework is applicable to both direct and inverse optimization. Through numerical experiments, we demonstrate that the proposed method improves computational efficiency compared to numerical and automatic differentiation, while achieving comparable accuracy. Furthermore, we demonstrate its effectiveness in inverse optimization by recovering cost function weights from motion data. Together, these results indicate that the proposed formulation provides a scalable and structured computational foundation for motion optimization involving higher-order time derivatives in multi-link systems.

Establishing Universal Approximation Theorems (UATs) for nonlinear operators and their derivatives is a foundational open problem in Operator Learning (OL) and raises delicate questions in Nonlinear Functional Analysis. We prove the first UATs for $k$-times differentiable nonlinear operators and their derivatives via OL architectures, uniformly on compact sets and in weighted Bastiani--Sobolev spaces for general finite input measures. In full Banach-space generality, these are the first complete generalizations of the corresponding influential classical UATs in [Hornik, 1991] to infinite-dimensional spaces and OL, {and launch Derivative-Informed Operator Learning (DIOL) (i.e. learning nonlinear operators and their derivatives)} on general Banach spaces. Based on our UATs, we formulate Bastiani--Sobolev training in DIOL. We present open frontiers where DIOL and our UATs find applications: high-order accuracy in OL; fast constrained optimization in Banach spaces (e.g. optimal control of PDEs, inverse problems) via Learn-Then-Optimize; numerical methods for infinite-dimensional PDEs (e.g. HJB PDEs on Banach spaces from infinite-dimensional optimal control via Optimize-Then-Learn, such as optimal control of PDEs, SPDEs, path-dependent systems, partially observed systems, mean-field control). We parameterize nonlinear operators via Encoder-Decoder Architectures, classical OL architectures. These include DeepONets, Deep-H-ONets, and PCA-Nets, which our UATs cover. Our UATs are based on (i) Approximation Properties of Banach spaces; (ii) continuous Bastiani differentiability (weaker than continuous Fréchet differentiability); (iii) $C^k_B$ (Bastiani) compact-open topologies; indeed, UA in $C^k$ (Fréchet) compact-open topologies (induced by operator norms) fails; (iv) construction of weighted Bastiani--Sobolev spaces, generalizing classical Gaussian Sobolev spaces on Banach spaces.

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with heterogeneous materials with extreme stiffness contrasts, hyperelasticity under large deformations, and contact-rich interactions, which are common scenarios in the real world. We present DiffPhD, a unified GPU-accelerated differentiable Projective Dynamics framework for heterogeneous materials that tackles these intertwined challenges simultaneously. Our key insight is a careful integration of: (i) stiffness-aware projective weights to embed heterogeneity into the global system; (ii) trust-region eigenvalue filtering lifted to the backward pass for stable hyperelastic gradients and a type-II Anderson Acceleration scheme with dual-gate convergence to stabilize forward iteration under large stiffness contrasts; and (iii) a unified GPU pipeline that reuses a single sparse factor across forward, backward, and contact computations, with stiffness-amplified Rayleigh damping folded into the same factor for heterogeneity-aware dissipation at zero recurring cost. DiffPhD achieves strict gradient accuracy while delivering up to an order-of-magnitude speedup over prior differentiable solvers on heterogeneous, hyperelastic, contact-rich benchmarks. Crucially, this speedup does not come at the cost of stability: DiffPhD remains convergent on stiffness contrasts up to 100x where prior PD solvers degrade. This unlocks end-to-end gradient-based optimization on regimes previously bottlenecked by either solver fragility or per-iteration cost -- shell--joint composite creatures, soft characters wielding stiff weapons, and soft-gripper robotic manipulation -- all handled within a single forward--backward pass.

The quantum approximate optimization algorithm (QAOA) holds promise for combinatorial optimization but is constrained by limited qubits. While divide-and-conquer frameworks like QAOA$^{2}$ address scalability by partitioning graphs into subgraphs, existing methods suffer from two fundamental limitations: i) misalignment between heuristic partitioning metrics and quantum optimization goals, and ii) topology-blind parameter initialization that leads to optimization cold starts. To bridge these gaps, we propose Neural QAOA$^{2}$, an end-to-end differentiable framework that jointly generates graph partitions and initial parameters. By integrating a generative evaluative network (GEN), our method utilizes a differentiable quantum evaluator as a high-fidelity performance surrogate to provide direct gradient guidance, enabling the joint generator to learn the intrinsic mapping from graph topology to high-quality partition and parameter configurations. Extensive experiments on 183 QUBO, Ising, and MaxCut instances (21 to 1000 variables) demonstrate that our gradient-driven approach broadly outperforms heuristic baselines, ranking first on 101 instances. It exhibits zero-shot generalization across out-of-distribution graph topologies and scales.

In this paper, we describe procedures for computing higher-order time derivatives of the Lie-group Newton-Euler, Articulated-Body Inertia, and hybrid dynamics algorithms for floating-base trees, where the base configuration evolves on SE(3) and the attached mechanism is an open kinematic tree with configuration on the (n1+n2)-dimensional manifold T^{n1} \times R^{n2}, using spatial representation of twists. After presenting the algorithms, we collect the resulting recursions into closed-form equations of motion, identifying an admissible Coriolis matrix satisfying the passivity property, and showing that the articulated inertia tensor remains unchanged across all time derivatives. We then apply the developed methods to a 12-DoF aerial manipulator to derive analytical expressions for its geometric forward and inverse dynamics along with their first time derivatives whereas the numerical simulations successfully evaluate these dynamics up to fifth order. Finally, to demonstrate their practical utility, we benchmark the proposed extensions and show that, in the considered tests, their computational cost scales quadratically with the derivative order, whereas the automatic-differentiation baseline exhibits exponential scaling.

Artificial-intelligence systems are becoming ubiquitous in society, yet their predictions typically inherit biases with respect to protected attributes such as race, gender, or age. Classical fairness notions, most notably Statistical Parity (SP), demand that predictions be independent of the protected attributes, but are overly restrictive when these attributes influence mediating variables that are considered business necessities. Recent causal formulations relax SP by distinguishing allowed from not-allowed causal paths and by complementing SP with Predictive Parity (PP), requiring the predictor to replicate the legitimate influence of business-necessities. Existing path-based definitions are mainly practical when applied to categorical attributes. This paper introduces a new framework for fairness in structural causal models that is tailored to continuous protected attributes. We formalize SP and PP through path-specific partial derivatives, establish conditions under which these criteria coincide with prior causal definitions, and characterize when a fair predictor, one that satisfies SP along not-allowed paths while achieving PP along allowed paths, exists. Building on this theory, we propose a fair tuning algorithm that either constructs such a predictor or, when not possible, allows for a trade-off between SP and PP. We present experiments on simulated and real data to evaluate our proposal, compare it with previously proposed methods, and show that it performs better when PP is considered.

From neural ODEs to continuous-time machine learning, differentiable solvers allow physics, optimization, and simulation to become trainable components within deep learning systems. This has opened the path to a new generation of deep learning frameworks for scientific computing, with many promising applications still emerging. In this paper, we integrate a differentiable chemistry solver into a modified physics-informed neural network to solve parameterized reaction systems that are inherently stiff. The proposed framework introduces several key components required to overcome limitations of standard physics-informed neural networks. These include a differentiable chemistry solver, a network architecture for parameterized solutions, and residual weighting tailored to stiff reactions. We evaluate the framework on a set of differential equations related to hydrogen combustion, which include initial/boundary value problems, inverse parameter identification, and a parameterized partial differential equation. Our results highlight the ability of the proposed approach to extend physics-informed neural networks to stiff chemical systems that were previously inaccessible.

Fast prototyping of new SE(3) estimation objectives remains awkward in practice. Modern Lie-group frameworks -- GTSAM, manif, Sophus, SymForce, Ceres -- target first-order workloads through different code-generation and automatic-differentiation strategies, each optimized for a particular seam between hand-derived geometry and generic differentiation. The remaining gap is a compact, AD-safe path from these first-order primitives to exact Hessians, observed-information matrices, and higher-order derivative tensors: the quantities needed for exact Newton steps, observed-information covariance estimates, and covariance correction. This paper presents a hybrid analytical/AD recipe for SE(3) negative log-likelihoods. The practitioner writes the NLL gradient once, generic over a scalar type, and places the analytical/AD seam at the point-action interface y = Tx. Closed-form Lie-group Jacobians are used up to this interface; AD is applied only beyond it. The same source is then instantiated with ordinary floating-point scalars for gradients, vector-seeded dual numbers for exact Hessians in a single forward-mode pass, and nested dual numbers for higher-order derivative tensors. On a representative 6-DoF, 5-landmark SE(3) NLL, the advocated seeded-Hessian path is approximately 5x faster than finite-differencing the AD gradient on this benchmark while matching a nested-AD oracle to machine precision. The implementation adds roughly 70 lines of analytical-Jacobian code over an AD-only baseline. We also identify and fix a removable singularity in the standard SO(3)/SE(3) scalar basis that would otherwise produce NaNs at the origin under seeded AD, and we audit which Lie-group derivative tensors require this stabilized basis. The result is a practical path from rapidly written SE(3) objectives to exact higher-order derivatives, with predictable runtime and no finite-difference tuning.

We present a framework for the simultaneous symbolic recovery of a function and its antiderivative from data. The framework rests on three ideas. First, a derivative algebra: the observation that the product rule $\frac{d}{dx}[f \cdot g] = f'g + fg'$ and the chain rule, applied to a seed set of elementary functions, generate a self-expanding system of function-derivative pairs -- a living library that grows each time a new function is discovered. Second, two complementary primitives -- EML$\,(e^u - \ln v)$, which is theoretically complete for all elementary functions, and SOL$\,(\sin u - \cos v)$, introduced here, which makes trigonometric atoms available at depth1 instead of depth$\sim$8 -- that seed the library with core atoms cheaply. Third, additive atomic forests: finite sums of primitive trees, optionally composed via multiplicative nodes, whose derivatives are fitted to data by continuous optimisation or by exhaustive search over the library. Because differentiation of each atom is determined by construction, the forest simultaneously encodes a symbolic expression $F$ and its derivative $F'$; no symbolic integration step is required. The library is not a fixed object: it self-constructs from a small seed set by recursive application of the product rule, chain rule, and the two primitives, and it can grow as newly discovered functions are folded back in. The larger the library, the richer the expressible class of candidate functions. We give conditional completeness, additive-depth, and analytic simultaneous-recovery results for the framework. Empirically, in our reported runs on 17 classification benchmarks, sparse atom combinations match or exceed XGBoost on 13 datasets while producing interpretable formulas.

Reasoning photo retouching has gained significant traction, requiring models to analyze image defects, give reasoning processes, and execute precise retouching enhancements. However, existing approaches often rely on non-differentiable external software, creating optimization barriers and suffering from high parameter redundancy and limited generalization. To address these challenges, we propose VeraRetouch, a lightweight and fully differentiable framework for multi-task photo retouching. We employ a 0.5B Vision-Language Model (VLM) as the central intelligence to formulate retouching plans based on instructions and scene semantics. Furthermore, we develop a fully differentiable Retouch Renderer that replaces external tools, enabling direct end-to-end pixel-level training through decoupled control latents for lighting, global color, and specific color adjustments. To overcome data scarcity, we introduce AetherRetouch-1M+, the first million-scale dataset for professional retouching, constructed via a new inverse degradation workflow. Furthermore, we propose DAPO-AE, a reinforcement learning post-training strategy that enhances autonomous aesthetic cognition. Extensive experiments demonstrate that VeraRetouch achieves state-of-the-art performance across multiple benchmarks while maintaining a significantly smaller footprint, enabling mobile deployment. Our code and models are publicly available at https://github.com/OpenVeraTeam/VeraRetouch.

Systematic biases in General Circulation Model (GCM) outputs limit their direct applicability in regional planning, making bias correction a technically demanding but necessary step for both short-term and long-term impact assessment. Correcting precipitation is particularly challenging due to its non-Gaussian distribution, intermittent nature, and heavy-tailed extremes. However, traditional statistical bias-correction methods have limited ability to learn systematic patterns from large datasets or generalize to new locations. While machine learning (ML) provides greater flexibility, it can produce unpredictable and difficult-to-interpret results, limiting generalization across GCMs and locations. In this study, we propose a differentiable bias-adjustment framework called dCLIMBA, that learns a spatiotemporally adaptive parametric bias-adjustment procedure, rather than corrected precipitation directly, between historical CMIP6 model outputs and a gridded observation-based dataset, Livneh. Results demonstrate that the proposed method corrects the magnitude and distribution of extreme precipitation with particularly strong performance in the upper tail. The quantile distribution of precipitation was well reproduced across diverse U.S. cities, and spatial patterns were comparable to those from the widely used LOCA2 statistical downscaling product. In addition, the framework showed partial future trend preservation and promising attenuation of marginal biases in unseen regions. This work presents a modular and efficient bias-correction approach. The differentiable approach provides an easy-to-use option for connecting atmospheric-model outputs to on-the-ground impacts.

The Lie group SE(3) of isometric orientation preserving transformation is used for modeling multibody systems, robots, and Cosserat continua. The use of these models in numerical simulation and optimization schemes necessitates the exponential map, its right-trivialized differential (often referred to as tangent operator), as well as higher derivatives in closed form. The $6\times 6$ matrix representation of the differential, $\mathbf{dexp}_{\mathbf{X}}:se\left( 3\right) \rightarrow se\left( 3\right)$ , and its first derivative were reported using a $3\times 3$ block partitioning. In this paper, the differential, its first and second derivative, as well as the Jacobian and Hessian of the evaluation maps, $\mathbf{dexp}_{\mathbf{X}}\mathbf{Z}$ and $\mathbf{dexp}_{\mathbf{X}}^{T}$, are reported avoiding the block partitioning. For all of them, higher-order approximations are derived. Besides the compactness, the advantage of the presented closed form relations is their numerical robustness when combined with the local approximation. The formulations are demonstrated for computation of the deformation field and the strain rates of an elastic Cosserat-Simo-Reissner rod.

Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. Developing methods that make use of first/second order information about rigid-body dynamics in the presence of contact holds great promise in terms of increasing the solution speed and computational efficiency. The main bottleneck in this research direction is the difficulty in obtaining gradients and Hessians that are actually useful for numerical optimization, due to pathologies in all three steps of a common simulation pipeline: i) collision detection, ii) contact dynamics, iii) time integration. This abstract proposes a method that aims to address the collision detection part of the puzzle, via a novel pipeline designed from scratch with smooth (i.e. twice) differentiability and massive vectorizability on GPUs as the main priorities. This is in contrast to standard collision detection routines that are instead optimized for runtime on CPUs and minimal memory footprint, but do employ logic and control flow that hinder differentiability and vectorization. The proposed pipeline consists of the following contributions: i) highly expressive and compute efficient SDF representations, ii) differentiable broad-phase and narrow-phase routines that use these representations to generate vertex-SDF and edge-SDF contacts, iii) a differentiable routine for convex decomposition based contact blending.

Capturing both geometry and rigid motion for structured dynamic objects, like multi-part assemblies or jointed mechanisms, remains a key challenge. Existing dynamic methods, such as deformable meshes or 3DGS, rely on unstructured representations and fail to jointly model suitable geometry and articulated motion. Primitive-based methods excel at structured static scenes, but their dynamic potential is still unexplored. We propose D-Prism, the first framework to achieve high-fidelity structured dynamic modeling by extending differentiable primitives to the dynamic domain. Specifically, we bind 3DGS to primitive surfaces, leveraging their respective strengths in appearance and geometry. We introduce a deformation network to control primitive motion, ensuring it accurately matches the object's movement. Furthermore, we design a novel adaptive control strategy to dynamically adjust primitive counts, better matching objects' true spatial footprint. Experiments confirm that our method excels at structured dynamic modeling, providing both structured geometry and precise motion tracking.

We explore the possibility of solving Partial Differential Equations (PDEs) using discrete weak formulations. We propose a programming environment for defining a discrete computational domain, introducing discrete functions defined over a set of points, constructing discrete inner products, and introducing discrete weak formulations employing Kronecker delta test functions. Building on this setup, we propose a discrete neural network representation, training the solution function defined over a discrete set of points and employing discrete finite difference derivatives in the automatic differentiation procedures. As a challenging computational model example, we focus on Stokes equations in two-dimensions, defined over a discrete set of points. We train the solution using the discrete weak residual and the Adamax algorithm with discrete automatic differentiation of the discrete gradients. Despite introducing the python environment, we also provide a rigorous mathematical formulation based on discrete weak formulations, proving the well-posedness and robustness of the loss function. The solution of the discrete weak formulations is based on neural network training employing a robust loss function that is related to the true error. In this way, we have a robust control of the numerical error during the training of the neural networks. Besides the Stokes formulation, we also explain the functionality of the proposed library using the Laplace problem formulation.

We motivate the use of differentiable probabilistic programming techniques in order to account for the large model-space inherent to astrophysical $γ$-ray analyses. Targeting the longstanding Galactic Center $γ$-ray Excess (GCE) puzzle, we construct differentiable forward model and likelihood that make liberal use of GPU acceleration and vectorization in order to simultaneously account for a continuum of possible spatial morphologies consistent with the GCE emission in a fully probabilistic manner. Our setup allows for efficient inference over the large model space using variational methods. Beyond application to $γ$-ray data, a goal of this work is to showcase how differentiable probabilistic programming can be used as a tool to enable flexible analyses of astrophysical datasets.

3D Gaussian Splatting (3DGS) enables real-time, photorealistic novel view synthesis, making it a highly attractive representation for model-based video tracking. However, leveraging the differentiability of the 3DGS renderer "in the wild" remains notoriously fragile. A fundamental bottleneck lies in the compact, local support of the Gaussian primitives. Standard photometric objectives implicitly rely on spatial overlap; if severe camera misalignment places the rendered object outside the target's local footprint, gradients strictly vanish, leaving the optimizer stranded. We introduce SpectralSplats, a robust tracking framework that resolves this "vanishing gradient" problem by shifting the optimization objective from the spatial to the frequency domain. By supervising the rendered image via a set of global complex sinusoidal features (Spectral Moments), we construct a global basin of attraction, ensuring that a valid, directional gradient toward the target exists across the entire image domain, even when pixel overlap is completely nonexistent. To harness this global basin without introducing periodic local minima associated with high frequencies, we derive a principled Frequency Annealing schedule from first principles, gracefully transitioning the optimizer from global convexity to precise spatial alignment. We demonstrate that SpectralSplats acts as a seamless, drop-in replacement for spatial losses across diverse deformation parameterizations (from MLPs to sparse control points), successfully recovering complex deformations even from severely misaligned initializations where standard appearance-based tracking catastrophically fails.