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Oct 26

Leakage and the Reproducibility Crisis in ML-based Science

The use of machine learning (ML) methods for prediction and forecasting has become widespread across the quantitative sciences. However, there are many known methodological pitfalls, including data leakage, in ML-based science. In this paper, we systematically investigate reproducibility issues in ML-based science. We show that data leakage is indeed a widespread problem and has led to severe reproducibility failures. Specifically, through a survey of literature in research communities that adopted ML methods, we find 17 fields where errors have been found, collectively affecting 329 papers and in some cases leading to wildly overoptimistic conclusions. Based on our survey, we present a fine-grained taxonomy of 8 types of leakage that range from textbook errors to open research problems. We argue for fundamental methodological changes to ML-based science so that cases of leakage can be caught before publication. To that end, we propose model info sheets for reporting scientific claims based on ML models that would address all types of leakage identified in our survey. To investigate the impact of reproducibility errors and the efficacy of model info sheets, we undertake a reproducibility study in a field where complex ML models are believed to vastly outperform older statistical models such as Logistic Regression (LR): civil war prediction. We find that all papers claiming the superior performance of complex ML models compared to LR models fail to reproduce due to data leakage, and complex ML models don't perform substantively better than decades-old LR models. While none of these errors could have been caught by reading the papers, model info sheets would enable the detection of leakage in each case.

  • 2 authors
·
Jul 13, 2022

LADDER: Language Driven Slice Discovery and Error Rectification

Error slice discovery is crucial to diagnose and mitigate model errors. Current clustering or discrete attribute-based slice discovery methods face key limitations: 1) clustering results in incoherent slices, while assigning discrete attributes to slices leads to incomplete coverage of error patterns due to missing or insufficient attributes; 2) these methods lack complex reasoning, preventing them from fully explaining model biases; 3) they fail to integrate domain knowledge, limiting their usage in specialized fields \eg radiology. We propose\ladder (Language-Driven Discovery and Error Rectification), to address the limitations by: (1) leveraging the flexibility of natural language to address incompleteness, (2) employing LLM's latent domain knowledge and advanced reasoning to analyze sentences and derive testable hypotheses directly, identifying biased attributes, and form coherent error slices without clustering. Existing mitigation methods typically address only the worst-performing group, often amplifying errors in other subgroups. In contrast,\ladder generates pseudo attributes from the discovered hypotheses to mitigate errors across all biases without explicit attribute annotations or prior knowledge of bias. Rigorous evaluations on 6 datasets spanning natural and medical images -- comparing 200+ classifiers with diverse architectures, pretraining strategies, and LLMs -- show that\ladder consistently outperforms existing baselines in discovering and mitigating biases.

BostonU Boston University
·
Jul 31, 2024

Varda-single-1.0: deterministic data-driven weather forecasting at 1 km resolution over Switzerland's complex topography

We present Varda-single-1.0, a medium-range data-driven weather prediction system built for the Alpine domain. It provides hourly deterministic regional forecasts on a mesh of 1 km resolution and global forecasts on a 31 km mesh. The system comprises two independently trained stretched-grid Graph Transformer models with encoder-processor-decoder architecture, developed in the Anemoi framework: a 6-hourly autoregressive forecaster and a temporal downscaler reconstructing hourly forecasts between the forecaster's steps. Its training curriculum includes pre-training on ERA5 reanalysis data, followed by training on a 20-year kilometre-scale regional reanalysis, and finally fine-tuning on operational kilometre-scale analyses. Verified over one year against operational analyses and surface station observations, Varda-single is competitive with or improves on MeteoSwiss' operational numerical weather prediction baselines for most headline scores and variables. It broadly matches the skill of the high-resolution 1 km ICON-CH1-EPS control at lead times up to +33 h and generally outperforms the 2 km ICON-CH2-EPS control at lead times up to +120 h. Despite competitive aggregate scores, Varda-single underestimates some local wind maxima and produces overly smooth convective precipitation fields, consistent with the smoothing associated with squared-error training. To gain insight into the model's behaviour, we investigate three case studies beyond the aggregated headline scores, and find particular weaknesses in Varda-single's representation of local winds over complex terrain. Varda-single represents an important step in the development of high-resolution ML forecasting over complex terrain, in complementing the operational regional numerical weather prediction models of MeteoSwiss with data-driven models and in providing a pretrained model for researchers and user-specific applications.

  • 31 authors
·
Sep 30

CNet: A Complex-Valued Deep Learning Framework with Wirtinger Autodifferentiation and FFT--Hadamard Convolution

CNet is a C++/CUDA framework for building deep complex-valued neural networks (CVNNs) and optimizing complex functions by gradient descent with Wirtinger derivatives. Complex models are underexplored yet natural where data is intrinsically complex -- RF/IQ communications, MRI k-space, radar/SAR, audio spectra -- and phase carries information real networks discard. CNet is physics-native: a network is a cascade of complex (often unitary) operations on an amplitude vector, and classification is a Born-rule measurement p_k = |z_k|^2/||z||^2 rather than a softmax over real logits. Its library of complex layers makes conv(x,k) = IFFT(FFT(x).FFT(k)) learnable via signal-processing primitives -- spectral-padding local kernels (Pad), the inverse DFT, a magnitude nonlinearity |z|^2 (CModulus2), holomorphic powers z^M (CPower), and mean pooling (MeanPool) -- with GPU kernels for every layer, a GPU true-Adam optimizer, and a reduced-memory inference mode. Three studies. (1) A fully complex FNet-style causal language model, built on a new O(N log N) causal Fourier mixer, matches a param-matched real-valued causal FNet on tiny-shakespeare in under half the steps. We introduce Born-rule attention: a content-based causal mixer whose weights are quantum-measurement probabilities |<Q_k,K_j>|^2 of one token against another -- the first attention mechanism built on the Born rule. With rotary position embeddings and per-token complex normalization, a fully complex Born-rule model reaches 1.52 nats/char on tiny-shakespeare, matching softmax attention and beating the Fourier mixer by 0.23. (2,3) Two bottleneck analyses -- radio-modulation classification (RML2016.10a) and the Fourier phase problem of coherent-diffraction imaging -- isolate where CVNNs need new operators. The complex machinery learns the correct structure; open problems are concrete and operator-level. Code: https://github.com/crasmarum/CNet

  • 1 authors
·
Oct 6

Complex Valued Deep Operator Network (DeepONet) [G] for Three Dimensional Maxwell's Equations: G in C^{m times n}

Maxwell's equations, a system of linear partial differential equations (PDEs), describe the behavior of electric and magnetic fields in time and space and are essential for many important electromagnetic applications. Although numerical methods have been applied successfully in the past, the primary challenge in solving these equations arises from the frequency of electromagnetic fields, which depends on the shape and size of the objects to be resolved. Since the domain of influence for these equations is compactly supported, even a small perturbation in frequency necessitates a new discretization of Maxwell's equations, resulting in substantial computational costs. In this work, we investigate the potential of neural operators, particularly the Deep Operator Network (DeepONet) and its variants, as a surrogate model for Maxwell's equations. Existing DeepONet implementations are restricted to real-valued data in R^n, but since the time-harmonic Maxwell's equations yield solutions in the complex domain C^n, a specialized architecture is required to handle complex algebra. We propose a formulation of DeepONet for complex data, define the forward pass in the complex domain, and adopt a reparametrized version of DeepONet for more efficient training. We also propose a unified framework to combine a plurality of DeepONets, trained for multiple electromagnetic field components, to incorporate the boundary condition. We conduct computational experiments on a 3D metallic sphere without singularities and on a metallic almond-shaped target to demonstrate the effectiveness of the proposed method for problems involving singularity-prone solutions. As shown by computational experiments, our method significantly enhances the efficiency of predicting scattered fields from a spherical object at arbitrary high frequencies.

  • 5 authors
·
Jan 15

Composite stacks for reliable > 17 T trapped fields in bulk superconductor magnets

Trapped fields of over 20 T are, in principle, achievable in bulk, single-grain high temperature cuprate superconductors. The principle barriers to realizing such performance are, firstly, the large tensile stresses that develop during the magnetization of such trapped-field magnets as a result of the Lorentz force, which lead to brittle fracture of these ceramic-like materials at high fields and, secondly, catastrophic thermal instabilities as a result of flux movement during magnetization. Moreover, for a batch of samples nominally fabricated identically, the statistical nature of the failure mechanism means the best performance (i.e. trapped fields of over 17 T) cannot be attained reliably. The magnetization process, particularly to higher fields, also often damages the samples such that they cannot repeatedly trap high fields following subsequent magnetization. In this study, we report the sequential trapping of magnetic fields of ~ 17 T, achieving 16.8 T at 26 K initially and 17.6 T at 22.5 K subsequently, in a stack of two Ag-doped GdBa2Cu3O7-δ bulk superconductor composites of diameter 24 mm reinforced with (1) stainless-steel laminations, and (2) shrink-fit stainless steel rings. A trapped field of 17.6 T is, in fact, comparable with the highest trapped fields reported to date for bulk superconducting magnets of any mechanical and chemical composition, and this was achieved using the first composite stack to be fabricated by this technique.

  • 13 authors
·
Aug 22, 2019

Plug-and-Play Regularization on Magnitude with Deep Priors for 3D Near-Field MIMO Imaging

Near-field radar imaging systems are recently used in a wide range of applications, such as medical diagnosis, through-wall imaging, concealed weapon detection, and nondestructive evaluation. In this paper, we consider the problem of reconstructing the three-dimensional (3D) complex-valued reflectivity distribution of the near-field scene from sparse multiple-input multiple-output (MIMO) array measurements. Using the alternating direction method of multipliers (ADMM) framework, we solve this inverse problem by enforcing regularization on the magnitude of the complex-valued reflectivity distribution. For this, we provide a general expression for the proximal mapping associated with such regularization functionals. This equivalently corresponds to the solution of a complex-valued denoising problem which involves regularization on the magnitude. By utilizing this expression, we develop a novel and efficient plug-and-play (PnP) reconstruction method that consists of simple update steps. Due to the success of data-adaptive deep priors in various imaging problems, we also train a 3D deep denoiser to exploit within the developed PnP framework for MIMO imaging. The effectiveness of the developed learning-based PnP approach is illustrated under various compressive and noisy observation scenarios using both simulated data and experimental measurements. The performance is also compared with sparsity priors and the commonly used analytical approaches such as back-projection and Kirchhoff migration. The results demonstrate that the developed technique not only provides state-of-the-art reconstruction performance for 3D real-world targets, but also enables fast computation. Our approach provides a unified general framework to effectively handle arbitrary regularization on the magnitude of a complex-valued unknown and is equally applicable to other radar image formation problems (including SAR).

  • 2 authors
·
Dec 26, 2023

Operator-Informed Gaussian Processes for Complex Helmholtz Wavefields: From Synthetic Benchmarks to In Vivo Brain Elastography

The Helmholtz equation governs time-harmonic wave propagation, and in dissipative media a complex modulus renders its squared wavenumber κ^2 complex. Inferring such fields from sparse, noisy data calls for solvers that also quantify their own uncertainty. Physics-informed Gaussian-process (GP) regression supplies this by returning a posterior over the solution, yet operator-conditioned formulations have been developed almost exclusively for real-valued fields. We extend operator-informed GP regression to complex-valued Helmholtz problems by realifying the complex operator into an equivalent coupled real block, which enables inference with standard real-valued GP conditioning. The construction admits a family of priors, from a proper diagonal prior to coregionalized and multiscale variants, and conditions on PDE residuals and boundary traces. On benchmark problems in one to three dimensions, the solver is competitive with finite-difference and neural-network baselines at a far smaller interior-constraint budget. Unlike those deterministic baselines, it returns a posterior over the complex wavefield rather than a point estimate. Applied to in vivo brain magnetic resonance elastography, a proper multiscale prior reconstructs the shear curl field to a correlation of 0.77 with measurement, above a 0.75 target. The gain arises from the multiscale kernel rather than from real--imaginary coupling. We further identify a low-frequency accuracy ceiling set by model mismatch and a posterior uncertainty that is not yet calibrated. Calibrated uncertainty therefore emerges as the central next step for probabilistic wavefield inference in dissipative media.

  • 3 authors
·
Sep 11

Magnetic fields in the infrared dark cloud G34.43+0.24

We present the B-fields mapped in IRDC G34.43+0.24 using 850\,μm polarized dust emission observed with the POL-2 instrument at JCMT. We examine the magnetic field geometries and strengths in the northern, central, and southern regions of the filament. The overall field geometry is ordered and aligned closely perpendicular to the filament's main axis, particularly in regions containing the central clumps MM1 and MM2, whereas MM3 in the north has field orientations aligned with its major axis. The overall field orientations are uniform at large (POL-2 at 14arcsec and SHARP at 10arcsec) to small scales (TADPOL at 2.5arcsec and SMA at 1.5arcsec) in the MM1 and MM2 regions. SHARP/CSO observations in MM3 at 350\,μm from Tang et al. show a similar trend as seen in our POL-2 observations. TADPOL observations demonstrate a well-defined field geometry in MM1/MM2 consistent with MHD simulations of accreting filaments. We obtained a plane-of-sky magnetic field strength of 470pm190\,μG, 100pm40\,μG, and 60pm34\,μG in the central, northern and southern regions of G34, respectively, using the updated Davis-Chandrasekhar-Fermi relation. The estimated value of field strength, combined with column density and velocity dispersion values available in the literature, suggests G34 to be marginally critical with criticality parameter rm λ values 0.8pm0.4, 1.1pm0.8, and 0.9pm0.5 in the central, northern, and southern regions, respectively. The turbulent motions in G34 are sub-Alfvénic with Alfvénic Mach numbers of 0.34pm0.13, 0.53pm0.30, and 0.49pm0.26 in the three regions. The observed aligned B-fields in G34.43+0.24 are consistent with theoretical models suggesting that B-fields play an important role in guiding the contraction of the cloud driven by gravity.

  • 14 authors
·
Aug 8, 2019

ComplexFormer: Disruptively Advancing Transformer Inference Ability via Head-Specific Complex Vector Attention

Transformer models rely on self-attention to capture token dependencies but face challenges in effectively integrating positional information while allowing multi-head attention (MHA) flexibility. Prior methods often model semantic and positional differences disparately or apply uniform positional adjustments across heads, potentially limiting representational capacity. This paper introduces ComplexFormer, featuring Complex Multi-Head Attention-CMHA. CMHA empowers each head to independently model semantic and positional differences unified within the complex plane, representing interactions as rotations and scaling. ComplexFormer incorporates two key improvements: (1) a per-head Euler transformation, converting real-valued query/key projections into polar-form complex vectors for head-specific complex subspace operation; and (2) a per-head adaptive differential rotation mechanism, exp[i(Adapt(ASmn,i) + Delta(Pmn),i)], allowing each head to learn distinct strategies for integrating semantic angle differences (ASmn,i) with relative positional encodings (Delta(Pmn),i). Extensive experiments on language modeling, text generation, code generation, and mathematical reasoning show ComplexFormer achieves superior performance, significantly lower generation perplexity , and improved long-context coherence compared to strong baselines like RoPE-Transformers. ComplexFormer demonstrates strong parameter efficiency, offering a more expressive, adaptable attention mechanism.

  • 7 authors
·
May 15, 2025

Second Season QUIET Observations: Measurements of the CMB Polarization Power Spectrum at 95 GHz

The Q/U Imaging ExperimenT (QUIET) has observed the cosmic microwave background (CMB) at 43 and 95GHz. The 43-GHz results have been published in QUIET Collaboration et al. (2011), and here we report the measurement of CMB polarization power spectra using the 95-GHz data. This data set comprises 5337 hours of observations recorded by an array of 84 polarized coherent receivers with a total array sensitivity of 87 uK sqrt(s). Four low-foreground fields were observed, covering a total of ~1000 square degrees with an effective angular resolution of 12.8', allowing for constraints on primordial gravitational waves and high-signal-to-noise measurements of the E-modes across three acoustic peaks. The data reduction was performed using two independent analysis pipelines, one based on a pseudo-Cl (PCL) cross-correlation approach, and the other on a maximum-likelihood (ML) approach. All data selection criteria and filters were modified until a predefined set of null tests had been satisfied before inspecting any non-null power spectrum. The results derived by the two pipelines are in good agreement. We characterize the EE, EB and BB power spectra between l=25 and 975 and find that the EE spectrum is consistent with LCDM, while the BB power spectrum is consistent with zero. Based on these measurements, we constrain the tensor-to-scalar ratio to r=1.1+0.9-0.8 (r<2.8 at 95% C.L.) as derived by the ML pipeline, and r=1.2+0.9-0.8 (r<2.7 at 95% C.L.) as derived by the PCL pipeline. In one of the fields, we find a correlation with the dust component of the Planck Sky Model, though the corresponding excess power is small compared to statistical errors. Finally, we derive limits on all known systematic errors, and demonstrate that these correspond to a tensor-to-scalar ratio smaller than r=0.01, the lowest level yet reported in the literature.

  • 51 authors
·
Jan 29, 2013

Complex Network for Complex Problems: A comparative study of CNN and Complex-valued CNN

Neural networks, especially convolutional neural networks (CNN), are one of the most common tools these days used in computer vision. Most of these networks work with real-valued data using real-valued features. Complex-valued convolutional neural networks (CV-CNN) can preserve the algebraic structure of complex-valued input data and have the potential to learn more complex relationships between the input and the ground-truth. Although some comparisons of CNNs and CV-CNNs for different tasks have been performed in the past, a large-scale investigation comparing different models operating on different tasks has not been conducted. Furthermore, because complex features contain both real and imaginary components, CV-CNNs have double the number of trainable parameters as real-valued CNNs in terms of the actual number of trainable parameters. Whether or not the improvements in performance with CV-CNN observed in the past have been because of the complex features or just because of having double the number of trainable parameters has not yet been explored. This paper presents a comparative study of CNN, CNNx2 (CNN with double the number of trainable parameters as the CNN), and CV-CNN. The experiments were performed using seven models for two different tasks - brain tumour classification and segmentation in brain MRIs. The results have revealed that the CV-CNN models outperformed the CNN and CNNx2 models.

  • 4 authors
·
Feb 9, 2023

Disparity Has a Sign: Stereo Matching Beyond the Zero-Disparity Plane

Modern stereo matching models fail when disparity crosses zero, with end-point error (EPE) rising by 4.6-37times. Yet stereoscopic content, from cinema 3D to VR, routinely contains objects behind the zero-disparity plane (ZDP), corresponding to negative disparities. The blind spot cascades through datasets, architectures, and evaluation protocols, all of which inherit the non-negative geometry. Rectified parallel cameras place ZDP at infinity, so every finite depth yields d=fB/z ge 0 by construction, and nothing within the standard pipeline can violate, or even measure, a negative disparity. To measure it, we propose ZDPShift, a benchmark of 21{,}495 stereo pairs from seven cinematographer-authored open movies, each frame rendered at five zero-disparity-plane positions with dense signed ground truth. Six state-of-the-art image and video stereo matching models collapse once the plane moves. On identical scene content, FoundationStereo goes from 2.24 px EPE to 75.33px, with every backbone leaving roughly half of all pixels exceeding a three-pixel disparity error. What is missing, however, is not the underlying matching capability. % The capability itself, however, is already present. Training on supervision synthesized from SceneFlow, which adds no new data or parameters, keeps the error flat across the signed range. Training only the decoder, with the pretrained matching features frozen, performs comparably across all six backbones, with EPE jittering within 0.2px. Thus, the pretrained features already extend to the negative regime they were never trained on, and only the output convention discarded it. Meanwhile, positive-regime accuracy on KITTI, Middlebury, ETH3D, and Sintel is largely preserved.

  • 5 authors
·
Sep 5

Non-Uniform Spatial Alignment Errors in sUAS Imagery From Wide-Area Disasters

This work presents the first quantitative study of alignment errors between small uncrewed aerial systems (sUAS) geospatial imagery and a priori building polygons and finds that alignment errors are non-uniform and irregular. The work also introduces a publicly available dataset of imagery, building polygons, and human-generated and curated adjustments that can be used to evaluate existing strategies for aligning building polygons with sUAS imagery. There are no efforts that have aligned pre-existing spatial data with sUAS imagery, and thus, there is no clear state of practice. However, this effort and analysis show that the translational alignment errors present in this type of data, averaging 82px and an intersection over the union of 0.65, which would induce further errors and biases in downstream machine learning systems unless addressed. This study identifies and analyzes the translational alignment errors of 21,619 building polygons in fifty-one orthomosaic images, covering 16787.2 Acres (26.23 square miles), constructed from sUAS raw imagery from nine wide-area disasters (Hurricane Ian, Hurricane Harvey, Hurricane Michael, Hurricane Ida, Hurricane Idalia, Hurricane Laura, the Mayfield Tornado, the Musset Bayou Fire, and the Kilauea Eruption). The analysis finds no uniformity among the angle and distance metrics of the building polygon alignments as they present an average degree variance of 0.4 and an average pixel distance variance of 0.45. This work alerts the sUAS community to the problem of spatial alignment and that a simple linear transform, often used to align satellite imagery, will not be sufficient to align spatial data in sUAS orthomosaic imagery.

  • 6 authors
·
May 10, 2024

HALoGEN: Fantastic LLM Hallucinations and Where to Find Them

Despite their impressive ability to generate high-quality and fluent text, generative large language models (LLMs) also produce hallucinations: statements that are misaligned with established world knowledge or provided input context. However, measuring hallucination can be challenging, as having humans verify model generations on-the-fly is both expensive and time-consuming. In this work, we release HALoGEN, a comprehensive hallucination benchmark consisting of: (1) 10,923 prompts for generative models spanning nine domains including programming, scientific attribution, and summarization, and (2) automatic high-precision verifiers for each use case that decompose LLM generations into atomic units, and verify each unit against a high-quality knowledge source. We use this framework to evaluate ~150,000 generations from 14 language models, finding that even the best-performing models are riddled with hallucinations (sometimes up to 86% of generated atomic facts depending on the domain). We further define a novel error classification for LLM hallucinations based on whether they likely stem from incorrect recollection of training data (Type A errors), or incorrect knowledge in training data (Type B errors), or are fabrication (Type C errors). We hope our framework provides a foundation to enable the principled study of why generative models hallucinate, and advances the development of trustworthy large language models.

  • 4 authors
·
Jan 14, 2025 2

Fundamental physics with ESPRESSO: Precise limit on variations in the fine-structure constant towards the bright quasar HE 0515-4414

The strong intervening absorption system at redshift 1.15 towards the very bright quasar HE 0515-4414 is the most studied absorber for measuring possible cosmological variations in the fine-structure constant, α. We observed HE 0515-4414 for 16.1,h with the Very Large Telescope and present here the first constraint on relative variations in α with parts-per-million (ppm) precision from the new ESPRESSO spectrograph: Δα/α= 1.3 pm 1.3_{rm stat} pm 0.4_{rm sys},{rm ppm}. The statistical uncertainty (1σ) is similar to the ensemble precision of previous large samples of absorbers, and derives from the high S/N achieved (approx105 per 0.4,km,s^{-1} pixel). ESPRESSO's design, and calibration of our observations with its laser frequency comb, effectively removed wavelength calibration errors from our measurement. The high resolving power of our ESPRESSO spectrum (R=145000) enabled the identification of very narrow components within the absorption profile, allowing a more robust analysis of Δα/α. The evidence for the narrow components is corroborated by their correspondence with previously detected molecular hydrogen and neutral carbon. The main remaining systematic errors arise from ambiguities in the absorption profile modelling, effects from redispersing the individual quasar exposures, and convergence of the parameter estimation algorithm. All analyses of the spectrum, including systematic error estimates, were initially blinded to avoid human biases. We make our reduced ESPRESSO spectrum of HE 0515-4414 publicly available for further analysis. Combining our ESPRESSO result with 28 measurements, from other spectrographs, in which wavelength calibration errors have been mitigated, yields a weighted mean Δα/α= -0.5 pm 0.5_{rm stat} pm 0.4_{rm sys},ppm at redshifts 0.6-2.4.

  • 43 authors
·
Dec 9, 2021

Real-Time Prediction of Gas Flow Dynamics in Diesel Engines using a Deep Neural Operator Framework

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

  • 4 authors
·
Apr 2, 2023

Algorithm-assisted discovery of an intrinsic order among mathematical constants

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

  • 9 authors
·
Aug 22, 2023

Standardized Benchmark Dataset for Localized Exposure to a Realistic Source at 10-90 GHz

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

  • 3 authors
·
May 3, 2023

A hybrid CNN-adjoint optimization framework for reconstruction of viscoelastic tissue properties in magnetic resonance elastography

Magnetic resonance elastography (MRE) is a noninvasive imaging modality for quantifying the viscoelastic properties of soft tissues from shear wave propagation. Recovering the complex-valued shear modulus from measured displacement fields leads to a severely ill-posed inverse problem, particularly in the presence of noise and limited boundary excitations. We investigate adjoint-based optimization, convolutional neural network (CNN) reconstruction, and a hybrid framework combining both approaches. The forward model is based on a scalar form of the modified stationary Stokes system with a complex shear modulus. We establish well-posedness of the forward problem, existence of minimizers, and first-order optimality conditions for the adjoint-based formulation, and implement a nonlinear conjugate-gradient method with Armijo line search. While PDE-constrained optimization can accurately refine coefficient reconstructions, its performance depends strongly on initialization. We therefore construct a two-dimensional CNN that maps complex-valued displacement measurements to spatially varying complex shear modulus fields and provides rapid, informative initial reconstructions. The proposed hybrid method uses the CNN reconstruction to initialize the adjoint-based optimization, yielding faster convergence and improved accuracy. The CNN is trained on coefficient fields containing individual perturbations and tested on both individual and previously unseen combined configurations. Numerical experiments demonstrate that the CNN generalizes to these more challenging configurations, while subsequent PDE-constrained optimization further refines the reconstructed coefficient. These results demonstrate the potential of combining data-driven initialization with physics-based optimization for efficient and accurate MRE reconstruction.

  • 3 authors
·
Oct 1

Intervention anchors and scientific verification in synthetic vascular predictive representations

Complete orthogonal predictive coordinates do not by themselves bind a latent direction to a named intervention. We present a mathematical and synthetic audit motivated by vascular device-vessel suitcordance. Capacity-matched least-squares predictors were exactly equivalent under complete fixed output transforms, whereas an anchor-only observer recovered interpretations only within the span of known perturbation signatures. Six three-dimensional configurations across 64 seeds gave a maximum paired prediction discrepancy of 6.7e-15 but a median untransported edit error of 1.513. Coordinate transport removed that error. Noisy and weak anchors constrained calibration stability, and changing the representation basis required recalibration or verified transport. Across 256 additional fits in dimensions 3-24, prediction equivalence persisted within 4.0e-15. We then evaluated nine deliberate runnable fault classes across 64 seeds. All 576 faulty executions completed, but each violated at least one reconstruction, prediction, delivered-edit or scope contract; all 320 valid control records passed. Repeating a faulty implementation gave exact self-agreement despite error against the separately computed simulator expectation. For one omitted-direction defect, probe coverage followed its analytic law, and rank-aware abstention protected unsupported interpretations. Scalar-noise experiments exposed both missed weak faults and excessive rejection under narrow relative tolerances. These controls provide an executable separation of prediction, semantic support and scientific acceptance. They are synthetic numerical audits, not clinical validation, neural JEPA-Anything replication, agent learning or patient treatment-effect estimation.

  • 7 authors
·
Oct 7

NeuRBF: A Neural Fields Representation with Adaptive Radial Basis Functions

We present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

  • 7 authors
·
Sep 27, 2023 2

Valid Per-Field Selective Risk Control for Document Extraction: Three Failure Modes, a Validity Ladder, and When Conditioning Pays

Per-field accept/review with selective risk at most alpha -- accept a field only if the error rate among accepted fields is controlled -- is the trust contract document-extraction systems need, and the natural procedure silently violates it on real documents. On 13,859 genuine claude-sonnet-5 fields from 800 CORD receipts (49.0% correct) we diagnose three failure modes: document clustering (design effect 1.84-2.45), score-refit leakage (coverage 0.416 at risk 0.127, violating alpha=0.10 in 95% of splits), and a tie-mass pathology (a degenerate score collapses the threshold grid, 0.030 to 0.001). We organize the fixes as a validity ladder, guarantee form stated per tier. A fit/val split protocol restores expected-selective-risk control for a learned fusion: coverage 0.318 at risk 0.096 at nominal alpha=0.10, no tolerance band (production variant 0.326) -- an on-average point whose realized risk exceeds alpha in 47.5% of resplits, not a certificate. Mondrian Learn-then-Test with exact binomial tails yields per-group PAC certificates: field-iid 0.171 at risk 0.068, cluster-corrected 0.140, doc-iid 0.060 -- the only tier matching documents, honestly near-vacuous today. Support-bin, the pre-specified provenance taxonomy, wins every rigor tier on the sonnet CORD capture (p<1e-4, Bonferroni-corrected) -- a win that does not replicate on the same documents under haiku or qwen -- while on higher-accuracy corpora pooled thresholds win: conditioning helps exactly where pooled cannot certify, subsumed by a learned score elsewhere. A frozen-configuration confirmation on selection-untouched claude-haiku-4-5 held at both risk levels, and a blind three-annotator human-gold audit verifies the practical tier's accepted-set risk at 1.3% against its 10% budget (Fleiss' kappa=0.83; labels err one-sidedly pessimistic). Released Apache-2.0 with seed-pinned, regression-gated procedures.

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Jul 27 2