new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Oct 15

Finite difference method in prolate spheroidal coordinates for freely suspended spheroidal particles in linear flows of viscous and viscoelastic fluids

A finite difference scheme is used to develop a numerical method to solve the flow of an unbounded viscoelastic fluid with zero to moderate inertia around a prolate spheroidal particle. The equations are written in prolate spheroidal coordinates, and the shape of the particle is exactly resolved as one of the coordinate surfaces representing the inner boundary of the computational domain. As the prolate spheroidal grid is naturally clustered near the particle surface, good resolution is obtained in the regions where the gradients of relevant flow variables are most significant. This coordinate system also allows large domain sizes with a reasonable number of mesh points to simulate unbounded fluid around a particle. Changing the aspect ratio of the inner computational boundary enables simulations of different particle shapes ranging from a sphere to a slender fiber. Numerical studies of the latter particle shape allow testing of slender body theories. The mass and momentum equations are solved with a Schur complement approach allowing us to solve the zero inertia case necessary to isolate the viscoelastic effects. The singularities associated with the coordinate system are overcome using L'Hopital's rule. A straightforward imposition of conditions representing a time-varying combination of linear flows on the outer boundary allows us to study various flows with the same computational domain geometry. {For the special but important case of zero fluid and particle inertia we obtain a novel formulation that satisfies the force- and torque-free constraint in an iteration-free manner.} The numerical method is demonstrated for various flows of Newtonian and viscoelastic fluids around spheres and spheroids (including those with large aspect ratio). Good agreement is demonstrated with existing theoretical and numerical results.

  • 2 authors
·
Oct 9, 2023

AI Agent for Reverse-Engineering Legacy Finite-Difference Code and Translating to Devito

To facilitate the transformation of legacy finite difference implementations into the Devito environment, this study develops an integrated AI agent framework. Retrieval-Augmented Generation (RAG) and open-source Large Language Models are combined through multi-stage iterative workflows in the system's hybrid LangGraph architecture. The agent constructs an extensive Devito knowledge graph through document parsing, structure-aware segmentation, extraction of entity relationships, and Leiden-based community detection. GraphRAG optimisation enhances query performance across semantic communities that include seismic wave simulation, computational fluid dynamics, and performance tuning libraries. A reverse engineering component derives three-level query strategies for RAG retrieval through static analysis of Fortran source code. To deliver precise contextual information for language model guidance, the multi-stage retrieval pipeline performs parallel searching, concept expansion, community-scale retrieval, and semantic similarity analysis. Code synthesis is governed by Pydantic-based constraints to guarantee structured outputs and reliability. A comprehensive validation framework integrates conventional static analysis with the G-Eval approach, covering execution correctness, structural soundness, mathematical consistency, and API compliance. The overall agent workflow is implemented on the LangGraph framework and adopts concurrent processing to support quality-based iterative refinement and state-aware dynamic routing. The principal contribution lies in the incorporation of feedback mechanisms motivated by reinforcement learning, enabling a transition from static code translation toward dynamic and adaptive analytical behavior.

  • 2 authors
·
Jan 25

Electromagnetic drift-kinetic particle-in-cell model with energy and charge conservation for studying finite-$β$ plasmas

The paper proposes a generalization of the fully implicit energy- and charge-conserving electromagnetic particle-in-cell method to the case where the lightest type of plasma particle (electrons) is described in the drift-kinetic approximation. This allows us to remove the very strict time step limitation of this method requiring to resolve the gyrorotation of electrons. Since the drift-kinetic model is only applicable to light particles whose contribution to plasma polarization is small, this model can be further simplified by neglecting the electron polarization drift and including in Maxwell's equations, in addition to the current of gyrocenters, only the magnetization current. In order for such a hybrid model to retain conservative properties in finite-difference form, a method of self-consistent interpolation of nabla B in the mirror force from grid to particle and the magnetization vector from particle to grid is proposed. Unlike existing drift-kinetic models, this model is not limited to considering small perturbations near a given equilibrium, and therefore allows one to study the formation of plasma equilibria in regimes with a finite ratio of plasma to magnetic field pressure. Testing of the parallel code implemented in C++ using the PETSc library confirmed the fulfillment of the finite-difference laws of energy and charge conservation, as well as the ability of the model (in the drift-kinetic version for all types of particles) to correctly reproduce the diamagnetic effect and longitudinal ion-acoustic wave.

  • 3 authors
·
Sep 30

Leap+Verify: Regime-Adaptive Speculative Weight Prediction for Accelerating Neural Network Training

We introduce Leap+Verify, a framework that applies speculative execution -- predicting future model weights and validating predictions before acceptance -- to accelerate neural network training. Inspired by speculative decoding in language model inference and by the Automatically Scalable Computation (ASC) architecture for program execution, Leap+Verify decomposes training into three dynamically detected regimes (chaotic, transition, stable) using activation-space cosine similarity as a real-time Lyapunov proxy signal. Within each regime, analytic weight predictors (momentum, linear, quadratic extrapolation) attempt to forecast model parameters K training steps ahead; predictions are accepted only when validated against a held-out loss criterion. We evaluate Leap+Verify on GPT-2 124M and Qwen 2.5-1.5B trained on WikiText-103 across five random seeds, sweeping prediction depth K in {5, 10, 25, 50, 75, 100}. Momentum-based prediction (Adam moment extrapolation) fails catastrophically at both scales, with predicted losses exceeding actuals by 100-10,000x -- a universal norm explosion in optimizer-state extrapolation. Finite-difference predictors (linear, quadratic) succeed where momentum fails: at 124M, they achieve 24% strict acceptance at K=5 in stable regimes; at 1.5B, they achieve 37% strict acceptance in transition regimes. The scale-dependent finding is in regime distribution: GPT-2 124M spends 34% of training in stable regime, while Qwen 1.5B spends 64% in chaotic regime and reaches stable in only 0-2 of 40 checkpoints. Larger models are more predictable when predictable, but less often predictable -- the practical bottleneck shifts from predictor accuracy to regime availability. Cross-seed results are highly consistent (less than 1% validation loss variance), and the three-regime framework produces identical phase boundaries (plus or minus 50 steps) across seeds.

  • 1 authors
·
Feb 23

CoFlow: Coordinated Few-Step Flow for Offline Multi-Agent Decision Making

Generative models have emerged as a major paradigm for offline multi-agent reinforcement learning (MARL), but existing approaches require many iterative sampling steps. Recent few-step accelerations either distill a joint teacher into independent students or apply averaged velocities independently per agent, suggesting that few-step inference requires sacrificing inter-agent coordination. We show this trade-off is not necessary: single-pass multi-agent generation can preserve coordination when the velocity field is natively joint-coupled. We propose Coordinated few-step Flow (CoFlow), an architecture that combines Coordinated Velocity Attention (CVA) with Adaptive Coordination Gating. A finite-difference consistency surrogate further replaces memory-prohibitive Jacobian-vector product backpropagation through the averaged velocity field with two stop-gradient forward passes. Across 60 configurations spanning MPE, MA-MuJoCo, and SMAC, CoFlow matches or surpasses Gaussian / value-based, transformer, diffusion, and prior flow baselines on episodic return. Three independent coordination probes confirm that the gains flow through inter-agent coordination rather than per-agent capacity. A denoising-step sweep shows that single-pass inference suffices on every configuration. CoFlow reaches state-of-the-art coordination quality in 1-3 denoising steps under both centralized and decentralized execution. Project page: https://github.com/Guowei-Zou/coflow.

  • 5 authors
·
May 1

LoCA: Location-Aware Cosine Adaptation for Parameter-Efficient Fine-Tuning

Low-rank adaptation (LoRA) has become a prevalent method for adapting pre-trained large language models to downstream tasks. However, the simple low-rank decomposition form may constrain the hypothesis space. To address this limitation, we introduce Location-aware Cosine Adaptation (LoCA), a novel frequency-domain parameter-efficient fine-tuning method based on inverse Discrete Cosine Transform (iDCT) with selective locations of learnable components. We begin with a comprehensive theoretical comparison between frequency-domain and low-rank decompositions for fine-tuning pre-trained large models. Our analysis reveals that frequency-domain decomposition with carefully selected frequency components can surpass the expressivity of traditional low-rank-based methods. Furthermore, we demonstrate that iDCT offers a more efficient implementation compared to inverse Discrete Fourier Transform (iDFT), allowing for better selection and tuning of frequency components while maintaining equivalent expressivity to the optimal iDFT-based adaptation. By employing finite-difference approximation to estimate gradients for discrete locations of learnable coefficients on the DCT spectrum, LoCA dynamically selects the most informative frequency components during training. Experiments on diverse language and vision fine-tuning tasks demonstrate that LoCA offers enhanced parameter efficiency while maintains computational feasibility comparable to low-rank-based methods.

  • 8 authors
·
Feb 4, 2025

OpenPros: A Large-Scale Dataset for Limited View Prostate Ultrasound Computed Tomography

Prostate cancer is one of the most common and lethal cancers among men, making its early detection critically important. Although ultrasound imaging offers greater accessibility and cost-effectiveness compared to MRI, traditional transrectal ultrasound methods suffer from low sensitivity, especially in detecting anteriorly located tumors. Ultrasound computed tomography provides quantitative tissue characterization, but its clinical implementation faces significant challenges, particularly under anatomically constrained limited-angle acquisition conditions specific to prostate imaging. To address these unmet needs, we introduce OpenPros, the first large-scale benchmark dataset explicitly developed for limited-view prostate USCT. Our dataset includes over 280,000 paired samples of realistic 2D speed-of-sound (SOS) phantoms and corresponding ultrasound full-waveform data, generated from anatomically accurate 3D digital prostate models derived from real clinical MRI/CT scans and ex vivo ultrasound measurements, annotated by medical experts. Simulations are conducted under clinically realistic configurations using advanced finite-difference time-domain and Runge-Kutta acoustic wave solvers, both provided as open-source components. Through comprehensive baseline experiments, we demonstrate that state-of-the-art deep learning methods surpass traditional physics-based approaches in both inference efficiency and reconstruction accuracy. Nevertheless, current deep learning models still fall short of delivering clinically acceptable high-resolution images with sufficient accuracy. By publicly releasing OpenPros, we aim to encourage the development of advanced machine learning algorithms capable of bridging this performance gap and producing clinically usable, high-resolution, and highly accurate prostate ultrasound images. The dataset is publicly accessible at https://open-pros.github.io/.

  • 14 authors
·
May 18, 2025

Unified ROI-based Image Compression Paradigm with Generalized Gaussian Model

Region-of-Interest (ROI)-based image compression allocates bits unevenly according to the semantic importance of different regions. Such differentiated coding typically induces a sharp-peaked and heavy-tailed distribution. This distribution characteristic mathematically necessitates a probability model with adaptable shape parameters for accurate description. However, existing methods commonly use a Gaussian model to fit this distribution, resulting in a loss of coding performance. To systematically analyze the impact of this distribution on ROI coding, we develop a unified rate-distortion optimization theoretical paradigm. Building on this paradigm, we propose a novel Generalized Gaussian Model (GGM) to achieve flexible modeling of the latent variables distribution. To support stable optimization of GGM, we introduce effective differentiable functions and further propose a dynamic lower bound to alleviate train-test mismatch. Moreover, finite differences are introduced to solve the gradient computation after GGM fits the distribution. Experiments on COCO2017 demonstrate that our method achieves state-of-the-art in both ROI reconstruction and downstream tasks (e.g., Segmentation, Object Detection). Furthermore, compared to classical probability models, our GGM provides a more precise fit to feature distributions and achieves superior coding performance. The project page is at https://github.com/hukai-tju/ROIGGM.

  • 5 authors
·
Feb 1

CFO: Learning Continuous-Time PDE Dynamics via Flow-Matched Neural Operators

Neural operator surrogates for time-dependent partial differential equations (PDEs) conventionally employ autoregressive prediction schemes, which accumulate error over long rollouts and require uniform temporal discretization. We introduce the Continuous Flow Operator (CFO), a framework that learns continuous-time PDE dynamics without the computational burden of standard continuous approaches, e.g., neural ODE. The key insight is repurposing flow matching to directly learn the right-hand side of PDEs without backpropagating through ODE solvers. CFO fits temporal splines to trajectory data, using finite-difference estimates of time derivatives at knots to construct probability paths whose velocities closely approximate the true PDE dynamics. A neural operator is then trained via flow matching to predict these analytic velocity fields. This approach is inherently time-resolution invariant: training accepts trajectories sampled on arbitrary, non-uniform time grids while inference queries solutions at any temporal resolution through ODE integration. Across four benchmarks (Lorenz, 1D Burgers, 2D diffusion-reaction, 2D shallow water), CFO demonstrates superior long-horizon stability and remarkable data efficiency. CFO trained on only 25% of irregularly subsampled time points outperforms autoregressive baselines trained on complete data, with relative error reductions up to 87%. Despite requiring numerical integration at inference, CFO achieves competitive efficiency, outperforming autoregressive baselines using only 50% of their function evaluations, while uniquely enabling reverse-time inference and arbitrary temporal querying.

  • 3 authors
·
Dec 3, 2025

Mathematical modelling of flow and adsorption in a gas chromatograph

In this paper, a mathematical model is developed to describe the evolution of the concentration of compounds through a gas chromatography column. The model couples mass balances and kinetic equations for all components. Both single and multiple-component cases are considered with constant or variable velocity. Non-dimensionalisation indicates the small effect of diffusion. The system where diffusion is neglected is analysed using Laplace transforms. In the multiple-component case, it is demonstrated that the competition between the compounds is negligible and the equations may be decoupled. This reduces the problem to solving a single integral equation to determine the concentration profile for all components (since they are scaled versions of each other). For a given analyte, we then only two parameters need to be fitted to the data. To verify this approach, the full governing equations are also solved numerically using the finite difference method and a global adaptive quadrature method to integrate the Laplace transformation. Comparison with the Laplace solution verifies the high degree of accuracy of the simpler Laplace form. The Laplace solution is then verified against experimental data from BTEX chromatography. This novel method, which involves solving a single equation and fitting parameters in pairs for individual components, is highly efficient. It is significantly faster and simpler than the full numerical solution and avoids the computationally expensive methods that would normally be used to fit all curves at the same time.

  • 5 authors
·
Oct 7, 2024

Molecular Implementation of the Machine-Learned Skala Exchange-Correlation Functional in CP2K through GauXC

Machine-learned exchange--correlation (XC) functionals offer a route to improve Kohn--Sham density-functional theory without incurring the cost of explicitly correlated electronic-structure methods. Their use in production simulation codes, however, requires a well-defined mapping between the learned model and the host-code density representation. We formulate and implement a Skala-1.1 interface in CP2K through the external GauXC library. CP2K supplies the geometry, Gaussian basis, spin-resolved atomic-orbital density matrix, and communicator, while GauXC evaluates the XC energy, atomic-orbital potential matrix, and available nuclear derivatives. The interface accepts both all-electron and valence-only density matrices. The latter may arise from separable dual-space pseudopotentials or molecular effective-core potentials. Implementation errors are isolated from functional differences by comparing the Perdew--Burke--Ernzerhof (PBE) functional evaluated through GauXC with native CP2K PBE. The resulting interface gives consistent energies, forces validated against finite-difference total-energy checks, and force-based molecular-virial diagnostics for representative molecular cases. The dietGMTKN55 benchmark suite is evaluated with an all-electron Gaussian augmented plane-wave treatment for elements up to bromine and def2 effective-core potentials for the heavier elements. The resulting aggregate mean absolute deviation of 1.255 kcal/mol is within 0.020 kcal/mol of the corresponding Skala reference value of 1.235 kcal/mol. This work establishes a validated molecular implementation of Skala in CP2K through GauXC.

  • 9 authors
·
Aug 18

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

DeepZero: Scaling up Zeroth-Order Optimization for Deep Model Training

Zeroth-order (ZO) optimization has become a popular technique for solving machine learning (ML) problems when first-order (FO) information is difficult or impossible to obtain. However, the scalability of ZO optimization remains an open problem: Its use has primarily been limited to relatively small-scale ML problems, such as sample-wise adversarial attack generation. To our best knowledge, no prior work has demonstrated the effectiveness of ZO optimization in training deep neural networks (DNNs) without a significant decrease in performance. To overcome this roadblock, we develop DeepZero, a principled ZO deep learning (DL) framework that can scale ZO optimization to DNN training from scratch through three primary innovations. First, we demonstrate the advantages of coordinatewise gradient estimation (CGE) over randomized vector-wise gradient estimation in training accuracy and computational efficiency. Second, we propose a sparsityinduced ZO training protocol that extends the model pruning methodology using only finite differences to explore and exploit the sparse DL prior in CGE. Third, we develop the methods of feature reuse and forward parallelization to advance the practical implementations of ZO training. Our extensive experiments show that DeepZero achieves state-of-the-art (SOTA) accuracy on ResNet-20 trained on CIFAR-10, approaching FO training performance for the first time. Furthermore, we show the practical utility of DeepZero in applications of certified adversarial defense and DL-based partial differential equation error correction, achieving 10-20% improvement over SOTA. We believe our results will inspire future research on scalable ZO optimization and contribute to advancing DL with black box. Codes are available at https://github.com/OPTML-Group/DeepZero.

  • 10 authors
·
Oct 3, 2023 2

Deep Neuroevolution: Genetic Algorithms Are a Competitive Alternative for Training Deep Neural Networks for Reinforcement Learning

Deep artificial neural networks (DNNs) are typically trained via gradient-based learning algorithms, namely backpropagation. Evolution strategies (ES) can rival backprop-based algorithms such as Q-learning and policy gradients on challenging deep reinforcement learning (RL) problems. However, ES can be considered a gradient-based algorithm because it performs stochastic gradient descent via an operation similar to a finite-difference approximation of the gradient. That raises the question of whether non-gradient-based evolutionary algorithms can work at DNN scales. Here we demonstrate they can: we evolve the weights of a DNN with a simple, gradient-free, population-based genetic algorithm (GA) and it performs well on hard deep RL problems, including Atari and humanoid locomotion. The Deep GA successfully evolves networks with over four million free parameters, the largest neural networks ever evolved with a traditional evolutionary algorithm. These results (1) expand our sense of the scale at which GAs can operate, (2) suggest intriguingly that in some cases following the gradient is not the best choice for optimizing performance, and (3) make immediately available the multitude of neuroevolution techniques that improve performance. We demonstrate the latter by showing that combining DNNs with novelty search, which encourages exploration on tasks with deceptive or sparse reward functions, can solve a high-dimensional problem on which reward-maximizing algorithms (e.g.\ DQN, A3C, ES, and the GA) fail. Additionally, the Deep GA is faster than ES, A3C, and DQN (it can train Atari in {raise.17ex\scriptstyle\sim}4 hours on one desktop or {raise.17ex\scriptstyle\sim}1 hour distributed on 720 cores), and enables a state-of-the-art, up to 10,000-fold compact encoding technique.

  • 6 authors
·
Dec 18, 2017

HiFi-HARP: A High-Fidelity 7th-Order Ambisonic Room Impulse Response Dataset

We introduce HiFi-HARP, a large-scale dataset of 7th-order Higher-Order Ambisonic Room Impulse Responses (HOA-RIRs) consisting of more than 100,000 RIRs generated via a hybrid acoustic simulation in realistic indoor scenes. HiFi-HARP combines geometrically complex, furnished room models from the 3D-FRONT repository with a hybrid simulation pipeline: low-frequency wave-based simulation (finite-difference time-domain) up to 900 Hz is used, while high frequencies above 900 Hz are simulated using a ray-tracing approach. The combined raw RIRs are encoded into the spherical-harmonic domain (AmbiX ACN) for direct auralization. Our dataset extends prior work by providing 7th-order Ambisonic RIRs that combine wave-theoretic accuracy with realistic room content. We detail the generation pipeline (scene and material selection, array design, hybrid simulation, ambisonic encoding) and provide dataset statistics (room volumes, RT60 distributions, absorption properties). A comparison table highlights the novelty of HiFi-HARP relative to existing RIR collections. Finally, we outline potential benchmarks such as FOA-to-HOA upsampling, source localization, and dereverberation. We discuss machine learning use cases (spatial audio rendering, acoustic parameter estimation) and limitations (e.g., simulation approximations, static scenes). Overall, HiFi-HARP offers a rich resource for developing spatial audio and acoustics algorithms in complex environments.

  • 2 authors
·
Oct 24, 2025

LLM4Laser: Large Language Models Automate the Design of Lasers

With the rapid evolution of global autonomous driving technology, the demand for its core sensing hardware, Light Detection and Ranging (LiDAR), is escalating. As the light source part of the LiDAR system, lasers, particularly the cutting-edge Photonic Crystal Surface Emitting Lasers (PCSEL), have correspondingly attracted extensive research attention. The conventional manual design and optimization of PCSEL typically require expertise in semiconductor physics and months of dedicated effort to achieve satisfactory results. While AI-driven approaches can expedite this process, laser designers still need to invest time in learning the AI algorithms involved. Meanwhile Large Language Models (LLMs), leveraging their powerful reasoning abilities, can effectively comprehend natural language and provide constructive feedback in multi-turn dialogues. They have already demonstrated potential to assist humans in scientific fields such as robotics design and chemical discovery. A question naturally arises is: Can LLMs transform the lasers design process? This paper proposes a novel human-AI co-design paradigm to show that LLMs can guide the laser design and optimization process both conceptually and technically. Specifically, by simply having conversations, GPT assisted us with writing both Finite Difference Time Domain (FDTD) simulation code and deep reinforcement learning (RL) code to acquire the optimized PCSEL solution, spanning from the proposition of ideas to the realization of algorithms. Given that GPT will perform better when given detailed and specific prompts, we break down the PCSEL design problem into a series of sub-problems and converse with GPT by posing open-ended heuristic questions rather than definitive commands. We achieved a significant milestone towards self-driving laboratories, that is, a fully automated AI-driven pipeline, for laser design and production.

  • 7 authors
·
Apr 25, 2021

V-OCBF: Learning Safety Filters from Offline Data via Value-Guided Offline Control Barrier Functions

Ensuring safety in autonomous systems requires controllers that satisfy hard, state-wise constraints without relying on online interaction. While existing Safe Offline RL methods typically enforce soft expected-cost constraints, they do not guarantee forward invariance. Conversely, Control Barrier Functions (CBFs) provide rigorous safety guarantees but usually depend on expert-designed barrier functions or full knowledge of the system dynamics. We introduce Value-Guided Offline Control Barrier Functions (V-OCBF), a framework that learns a neural CBF entirely from offline demonstrations. Unlike prior approaches, V-OCBF does not assume access to the dynamics model; instead, it derives a recursive finite-difference barrier update, enabling model-free learning of a barrier that propagates safety information over time. Moreover, V-OCBF incorporates an expectile-based objective that avoids querying the barrier on out-of-distribution actions and restricts updates to the dataset-supported action set. The learned barrier is then used with a Quadratic Program (QP) formulation to synthesize real-time safe control. Across multiple case studies, V-OCBF yields substantially fewer safety violations than baseline methods while maintaining strong task performance, highlighting its scalability for offline synthesis of safety-critical controllers without online interaction or hand-engineered barriers.

  • 5 authors
·
Dec 11, 2025

Continuum Attention for Neural Operators

Transformers, and the attention mechanism in particular, have become ubiquitous in machine learning. Their success in modeling nonlocal, long-range correlations has led to their widespread adoption in natural language processing, computer vision, and time series problems. Neural operators, which map spaces of functions into spaces of functions, are necessarily both nonlinear and nonlocal if they are universal; it is thus natural to ask whether the attention mechanism can be used in the design of neural operators. Motivated by this, we study transformers in the function space setting. We formulate attention as a map between infinite dimensional function spaces and prove that the attention mechanism as implemented in practice is a Monte Carlo or finite difference approximation of this operator. The function space formulation allows for the design of transformer neural operators, a class of architectures designed to learn mappings between function spaces. In this paper, we state and prove the first universal approximation result for transformer neural operators, using only a slight modification of the architecture implemented in practice. The prohibitive cost of applying the attention operator to functions defined on multi-dimensional domains leads to the need for more efficient attention-based architectures. For this reason we also introduce a function space generalization of the patching strategy from computer vision, and introduce a class of associated neural operators. Numerical results, on an array of operator learning problems, demonstrate the promise of our approaches to function space formulations of attention and their use in neural operators.

  • 4 authors
·
Dec 19, 2025

Observer-robust energy condition verification for warp drive spacetimes

We present warpax, an open-source, GPU-accelerated Python toolkit for observer-robust energy-condition verification of warp drive spacetimes, together with a benchmark application to six warp-drive geometries that demonstrates the methodology and produces new quantitative findings. Existing tools evaluate energy conditions for a finite sample of observer directions. warpax replaces discrete sampling with continuous, gradient-based optimization over the full timelike observer manifold, backed by Hawking--Ellis algebraic classification. At Type~I stress-energy points, which dominate all tested metrics, an algebraic eigenvalue check determines energy-condition satisfaction exactly, independent of any observer search. At non-Type~I points, the optimizer provides rapidity-capped diagnostics. Stress-energy tensors are computed from the Arnowitt--Deser--Misner metric via forward-mode automatic differentiation, eliminating finite-difference truncation error. We apply warpax to five warp drive metrics (Alcubierre, Lentz, Van~Den~Broeck, Nat'ario, Rodal) and one warp shell metric. For several metrics, the standard Eulerian-frame analysis misses a significant fraction of violated grid points; even where it identifies the correct violation set, observer optimization reveals violation magnitudes can be orders of magnitude larger. These results demonstrate that single-frame evaluation can systematically underestimate both the spatial extent and severity of energy-condition violations. Throughout, we distinguish the invariant energy density (eigenvalue of T^a{}b) from the observer-dependent T{ab},u^a u^b and the Eulerian projection. All results use subluminal bubble velocities; at superluminal speeds, the Alcubierre-family metrics develop signature changes outside our assumptions. warpax is freely available at https://github.com/anindex/warpax

  • 1 authors
·
Apr 26

The Data Manifold under the Microscope

A significant gap exists between theory and practice in deep learning. Generalization and approximation error bounds are often derived for simplified models or are too loose to be informative. Many rely on the manifold hypothesis and on geometric regularity such as intrinsic dimension, curvature, and reach. Progress requires insight into data-manifold geometry and suitable benchmarks, yet existing options are polarized: analytic manifolds with known geometry but limited applicability, or real-world datasets where geometry is only coarsely estimable. We introduce a benchmarking framework for studying data geometry. We repurpose and extend dSprites and COIL-20 with additional transformation dimensions and dense, axis-aligned sampling, and pair them with finite-difference estimators that recover curvature, reach, and volume at near-ground-truth accuracy in a regime where general-purpose estimators are unreliable or difficult to deploy. The framework is intended as a controlled testbed, useful as a calibration environment for geometric estimators and a sandbox for probing theoretical assumptions. To illustrate its use, we present two application studies, namely assessing the scaling behavior of the bounds of Genovese et al. and Fefferman et al., and tracking the layer-wise geometry of a β-VAE, highlighting the behavior of current bounds and the value of controlled benchmarks for guiding and validating future theory. A reference implementation is available at https://github.com/koulakis/manifold-microscope.

  • 2 authors
·
Jun 13 8

ZO-Act: Efficient Zeroth-Order Fine-Tuning via One-Shot Activation-Informed Low-Rank Subspaces

Zeroth-order (ZO) optimization enables fine-tuning large language models when backpropagation is unavailable or memory-prohibitive, but existing methods often perturb full model weights or randomly constructed low-dimensional subspaces, yielding high-variance estimates and limited performance. We propose ZO-Act, an activation-informed ZO fine-tuning method that restricts perturbations to a fixed low-rank subspace derived from input activations. For each linear layer, ZO-Act computes a small activation basis once at initialization and optimizes only lightweight coefficient matrices using forward-only loss evaluations. This reduces the effective perturbation dimension, exposes explicit trainable variables compatible with momentum-based optimizers such as Adam, and naturally supports quantized LLM fine-tuning by keeping low-bit weights frozen. We analyze ZO-Act as zeroth-order optimization over a restricted coefficient space and show that perturbing the low-dimensional coefficients reduces both the variance-dependent convergence term and the finite-difference error of the ZO estimator, at the cost of a controlled subspace approximation bias that is mitigated by the low-rank structure of LLM activations and gradients. Experiments on Llama-3-8B, OPT-13B, and INT4 Llama-3-8B show consistent gains over strong ZO fine-tuning baselines across language understanding, question answering, and commonsense reasoning.

  • 6 authors
·
Jun 30

Frozen in a Frame: The Velocity Blind Spot in JEPA World Models

Joint-embedding predictive architectures (JEPAs) for world modeling train an encoder so a predictor maps a current embedding and action to the next frame's embedding, always from a single rendered frame. This has a structural blind spot: a renderer without motion blur draws a scene from configuration alone, so a single-frame embedding carries no velocity information, for any encoder, including the official released LeWM weights. We confirm this on official checkpoints across four real benchmarks (PushT, Reacher, Cube, TwoRoom): every linear velocity probe sits at or below chance while position probes reach R^2 about 0.95. We introduce RateIdent, a three-stage diagnostic protocol, and TI-JEPA, a lightweight fix splitting the latent into a pose code and an explicit finite-difference motion code, predicted jointly. Across three physically grounded environments, TI-JEPA gives a significant, seed-robust gain on a stop-at-goal planning task over a matched-memory baseline, e.g. 55% lower final distance on Pendulum (p=3.2x10^-10) and 64% on CartPole (p=5.1x10^-15). We reproduce this at official ViT-Tiny plus AdaLN-transformer scale, then push the same recipe onto real dm_control Reacher photographs trained from scratch, where TI-JEPA's branch separation exceeds the memory-having baseline's by roughly 38x, the paper's largest margin. Against a same-footprint recurrent RSSM-style predictor, TI-JEPA matches or beats its rollout accuracy on two of three environments, stays separately probeable for pose and motion, and wins outright on the most coupled one. A checkable formal argument and six evaluated environments show single-frame targets are the wrong object to predict when velocity matters, and a small, interpretable structural change fixes it with no privileged supervision. Code, checkpoints, and the project page are linked below the title.

  • 9 authors
·
Oct 2

Understanding Data Influence with Differential Approximation

Data plays a pivotal role in the groundbreaking advancements in artificial intelligence. The quantitative analysis of data significantly contributes to model training, enhancing both the efficiency and quality of data utilization. However, existing data analysis tools often lag in accuracy. For instance, many of these tools even assume that the loss function of neural networks is convex. These limitations make it challenging to implement current methods effectively. In this paper, we introduce a new formulation to approximate a sample's influence by accumulating the differences in influence between consecutive learning steps, which we term Diff-In. Specifically, we formulate the sample-wise influence as the cumulative sum of its changes/differences across successive training iterations. By employing second-order approximations, we approximate these difference terms with high accuracy while eliminating the need for model convexity required by existing methods. Despite being a second-order method, Diff-In maintains computational complexity comparable to that of first-order methods and remains scalable. This efficiency is achieved by computing the product of the Hessian and gradient, which can be efficiently approximated using finite differences of first-order gradients. We assess the approximation accuracy of Diff-In both theoretically and empirically. Our theoretical analysis demonstrates that Diff-In achieves significantly lower approximation error compared to existing influence estimators. Extensive experiments further confirm its superior performance across multiple benchmark datasets in three data-centric tasks: data cleaning, data deletion, and coreset selection. Notably, our experiments on data pruning for large-scale vision-language pre-training show that Diff-In can scale to millions of data points and outperforms strong baselines.

  • 8 authors
·
Aug 19, 2025

Singular Contour Dynamics and Paradifferential Reduction

We develop a direct paradifferential approach to nonlinear graph integral operators arising in contour dynamics. The main methodological result is an abstract structure-preserving paralinearization theorem, valid in arbitrary dimension, for a class of homogeneous kernels whose nonlinear dependence on the graph is expressed through normalized finite differences. The theorem covers both critical principal-value kernels and subcritical locally integrable kernels, gives explicit formulas for the principal symbols, and separates the finite-order symbolic contribution generated by the homogeneous singularity from order-zero far-field terms and arbitrarily smoothing remainders. A structural feature of the reduction is the cancellation of the intermediate symbolic order; at the critical endpoint the construction also preserves the exact skew-adjoint structure of the original singular integral. As a main application, we consider the three-dimensional two-phase free-boundary Euler equations with constant interfacial background vorticity. We first derive an autonomous contour-dynamics equation in canonical surface variables and then apply the abstract theorem directly to the singular integral operators generated by the Birkhoff--Rott formulation. This yields the complete paradifferential structure of the system without taking the Dirichlet--Neumann reduction as a starting point. After introducing an Alinhac good unknown and diagonalizing the resulting system, we obtain local well-posedness for small Sobolev perturbations in the stable Kelvin--Rayleigh--Taylor regime, uniformly on compact subsets of the stable parameter set.

  • 3 authors
·
Oct 1

PyCDFT: A Python-scriptable library for analytical evaluation of orbital conceptual density (matrix) functional theory

Conceptual density functional theory (CDFT) defines chemical reactivity descriptors as derivatives of the electronic energy with respect to the number of electrons and the external potential, or combinations thereof; in practice, however, researchers almost always replace these derivatives with finite-difference and frontier-orbital approximations, and no common software exists for their analytical evaluation. We present PyCDFT, to our knowledge, the first standardized, open-source, and scriptable code that analytically computes the descriptors of conceptual density (matrix) functional theory for ground and excited states up to second order, including the orbital hardness, the Fukui function and Fukui matrix, and the linear response function, from a single converged mean-field wavefunction imported from virtually any electronic-structure package. The descriptors are obtained from matrix-free, preconditioned Krylov-subspace solutions of the coupled-perturbed self-consistent-field equations for both spin-unpolarized and spin-polarized references, with the work distributed over MPI ranks and all data flowing through a single HDF5 checkpoint file that supports restart, post-processing, and the export of real-space descriptors as cube files for visualization. The design delegates integrals, grids, and exchange-correlation kernels to PySCF and Libxc, keeping the library compact, user-friendly, and interoperable. Worked examples on the ground state of H_2O and a broken-symmetry ΔSCF excited state of NH_3 show that a complete second-order CDFT analysis requires only a few lines of user code.

  • 4 authors
·
Sep 30

Revisiting Multimodal Representation in Contrastive Learning: From Patch and Token Embeddings to Finite Discrete Tokens

Contrastive learning-based vision-language pre-training approaches, such as CLIP, have demonstrated great success in many vision-language tasks. These methods achieve cross-modal alignment by encoding a matched image-text pair with similar feature embeddings, which are generated by aggregating information from visual patches and language tokens. However, direct aligning cross-modal information using such representations is challenging, as visual patches and text tokens differ in semantic levels and granularities. To alleviate this issue, we propose a Finite Discrete Tokens (FDT) based multimodal representation. FDT is a set of learnable tokens representing certain visual-semantic concepts. Both images and texts are embedded using shared FDT by first grounding multimodal inputs to FDT space and then aggregating the activated FDT representations. The matched visual and semantic concepts are enforced to be represented by the same set of discrete tokens by a sparse activation constraint. As a result, the granularity gap between the two modalities is reduced. Through both quantitative and qualitative analyses, we demonstrate that using FDT representations in CLIP-style models improves cross-modal alignment and performance in visual recognition and vision-language downstream tasks. Furthermore, we show that our method can learn more comprehensive representations, and the learned FDT capture meaningful cross-modal correspondence, ranging from objects to actions and attributes.

  • 8 authors
·
Mar 26, 2023

Simulating 2+1D Lattice Quantum Electrodynamics at Finite Density with Neural Flow Wavefunctions

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the U(1) degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous U(1) system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

  • 4 authors
·
Dec 14, 2022

Zero-Shot Statistical Tests for LLM-Generated Text Detection using Finite Sample Concentration Inequalities

Verifying the provenance of content is crucial to the function of many organizations, e.g., educational institutions, social media platforms, firms, etc. This problem is becoming increasingly difficult as text generated by Large Language Models (LLMs) becomes almost indistinguishable from human-generated content. In addition, many institutions utilize in-house LLMs and want to ensure that external, non-sanctioned LLMs do not produce content within the institution. In this paper, we answer the following question: Given a piece of text, can we identify whether it was produced by LLM A or B (where B can be a human)? We model LLM-generated text as a sequential stochastic process with complete dependence on history and design zero-shot statistical tests to distinguish between (i) the text generated by two different sets of LLMs A (in-house) and B (non-sanctioned) and also (ii) LLM-generated and human-generated texts. We prove that the type I and type II errors for our tests decrease exponentially in the text length. In designing our tests, we derive concentration inequalities on the difference between log-perplexity and the average entropy of the string under A. Specifically, for a given string, we demonstrate that if the string is generated by A, the log-perplexity of the string under A converges to the average entropy of the string under A, except with an exponentially small probability in string length. We also show that if B generates the text, except with an exponentially small probability in string length, the log-perplexity of the string under A converges to the average cross-entropy of B and A. Lastly, we present preliminary experimental results to support our theoretical results. By enabling guaranteed (with high probability) finding of the origin of harmful LLM-generated text with arbitrary size, we can help combat misinformation.

  • 4 authors
·
Jan 4, 2025

GREAT Score: Global Robustness Evaluation of Adversarial Perturbation using Generative Models

Current studies on adversarial robustness mainly focus on aggregating local robustness results from a set of data samples to evaluate and rank different models. However, the local statistics may not well represent the true global robustness of the underlying unknown data distribution. To address this challenge, this paper makes the first attempt to present a new framework, called GREAT Score , for global robustness evaluation of adversarial perturbation using generative models. Formally, GREAT Score carries the physical meaning of a global statistic capturing a mean certified attack-proof perturbation level over all samples drawn from a generative model. For finite-sample evaluation, we also derive a probabilistic guarantee on the sample complexity and the difference between the sample mean and the true mean. GREAT Score has several advantages: (1) Robustness evaluations using GREAT Score are efficient and scalable to large models, by sparing the need of running adversarial attacks. In particular, we show high correlation and significantly reduced computation cost of GREAT Score when compared to the attack-based model ranking on RobustBench (Croce,et. al. 2021). (2) The use of generative models facilitates the approximation of the unknown data distribution. In our ablation study with different generative adversarial networks (GANs), we observe consistency between global robustness evaluation and the quality of GANs. (3) GREAT Score can be used for remote auditing of privacy-sensitive black-box models, as demonstrated by our robustness evaluation on several online facial recognition services.

  • 3 authors
·
Apr 19, 2023

High-Dimensional Two-Sample Covariance Testing with Null-Preserving Transformations

Testing equality of two high-dimensional covariance matrices is challenging when many entries differ only slightly. Dependence among sample covariance entries can also affect the finite-sample size and power of tests that aggregate their differences. We propose a studentized ell_2-type statistic that averages squared, marginally standardized differences between corresponding entries of the two sample covariance matrices. Before constructing the statistic, we apply the same nonsingular linear transformation to both samples. In the transformed coordinates, the covariance-equality hypothesis is unchanged, whereas the standardized differences and correlations among their estimators generally change. The transformation can therefore incorporate structural or scientific information without reducing dimension. We approximate the null distribution using a Gaussian multiplier bootstrap that uses coordinatewise studentization and avoids forming or inverting the full covariance matrix of the vectorized sample covariance entries. For deterministic transformations, we derive nonasymptotic Gaussian and bootstrap approximation bounds and establish asymptotic size validity and power consistency. We also show that replacing a population transformation by a same-sample estimator leaves the statistic and bootstrap critical value asymptotically unchanged in relative terms under an operator-norm convergence condition. Simulations show that suitable transformations improve size accuracy and power under weak dependence. An analysis of breast cancer gene-expression data illustrates the method.

  • 2 authors
·
Oct 7

Self Consistent Thermal Resummation: A Case Study of the Phase Transition in 2HDM

An accurate description of the scalar potential at finite temperature is crucial for studying cosmological first-order phase transitions (FOPT) in the early Universe. At finite temperatures, a precise treatment of thermal resummations is essential, as bosonic fields encounter significant infrared issues that can compromise standard perturbative approaches. The Partial Dressing (or the tadpole resummation) method provides a self consistent resummation of higher order corrections, allowing the computation of thermal masses and the effective potential including the proper Boltzmann suppression factors and without relying on any high-temperature approximation. We systematically compare the Partial dressing resummation scheme results with the Parwani and Arnold Espinosa (AE) ones to investigate the thermal phase transition dynamics in the Two-Higgs-Doublet Model (2HDM). Our findings reveal that different resummation prescriptions can significantly alter the nature of the phase transition within the same region of parameter space, confirming the differences that have already been noticed between the Parwani and AE schemes. Notably, the more refined resummation prescription, the Partial Dressing scheme, does not support symmetry non-restoration in 2HDM at high temperatures observed using the AE prescription. Furthermore, we quantify the uncertainties in the stochastic gravitational wave (GW) spectrum from an FOPT due to variations in resummation methods, illustrating their role in shaping theoretical predictions for upcoming GW experiments. Finally, we discuss the capability of the High-Luminosity LHC and proposed GW experiments to probe the FOEWPT-favored region of the parameter space.

  • 3 authors
·
Apr 2, 2025

Missing Physics Discovery through Fully Differentiable Finite Element-Based Machine Learning

Modelling physical systems with partial differential equations (PDEs) is central to science and engineering, yet in most real applications the PDE model is incomplete: relationships such as constitutive or thermal laws are unknown. Existing surrogate approaches close this gap by learning the PDE solution from data, but remain tied to a specific configuration (geometry, boundary conditions, discretisation) and recover the solution rather than the missing physics itself. We introduce FEML, an end-to-end differentiable framework that couples the known PDE with a machine-learned operator for the missing physics. Embedding the PDE solver into training lets this operator be learned directly from the PDE solution, even when its own output cannot be measured - for example, stress in constitutive laws. Because the operator is independent of the system configuration, a law learned in one setting transfers zero-shot to new geometries, boundary conditions, and discretisations, and can be inspected by domain specialists. FEML represents the operator with structure-preserving operator networks (SPONs), which retain key continuous properties at the discrete level. We demonstrate FEML across solid mechanics and thermal transport. From synthetic data we progressively discover an elastoplastic law - the nonlinear elastic response, then the plastic hardening law - and compose them into a foundation constitutive model that transfers zero-shot to a 3D torsion problem. Moving to real data, we learn coupled plastic-hardening and ductile-damage laws from a benchmark shear-coupon test, reproducing the measured response, including post-peak softening, to within the experimental scatter. Finally, we recover a temperature-dependent conductivity from transient heat-flow data and apply symbolic regression to the learned operator to extract a closed-form law matching the ground truth.

  • 3 authors
·
Jul 15

TOMATOES: Topology and Material Optimization for Latent Heat Thermal Energy Storage Devices

Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.

  • 3 authors
·
Oct 8, 2025

Interpreting effective homogeneous rheologies through a local differential map with application to the Moon

Layered viscoelastic interiors control the frequency dependence of planetary tidal dissipation, but repeated layered Love-number calculations are expensive in long-term orbital and spin integrations. Equivalent homogeneous rheologies provide a cheaper representation of the same response, but their effective parameters do not by themselves identify the interior layers they represent. We develop a local interpretation of such parameters by differentiating the layered-to-homogeneous construction about a fixed-geometry baseline, perturbing only selected layer rigidities and viscosities. We use the pole-residue representation of the degree-two Love number to construct a physical-to-effective transfer matrix. We then use its singular values, resolution matrix, and mode-dominance matrix to determine which physical perturbations are visible in the Love-number response and how they appear in effective-rheology coordinates. Applied to a five-layer lunar model, the full degree-two response is sensitive to seven of eight solid-layer rheological parameters. The single near-null direction is the inner-core rigidity, consistent with shielding by the fluid outer core and with the weak dependence of Love numbers on core elastic structure. Over the LLR frequency interval, fewer physical directions are visible. To first order, the elastic spring, isolated dashpot, and two Voigt elements reproduce the nine-pole response over this interval. Finite perturbations confirm the tangent prediction to within a few percent, with the validity radius limited by a nearly degenerate pair of long-timescale modes.

  • 1 authors
·
Sep 30

Fixed-Budget Differentially Private Best Arm Identification

We study best arm identification (BAI) in linear bandits in the fixed-budget regime under differential privacy constraints, when the arm rewards are supported on the unit interval. Given a finite budget T and a privacy parameter varepsilon>0, the goal is to minimise the error probability in finding the arm with the largest mean after T sampling rounds, subject to the constraint that the policy of the decision maker satisfies a certain {\em varepsilon-differential privacy} (varepsilon-DP) constraint. We construct a policy satisfying the varepsilon-DP constraint (called {\sc DP-BAI}) by proposing the principle of {\em maximum absolute determinants}, and derive an upper bound on its error probability. Furthermore, we derive a minimax lower bound on the error probability, and demonstrate that the lower and the upper bounds decay exponentially in T, with exponents in the two bounds matching order-wise in (a) the sub-optimality gaps of the arms, (b) varepsilon, and (c) the problem complexity that is expressible as the sum of two terms, one characterising the complexity of standard fixed-budget BAI (without privacy constraints), and the other accounting for the varepsilon-DP constraint. Additionally, we present some auxiliary results that contribute to the derivation of the lower bound on the error probability. These results, we posit, may be of independent interest and could prove instrumental in proving lower bounds on error probabilities in several other bandit problems. Whereas prior works provide results for BAI in the fixed-budget regime without privacy constraints or in the fixed-confidence regime with privacy constraints, our work fills the gap in the literature by providing the results for BAI in the fixed-budget regime under the varepsilon-DP constraint.

  • 4 authors
·
Jan 17, 2024

FSM: A Finite State Machine Based Zero-Shot Prompting Paradigm for Multi-Hop Question Answering

Large Language Models (LLMs) with chain-of-thought (COT) prompting have demonstrated impressive abilities on simple nature language inference tasks. However, they tend to perform poorly on Multi-hop Question Answering (MHQA) tasks due to several challenges, including hallucination, error propagation and limited context length. We propose a prompting method, Finite State Machine (FSM) to enhance the reasoning capabilities of LLM for complex tasks in addition to improved effectiveness and trustworthiness. Different from COT methods, FSM addresses MHQA by iteratively decomposing a question into multi-turn sub-questions, and self-correcting in time, improving the accuracy of answers in each step. Specifically, FSM addresses one sub-question at a time and decides on the next step based on its current result and state, in an automaton-like format. Experiments on benchmarks show the effectiveness of our method. Although our method performs on par with the baseline on relatively simpler datasets, it excels on challenging datasets like Musique. Moreover, this approach mitigates the hallucination phenomenon, wherein the correct final answer can be recovered despite errors in intermediate reasoning. Furthermore, our method improves LLMs' ability to follow specified output format requirements, significantly reducing the difficulty of answer interpretation and the need for reformatting.

  • 7 authors
·
Jul 3, 2024

Finite-Precision Symmetric Krylov Methods: Exact Rounding Examples, Block Paige Identities,and a Variable-Block Lanczos Model

Short-recurrence Krylov methods that are equivalent in exact arithmetic often diverge in floating-point arithmetic. To illustrate this, we provide an exactly representable two-cycle for steepest descent with a recursively updated residual. A complementary convergence theorem gives a sufficient condition under which the stored residual decreases geometrically. We then show that a second positive definite family yields different outcomes for a Hestenes--Stiefel Conjugate Gradient (CG) implementation and a direct Lanczos--Galerkin approach. CG finds the exact solution after four updates, whereas the two-step projected system becomes inconsistent. Under stated perturbation and transfer hypotheses, a common spectral enclosure gives comparable convergence bounds. For a dense, left-to-right evaluation order, we prove a sufficient precision bound for a prescribed backward error within n updates for an ntimes n matrix, together with a computable stopping test and specified exponent-range assumptions. We use polynomial estimates and numerical experiments to examine the trade-off between working precision and the number of CG iterations needed to achieve a prescribed backward error. We also compare results on inexact matrix-vector products and preconditioning with the frameworks of Paige and Greenbaum. For block Lanczos, we analyze Householder orthogonalization and singular-value truncation as the block size changes. Under componentwise and normwise error bounds, the computed coefficients satisfy a controlled local recurrence and an exact block Lanczos relation for a nearby symmetric problem in a larger space. A block form of Paige's identity bounds the overlap with a Ritz vector along its residual coordinate direction. An inter-block recurrence describes the evolution of overlap, and a Gram-matrix argument gives a count of additional nearby Ritz values.

  • 1 authors
·
Sep 7

Differentially Private Sequential Learning

In a differentially private sequential learning setting, agents introduce endogenous noise into their actions to maintain privacy. Applying this to a standard sequential learning model leads to different outcomes for continuous vs. binary signals. For continuous signals with a nonzero privacy budget, we introduce a novel smoothed randomized response mechanism that adapts noise based on distance to a threshold, unlike traditional randomized response, which applies uniform noise. This enables agents' actions to better reflect both private signals and observed history, accelerating asymptotic learning speed to Theta_{epsilon}(log(n)), compared to Theta(log(n)) in the non-private regime where privacy budget is infinite. Moreover, in the non-private setting, the expected stopping time for the first correct decision and the number of incorrect actions diverge, meaning early agents may make mistakes for an unreasonably long period. In contrast, under a finite privacy budget epsilon in (0,1), both remain finite, highlighting a stark contrast between private and non-private learning. Learning with continuous signals in the private regime is more efficient, as smooth randomized response enhances the log-likelihood ratio over time, improving information aggregation. Conversely, for binary signals, differential privacy noise hinders learning, as agents tend to use a constant randomized response strategy before an information cascade forms, reducing action informativeness and hampering the overall process.

  • 2 authors
·
Feb 26, 2025

Completeness for arbitrary finite dimensions of ZXW-calculus, a unifying calculus

The ZX-calculus is a universal graphical language for qubit quantum computation, meaning that every linear map between qubits can be expressed in the ZX-calculus. Furthermore, it is a complete graphical rewrite system: any equation involving linear maps that is derivable in the Hilbert space formalism for quantum theory can also be derived in the calculus by rewriting. It has widespread usage within quantum industry and academia for a variety of tasks such as quantum circuit optimisation, error-correction, and education. The ZW-calculus is an alternative universal graphical language that is also complete for qubit quantum computing. In fact, its completeness was used to prove that the ZX-calculus is universally complete. This calculus has advanced how quantum circuits are compiled into photonic hardware architectures in the industry. Recently, by combining these two calculi, a new calculus has emerged for qubit quantum computation, the ZXW-calculus. Using this calculus, graphical-differentiation, -integration, and -exponentiation were made possible, thus enabling the development of novel techniques in the domains of quantum machine learning and quantum chemistry. Here, we generalise the ZXW-calculus to arbitrary finite dimensions, that is, to qudits. Moreover, we prove that this graphical rewrite system is complete for any finite dimension. This is the first completeness result for any universal graphical language beyond qubits.

  • 6 authors
·
Feb 23, 2023

DIFFTACTILE: A Physics-based Differentiable Tactile Simulator for Contact-rich Robotic Manipulation

We introduce DIFFTACTILE, a physics-based differentiable tactile simulation system designed to enhance robotic manipulation with dense and physically accurate tactile feedback. In contrast to prior tactile simulators which primarily focus on manipulating rigid bodies and often rely on simplified approximations to model stress and deformations of materials in contact, DIFFTACTILE emphasizes physics-based contact modeling with high fidelity, supporting simulations of diverse contact modes and interactions with objects possessing a wide range of material properties. Our system incorporates several key components, including a Finite Element Method (FEM)-based soft body model for simulating the sensing elastomer, a multi-material simulator for modeling diverse object types (such as elastic, elastoplastic, cables) under manipulation, a penalty-based contact model for handling contact dynamics. The differentiable nature of our system facilitates gradient-based optimization for both 1) refining physical properties in simulation using real-world data, hence narrowing the sim-to-real gap and 2) efficient learning of tactile-assisted grasping and contact-rich manipulation skills. Additionally, we introduce a method to infer the optical response of our tactile sensor to contact using an efficient pixel-based neural module. We anticipate that DIFFTACTILE will serve as a useful platform for studying contact-rich manipulations, leveraging the benefits of dense tactile feedback and differentiable physics. Code and supplementary materials are available at the project website https://difftactile.github.io/.

  • 7 authors
·
Mar 13, 2024

Meta Reinforcement Learning with Finite Training Tasks -- a Density Estimation Approach

In meta reinforcement learning (meta RL), an agent learns from a set of training tasks how to quickly solve a new task, drawn from the same task distribution. The optimal meta RL policy, a.k.a. the Bayes-optimal behavior, is well defined, and guarantees optimal reward in expectation, taken with respect to the task distribution. The question we explore in this work is how many training tasks are required to guarantee approximately optimal behavior with high probability. Recent work provided the first such PAC analysis for a model-free setting, where a history-dependent policy was learned from the training tasks. In this work, we propose a different approach: directly learn the task distribution, using density estimation techniques, and then train a policy on the learned task distribution. We show that our approach leads to bounds that depend on the dimension of the task distribution. In particular, in settings where the task distribution lies in a low-dimensional manifold, we extend our analysis to use dimensionality reduction techniques and account for such structure, obtaining significantly better bounds than previous work, which strictly depend on the number of states and actions. The key of our approach is the regularization implied by the kernel density estimation method. We further demonstrate that this regularization is useful in practice, when `plugged in' the state-of-the-art VariBAD meta RL algorithm.

  • 3 authors
·
Mar 27, 2024

BRACE: Differential Privacy for Dense Associative Memory with LSR Energy

Dense associative memory (DAM) provides an energy-based framework for memory retrieval with close connections to attention mechanisms in modern artificial intelligence. Despite growing interest in differential privacy for AI, the privacy of DAM retrieval dynamics remains relatively unexplored. In this paper, we develop a differential privacy framework for log-sum-ReLU (LSR) dense associative memory, whose finite-support retrieval dynamics pose distinctive challenges for privacy-preserving computation. We propose the Boundary-Responsive Adaptive Correction Evolution (BRACE) algorithm, a differentially private retrieval mechanism for LSR-DAM that adaptively corrects boundary-sensitive perturbations to control their cumulative effect over the retrieval trajectory. In theory, we prove that our method is minimax optimal by deriving dimension-independent terminal and full-trajectory retrieval error rates, with optimal dependence on the inverse temperature and, in the growing-horizon regime, the retrieval horizon. We further establish central limit theorems that enable uncertainty quantification for private retrieval by characterizing its asymptotic distribution and the additional variability introduced by privacy. Numerical experiments compare our proposed method with baseline differential privacy approaches and evaluate its retrieval accuracy. Together, our results provide a theoretical foundation for optimal privacy-preserving retrieval and uncertainty quantification in energy-based associative memory systems.

  • 2 authors
·
Oct 7

Faster Rates of Convergence to Stationary Points in Differentially Private Optimization

We study the problem of approximating stationary points of Lipschitz and smooth functions under (varepsilon,delta)-differential privacy (DP) in both the finite-sum and stochastic settings. A point w is called an alpha-stationary point of a function F:R^drightarrowR if |nabla F(w)|leq alpha. We provide a new efficient algorithm that finds an Obig(big[sqrt{d}{nvarepsilon}big]^{2/3}big)-stationary point in the finite-sum setting, where n is the number of samples. This improves on the previous best rate of Obig(big[sqrt{d}{nvarepsilon}big]^{1/2}big). We also give a new construction that improves over the existing rates in the stochastic optimization setting, where the goal is to find approximate stationary points of the population risk. Our construction finds a Obig(1{n^{1/3}} + big[sqrt{d}{nvarepsilon}big]^{1/2}big)-stationary point of the population risk in time linear in n. Furthermore, under the additional assumption of convexity, we completely characterize the sample complexity of finding stationary points of the population risk (up to polylog factors) and show that the optimal rate on population stationarity is tilde Thetabig(1{n}+sqrt{d}{nvarepsilon}big). Finally, we show that our methods can be used to provide dimension-independent rates of Obig(1{n}+minbig(big[sqrt{rank}{nvarepsilon}big]^{2/3},1{(nvarepsilon)^{2/5}}big)big) on population stationarity for Generalized Linear Models (GLM), where rank is the rank of the design matrix, which improves upon the previous best known rate.

  • 6 authors
·
Jun 1, 2022

Automated Attack Synthesis by Extracting Finite State Machines from Protocol Specification Documents

Automated attack discovery techniques, such as attacker synthesis or model-based fuzzing, provide powerful ways to ensure network protocols operate correctly and securely. Such techniques, in general, require a formal representation of the protocol, often in the form of a finite state machine (FSM). Unfortunately, many protocols are only described in English prose, and implementing even a simple network protocol as an FSM is time-consuming and prone to subtle logical errors. Automatically extracting protocol FSMs from documentation can significantly contribute to increased use of these techniques and result in more robust and secure protocol implementations. In this work we focus on attacker synthesis as a representative technique for protocol security, and on RFCs as a representative format for protocol prose description. Unlike other works that rely on rule-based approaches or use off-the-shelf NLP tools directly, we suggest a data-driven approach for extracting FSMs from RFC documents. Specifically, we use a hybrid approach consisting of three key steps: (1) large-scale word-representation learning for technical language, (2) focused zero-shot learning for mapping protocol text to a protocol-independent information language, and (3) rule-based mapping from protocol-independent information to a specific protocol FSM. We show the generalizability of our FSM extraction by using the RFCs for six different protocols: BGPv4, DCCP, LTP, PPTP, SCTP and TCP. We demonstrate how automated extraction of an FSM from an RFC can be applied to the synthesis of attacks, with TCP and DCCP as case-studies. Our approach shows that it is possible to automate attacker synthesis against protocols by using textual specifications such as RFCs.

  • 5 authors
·
Feb 18, 2022

An Idealized Delay-Differential Model of Scuba Diver Porpoising and Runaway Ascent

A scuba diver holding constant depth balances on an unstable equilibrium: the gas carried in the suit and buoyancy compensator compresses with depth, so the buoyant force falls as the diver sinks and rises as the diver ascends. We represent the diver as a proportional-derivative controller that regulates this compressible-buoyancy saddle after a finite reaction delay, and we derive the governing delay differential equation from the vertical force balance and the isothermal gas law, reducing it to a damping ratio, two control gains, and a dimensionless delay. The characteristic spectrum, obtained by pseudospectral collocation of the semigroup generator and checked against a direct Newton solution of the characteristic equation, locates the Hopf boundary that separates stable hovering from sustained porpoising; for the baseline diver the critical reaction delay is 3.36 s and the onset period is 28.8 s. The bifurcation is supercritical, and because the saturating force is the quadratic hydrodynamic drag, the limit-cycle amplitude grows in proportion to the delay excess rather than as its square root. The safe-operating envelope shows that runaway ascent is triggered by saturation of the compensator, not by loss of linear stability, so a stable and an unstable diver can share the same escape threshold. As onset is approached, the lag-one autocorrelation and variance rise while the fitted recovery rate falls and matches the spectral abscissa, giving an eigenvalue-exact early warning of the transition.

  • 8 authors
·
Aug 14

PDE-Agents: An LLM-Orchestrated Multi-Agent Framework for Automated Finite Element Simulations with Knowledge Graph-Augmented Reasoning

We present PDE-Agents, a multi-agent ecosystem that automates the full lifecycle of partial differential equation (PDE) / finite element method (FEM) simulations through natural-language interaction. Three specialist large language model (LLM) agents (Simulation, Analytics, Database) are orchestrated via a LangGraph supervisor, with a local open-source LLM stack (Qwen3-Coder-Next, Llama 4 Scout) on dual NVIDIA RTX PRO 6000 GPUs. The architecture is model-agnostic, validated across two LLM generations. A GraphRAG knowledge base (Neo4j, 768-d vector embeddings) encodes curated material properties, known failure patterns, and prior run lineage. We report seven contributions: (i) a verification and validation (V&V) study confirming second-order spatial convergence (O(h^2)) on the heat-equation solver; (ii) a three-way ablation over 50 tasks with a frozen KG (KG On, KG Off, KG Smart), where KG Smart reaches 100% success and the highest output quality (physics 0.933 vs. 0.853 for KG Off; MPF 0.926 vs. 0.796); (iii) a novel-material experiment with three fictional materials known only to the KG, where KG Smart attains near-perfect material property fidelity (MPF = 1.00) versus 0.34 for the KG-free baseline; (iv) a failure analysis tracing KG On's three failures to budget exhaustion and timeout, establishing warm-start injection as the dominant reliability factor; (v) an adaptive framework selecting the optimal retrieval mode per task; (vi) production metrics from 1,369 runs (97.8% success, 57.6% first-try); and (vii) a 100-task KG growth experiment showing a difficulty-dependent gain, with hard-task MPF improving 8.8% while easy/novel tasks stay at ceiling. All code, models, and evaluation artifacts are released openly. Our findings show that integration pattern, not knowledge content, determines whether GraphRAG augmentation helps or hinders LLM agents.

  • 3 authors
·
Jun 4

Sparse Kernel Mechanisms for Locally Differentially Private Discrete Channels

We study sparse locally private discrete mechanisms generated by a nonnegative kernel and an input-dependent admissible output support. The support set is intentionally small relative to the ambient alphabet and acts as a mechanism-design parameter. This formulation covers metric-ball supports, sparse exponential mechanisms, sparse staircase mechanisms, sparse randomized response, sparse additive kernels such as Skellam perturbations, and Poisson-binomial-inspired bounded-support channels. We give a general exact characterization of pure and approximate local differential privacy for this sparse-kernel class. Pure local differential privacy forces all supports to coincide, so genuinely input-dependent sparse supports are incompatible with pure privacy. In the approximate regime, the privacy defect decomposes exactly into support leakage and overlap excess loss. We instantiate the formula for several discrete mechanism families. For sparse staircase mechanisms, a shell-ratio condition eliminates overlap excess loss. For graph-metric supports, overlap of metric balls is necessary for nontrivial privacy. For sparse randomized response, the support-leakage term has a closed form in terms of support mismatch. For generic radius-truncated additive kernels and, in particular, sparse Skellam mechanisms, we obtain exact finite-support formulas in terms of the Skellam CDF and an exact Bessel-ratio overlap condition. Numerical evaluations illustrate how support radius and kernel shape separately affect support leakage and overlap excess loss.

  • 3 authors
·
Oct 5

Privately Fine-Tuning Large Language Models with Differential Privacy

Pre-trained Large Language Models (LLMs) are an integral part of modern AI that have led to breakthrough performances in complex AI tasks. Major AI companies with expensive infrastructures are able to develop and train these large models with billions and millions of parameters from scratch. Third parties, researchers, and practitioners are increasingly adopting these pre-trained models and fine-tuning them on their private data to accomplish their downstream AI tasks. However, it has been shown that an adversary can extract/reconstruct the exact training samples from these LLMs, which can lead to revealing personally identifiable information. The issue has raised deep concerns about the privacy of LLMs. Differential privacy (DP) provides a rigorous framework that allows adding noise in the process of training or fine-tuning LLMs such that extracting the training data becomes infeasible (i.e., with a cryptographically small success probability). While the theoretical privacy guarantees offered in most extant studies assume learning models from scratch through many training iterations in an asymptotic setting, this assumption does not hold in fine-tuning scenarios in which the number of training iterations is significantly smaller. To address the gap, we present \ewtune, a DP framework for fine-tuning LLMs based on Edgeworth accountant with finite-sample privacy guarantees. Our results across four well-established natural language understanding (NLU) tasks show that while \ewtune~adds privacy guarantees to LLM fine-tuning process, it directly contributes to decreasing the induced noise to up to 5.6\% and improves the state-of-the-art LLMs performance by up to 1.1\% across all NLU tasks. We have open-sourced our implementations for wide adoption and public testing purposes.

  • 4 authors
·
Oct 26, 2022

Small-Gain Nash: Certified Contraction to Nash Equilibria in Differentiable Games

Classical convergence guarantees for gradient-based learning in games require the pseudo-gradient to be (strongly) monotone in Euclidean geometry as shown by rosen(1965), a condition that often fails even in simple games with strong cross-player couplings. We introduce Small-Gain Nash (SGN), a block small-gain condition in a custom block-weighted geometry. SGN converts local curvature and cross-player Lipschitz coupling bounds into a tractable certificate of contraction. It constructs a weighted block metric in which the pseudo-gradient becomes strongly monotone on any region where these bounds hold, even when it is non-monotone in the Euclidean sense. The continuous flow is exponentially contracting in this designed geometry, and projected Euler and RK4 discretizations converge under explicit step-size bounds derived from the SGN margin and a local Lipschitz constant. Our analysis reveals a certified ``timescale band'', a non-asymptotic, metric-based certificate that plays a TTUR-like role: rather than forcing asymptotic timescale separation via vanishing, unequal step sizes, SGN identifies a finite band of relative metric weights for which a single-step-size dynamics is provably contractive. We validate the framework on quadratic games where Euclidean monotonicity analysis fails to predict convergence, but SGN successfully certifies it, and extend the construction to mirror/Fisher geometries for entropy-regularized policy gradient in Markov games. The result is an offline certification pipeline that estimates curvature, coupling, and Lipschitz parameters on compact regions, optimizes block weights to enlarge the SGN margin, and returns a structural, computable convergence certificate consisting of a metric, contraction rate, and safe step-sizes for non-monotone games.

Lossfunk Lossfunk
·
Dec 7, 2025 2

Phonon vibrational and transport properties of SnSe/SnS superlattice at finite temperatures

The structural stability and phonon properties of SnSe/SnS superlattices at finite temperatures have been studied using machine learning force field molecular dynamics and the anharmonic phonon approach. The vertical SnSe/SnS superlattice undergoes a phase transition from the Pnma phase to a novel P4/nmm phase at finite temperatures, which is different from the high-temperature Cmcm phase of the SnSe and SnS systems. The stability of P4/nmm phase is determined by molecular dynamics trajectories and anharmonic phonon dispersion relations. The imaginary modes of TO modes at the q=M(1/2,1/2,0) point of the P4/nmm phase in harmonic approximation become rigid at elevated temperatures. An analysis of phonon power spectra upon temperature also confirms the dynamic stabilization. The P4/nmm phase has higher symmetry than the Pnma phase, and the phase transition between them is accompanied by competition between the Jahn-Teller effect and phonon anharmonicity. Unlike the anisotropic distribution of Sn-Se/S bonds in the Pnma phase, the P4/nmm phase forms chemical bonds with similar bond lengths both in-plane and interlayer, and their resonance effect can significantly enhance phonon scattering. The calculated phonon density of states and lifetime is strongly temperature dependent, demonstrating the heavy anharmonicity in the SnSe/SnS system. The P4/nmm phase has an extremely low lattice thermal conductivity, close to the experimental values of SnSe and SnS. Moreover, with the reduction of band gap and the enhancement of band degeneracy near the Fermi level, the P4/nmm phase exhibits superior electronic transport properties and significantly enhanced response to infrared and visible light. This makes it show great potential in thermoelectric and photovoltaic applications.

  • 4 authors
·
Feb 11, 2025

High-Accuracy Semi-Analytic Mode Functions, Ultraviolet Regularity, and Particle Creation in the Hybrid Approach to mLQC-I

We construct high-accuracy semi-analytic mode functions for scalar cosmological perturbations in mLQC-I within the hybrid approach to study ultraviolet regularity and gravitational particle creation. The evolution comprises an asymptotic pre-de Sitter branch, a pre-inflationary region containing the quantum bounce, and inflation. In the intermediate region, we construct the complete third-order uniform asymptotic solution and introduce adaptive defect correction. The third-order approximation achieves sub-percent complex-mode accuracy for representative higher-wavenumber modes; defect-corrected solutions agree with numerical evolution at the 0.00001% level over the tested low-wavenumber range. Retaining amplitudes and phases provides a controlled basis for future precision calculations of primordial power spectra and non-Gaussian correlations. We compare the de Sitter vacuum selected in the remote contracting branch with a fourth-order adiabatic state imposed at the bounce. Finite-wavenumber matching and the strict ultraviolet limit require different asymptotic treatments: extrapolating the leading connection to infinite wavenumber yields a spurious constant negative-frequency coefficient and an apparent ultraviolet divergence. Instead, the large-wavenumber de Sitter mode agrees with the fourth-order adiabatic expansion through the order required for energy-momentum tensor renormalization, and smooth exact evolution preserves this ultraviolet structure. Finite and intermediate modes can nevertheless undergo nonadiabatic Bogoliubov mixing and particle creation. Finite-mode particle production thus coexists with ultraviolet regularity. The ultraviolet argument also extends to the dressed-metric approach in its corresponding large-wavenumber regime, while quantitative mode functions must be recalculated using its effective mass.

  • 3 authors
·
Oct 6

Noncompactness for the constant $Q_{2N}$-curvature problem

For every integer Nge4, we construct a fixed smooth, non-locally-conformally-flat metric on the n-dimensional unit sphere S^n for which the constant Q_{2N}-curvature equation admits an L^infty-unbounded sequence of positive solutions. The construction applies for nge2N+20 when N=4,5, nge2N+19 when 6le Nle8, nge2N+18 when 9le Nle17, and nge2N+17 when Nge18. For each L in N cup {0}, the metric can be chosen arbitrarily close to the round metric in the C^L norm. Together with the known cases N=1,2,3, this establishes noncompactness at every order, with dimension bounds that we expect to be optimal. We derive an explicit formula for the fixed-volume Hessian of total Q_{2N}-curvature in transverse-traceless (TT) directions at closed Einstein metrics satisfying Ric=(n-1)g. Building on Juhl's formulas, we identify this Hessian, for every NinN and n>2N, as a degree-N polynomial in the Lichnerowicz Laplacian. For the metric perturbations generated by algebraic Weyl tensors in the construction, the quadratic reduced energy with fixed bubble center is a positive multiple of this Hessian restricted to a four-dimensional TT space. Differentiation with respect to the bubble scale then yields a finite matrix whose exact sign analysis establishes the required indefiniteness in the stated dimension ranges. After continuation to real n, this matrix changes from negative definite to indefinite at n_N=2N+a_*+c_*N^{-1}+O(N^{-2}) as Ntoinfty, with a_*approx16.201871 and c_*approx13.512880, explaining the eventual bound nge2N+17.

  • 3 authors
·
Oct 5

Improving equilibrium propagation without weight symmetry through Jacobian homeostasis

Equilibrium propagation (EP) is a compelling alternative to the backpropagation of error algorithm (BP) for computing gradients of neural networks on biological or analog neuromorphic substrates. Still, the algorithm requires weight symmetry and infinitesimal equilibrium perturbations, i.e., nudges, to estimate unbiased gradients efficiently. Both requirements are challenging to implement in physical systems. Yet, whether and how weight asymmetry affects its applicability is unknown because, in practice, it may be masked by biases introduced through the finite nudge. To address this question, we study generalized EP, which can be formulated without weight symmetry, and analytically isolate the two sources of bias. For complex-differentiable non-symmetric networks, we show that the finite nudge does not pose a problem, as exact derivatives can still be estimated via a Cauchy integral. In contrast, weight asymmetry introduces bias resulting in low task performance due to poor alignment of EP's neuronal error vectors compared to BP. To mitigate this issue, we present a new homeostatic objective that directly penalizes functional asymmetries of the Jacobian at the network's fixed point. This homeostatic objective dramatically improves the network's ability to solve complex tasks such as ImageNet 32x32. Our results lay the theoretical groundwork for studying and mitigating the adverse effects of imperfections of physical networks on learning algorithms that rely on the substrate's relaxation dynamics.

  • 2 authors
·
Sep 5, 2023

PFGM++: Unlocking the Potential of Physics-Inspired Generative Models

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

  • 6 authors
·
Feb 8, 2023

Colored Noise Diffusion Sampling

Diffusion models achieve state-of-the-art image synthesis, with their generative trajectories fundamentally exhibiting a spectral bias, resolving low-frequency global structures early and high-frequency fine details later. Conventional stochastic differential equation (SDE) solvers fail to account for this dynamic, naively injecting uniform white noise throughout the entire process and misusing the finite energy budget. In this work, we establish a mathematical framework that reconsiders SDE inference as a targeted, frequency-decoupled energy transfer. Leveraging this framework, we introduce Colored Noise Sampling (CNS), a novel, training-free stochastic solver. Rather than injecting uniform white noise, CNS utilizes a dynamic, timestep- and frequency-dependent schedule that more efficiently allocates injected energy toward structurally unresolved frequency bands. By actively exploiting the model's inherent spectral bias, CNS systematically steers the generated distribution toward the true data manifold. Extensive experiments demonstrate that CNS significantly outperforms standard ODE and SDE baselines as a strictly plug-and-play, inference-time sampler substitution across diverse architectures (SiT, JiT, FLUX). Compared to standard sampling on ImageNet-256, CNS achieves substantial unguided FID reductions, improving from 8.26 to 6.27 on SiT-XL/2, 32.39 to 26.69 on JiT-B/16, and 11.88 to 8.31 on JiT-H/16, while yielding consistent relative FID improvements with Classifier-Free Guidance. Project page is available at https://hadardavidson.github.io/CNS/.

Transducing Language Models

Modern language models define distributions over strings, but downstream tasks often require different output formats. For instance, a model that generates byte-pair strings does not directly produce word-level predictions, and a DNA model does not directly produce amino-acid sequences. In such cases, a deterministic string-to-string transformation can convert the model's output to the desired form. This is a familiar pattern in probability theory: applying a function f to a random variable Xsim p yields a transformed random variable f(X) with an induced distribution. While such transformations are occasionally used in language modeling, prior work does not treat them as yielding new, fully functional language models. We formalize this perspective and introduce a general framework for language models derived from deterministic string-to-string transformations. We focus on transformations representable as finite-state transducers -- a commonly used state-machine abstraction for efficient string-to-string mappings. We develop algorithms that compose a language model with an FST to *marginalize* over source strings mapping to a given target, propagating probabilities through the transducer without altering model parameters and enabling *conditioning* on transformed outputs. We present an exact algorithm, an efficient approximation, and a theoretical analysis. We conduct experiments in three domains: converting language models from tokens to bytes, from tokens to words, and from DNA to amino acids. These experiments demonstrate inference-time adaptation of pretrained language models to match application-specific output requirements.

  • 6 authors
·
Mar 4

OAM-Induced Lattice Rotation Reveals a Fractional Optimum in Fault-Tolerant GKP Quantum Sensing

Photon loss and dephasing rapidly degrade the sensitivity of quantum sensors, yet systematic methods for designing error-correcting codes whose geometry is simultaneously adapted to the sensing task and the noise channel do not exist. Here we establish that orbital-angular-momentum (OAM) encoding and Gottesman-Kitaev-Preskill (GKP) lattice geometry are structurally coupled: an OAM mode of topological charge ell induces a phase-space rotation θ_ell=ellπ/ell_{max}, corresponding to a family of twisted GKP stabilizer lattices. Using an end-to-end differentiable Strawberry Fields--TensorFlow circuit, we jointly optimise ell, the lattice aspect ratio r, and the finite-energy envelope ε to maximise quantum Fisher information subject to P_{rm err}leq10^{-3}. The optimum occurs at the fractional charge ell=1.5 (θ=67.5^circ), implementable with a half-integer spiral phase plate, which reduces P_{rm err} by 23.9times relative to the square-lattice baseline while leaving F_Q unchanged to within 0.2%. This surpasses the best integer value (ell=2, 15.7times) and arises from an exact 180^circ periodicity of the P_{rm err}(θ) landscape, confirmed analytically and numerically. We derive a transcendental balance equation for the optimal angle θ^*(η,γ,r) and prove that it decreases with both γ and η. A Shannon-inspired metrological capacity C=F_Qcdot(-ln P_{rm err}), maximised at ell=1.5 with a 41% gain over the square lattice, quantifies the joint sensitivity--fault-tolerance resource. These results establish a geometric design principle for noise-adaptive quantum sensors and a fully open-source differentiable template extensible to other bosonic code families.

  • 2 authors
·
May 13

Efficient 3D Articulated Human Generation with Layered Surface Volumes

Access to high-quality and diverse 3D articulated digital human assets is crucial in various applications, ranging from virtual reality to social platforms. Generative approaches, such as 3D generative adversarial networks (GANs), are rapidly replacing laborious manual content creation tools. However, existing 3D GAN frameworks typically rely on scene representations that leverage either template meshes, which are fast but offer limited quality, or volumes, which offer high capacity but are slow to render, thereby limiting the 3D fidelity in GAN settings. In this work, we introduce layered surface volumes (LSVs) as a new 3D object representation for articulated digital humans. LSVs represent a human body using multiple textured mesh layers around a conventional template. These layers are rendered using alpha compositing with fast differentiable rasterization, and they can be interpreted as a volumetric representation that allocates its capacity to a manifold of finite thickness around the template. Unlike conventional single-layer templates that struggle with representing fine off-surface details like hair or accessories, our surface volumes naturally capture such details. LSVs can be articulated, and they exhibit exceptional efficiency in GAN settings, where a 2D generator learns to synthesize the RGBA textures for the individual layers. Trained on unstructured, single-view 2D image datasets, our LSV-GAN generates high-quality and view-consistent 3D articulated digital humans without the need for view-inconsistent 2D upsampling networks.

  • 6 authors
·
Jul 11, 2023

Doping the chiral spin liquid -- topological superconductor or chiral metal?

We point out that there are two different chiral spin liquid states on the triangular lattice and discuss the conducting states that are expected on doping them. These states labeled CS1 and CS2 are associated with two distinct topological orders with different edge states, although they both spontaneously break time reversal symmetry and exhibit the same quantized spin Hall conductance. While CSL1 is related to the Kalmeyer-Laughlin state, CSL2 is the ν=4 member of Kitaev's 16 fold way classification. Both states are described within the Abrikosov fermion representation of spins, and the effect of doping can be accessed by introducing charged holons. On doping CSL2, condensation of charged holons leads to a topological d+id superconductor. However on doping CSL1 , in sharp contrast , two different scenarios can arise: first, if holons condense, a chiral metal with doubled unit cell and finite Hall conductivity is obtained. However, in a second novel scenario, the internal magnetic flux adjusts with doping and holons form a bosonic integer quantum Hall (BIQH) state. Remarkably, the latter phase is identical to a d+id superconductor. In this case the Mott insulator to superconductor transition is associated with a bosonic variant of the integer quantum Hall plateau transition for the holon. We connect the above two scenarios to two recent numerical studies of doped chiral spin liquids on triangular lattice. Our work clarifies the complex relation between topological superconductors, chiral spin liquids and quantum criticality .

  • 3 authors
·
Nov 19, 2020