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#machine learning Preprint Open access Sep 2026

GRADSOLVE: fast exact gradients for ODE ensembles on GPUs

Ordinary differential equations (ODEs) underlie models in science and engineering, and many applications need derivatives of their solutions with respect to parameters. Ensembles of independent trajectories suit graphics processing units (GPUs), but current GPU software forces a trade-off: the fastest ensemble solvers cannot be differentiated in reverse mode at the speed they solve, and the solvers built for differentiation solve more slowly. No single tool has yet offered a reverse-mode gradient at the speed of a fused-kernel solve. We present GRADSOLVE, an open-source JAX library for solving and reverse-mode differentiating low-dimensional ODE ensembles on NVIDIA GPUs. It records the steps an adaptive solver accepts and differentiates a fixed-step replay of them; the returned gradient is the exact discrete adjoint of those steps, the same derivative Diffrax returns by default, obtained more cheaply from a fixed-length chain than from an adaptive loop. It targets ensembles differentiated many times against one recorded mesh, keeps Diffrax as a fallback, and supports explicit and Rosenbrock integrators. Used as a solver, GRADSOLVE's forward-only kernel ran 2.8x faster than DiffEqGPU.jl; used for gradients, once a record exists, it computed them 5.6-14.1x faster than Diffrax's checkpointed adjoint at matched forward-state accuracy across three GPU generations, the advantage narrowing on large ensembles and, on stiff systems, down to parity at tight accuracy. GRADSOLVE is released at https://github.com/ECLIPSE-AI4Science/gradsolve.

Alessio Spurio Mancini · 0 citations
#machine learning Preprint Sep 2026

Improved Gradient Descent Lower Bounds Beyond Nesterov

We study how far gradient descent (GD) can be accelerated by predetermined stepsizes in smooth convex optimization. Going beyond the classical $\Omega(n^{-2})$ first-order oracle lower bound of Nemirovsky and Yudin (1983), we prove an $\Omega(n^{-1.6342})$ non-anytime lower bound and an $\Omega(n^{-1.2408})$ anytime lower bound. These improve the recent $\Omega(n^{-1.932})$ non-anytime lower bound of Ma and Chen (2026) and the $\Omega(n^{-4/3})$ anytime lower bound of Tsai et al. (2026), respectively. Both results continue to hold when the stepsizes may be negative. Our anytime lower bound also shows that the $O(n^{-\log_2(1+\sqrt{2})})$ rate of non-anytime silver schedules (Altschuler and Parrilo, 2025; Grimmer et al., 2025) is unattainable in the anytime setting. This establishes a strict separation between the two settings.

Yutian Ye, Kai-Zhao Liu · 1 citation
#machine learning Preprint Open access Sep 2026

Learning Spectral-Like Mesh-Free Discretisations

Meshfree methods such as smoothed particle hydrodynamics (SPH) with kernel corrections, radial basis function-generated finite differences (RBF-FD), and the local anisotropic basis function method (LABFM) construct discrete differential operators by imposing polynomial consistency on a local stencil. For stencils containing more nodes than there are consistency constraints, the resulting linear system is underdetermined, and the remaining degrees of freedom are fixed implicitly by the choice of kernel, basis preconditioning, or a minimum-norm condition. Polynomial consistency constrains the operator only in the low-wavenumber limit, and no part of the construction selects for accuracy at the wavenumbers where fine-scale content resides. We introduce Spectral-like Neural Discretisation (SpeND), in which the choice of those degrees of freedom is cast as a learning problem: stencil weights are parametrised by a neural network conditioned on the local node geometry, trained to approximate the modal response of a spectral operator over the resolvable band. A hard-constrained projection layer maps the network output onto the affine subspace of consistent weights, so that polynomial consistency holds exactly by construction rather than as a penalty. Training is self-supervised and physics-agnostic, requiring no reference solutions; the objective minimises dispersion and dissipation error over a prescribed band-limited function space. Modal analysis on disordered two-dimensional node distributions shows that the learned fourth-order operator follows the exact response over a substantially wider band than either explicit LABFM at equal stencil size or fourth-order finite differences on a structured grid, whilst recovering the expected fourth-order convergence rate under refinement.

Lucas Gerken Starepravo, Henry Broadley, Steven Lind et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Full-Model Optimality for Tunable Linear Generative Priors in Compressed Sensing

Generative models have been studied experimentally and theoretically as priors for inverse problems such as compressed sensing. Recent work by Gunn et al. studied the use of generative priors with tunable complexity, where a family of generative priors with varying complexity is maintained and a specific complexity can be selected at inversion time. They demonstrated that lower reconstruction errors can be experimentally attained for a variety of inverse problems by appropriately tuning the complexity of the generative prior. In the present paper, we establish theory for compressed sensing in the setting of a tunable family of linear generative priors naturally related through their singular value decompositions. We prove that in noiseless Gaussian compressed sensing, the full-dimensional linear prior attains the minimum expected reconstruction error over the entire family of linear priors. Thus, in this idealized linear noiseless setting, tuning to a lower-complexity prior does not improve the expected reconstruction error. This result is in contract to the behavior of denoising, where lower complexity priors attain lower reconstruction errors due to a standard bias-variance tradeoff. This result indicates that the experimental benefits of tunability in compressed sensing with neural network priors arises due to nonlinearities in the generative models.

Zhaoming Li, Paul Hand · 0 citations
#machine learning Preprint Sep 2026

CodePoisonRAG: Knowledge Poisoning Attacks on Retrieval-Augmented Code Generation

Retrieval-Augmented Code Generation (RACG) improves LLM-based software development by retrieving external code artifacts, documentation, and patches, and incorporating them into the generation context. This reliance on external knowledge introduces a critical trust boundary: poisoned artifacts can influence generated code without modifying the underlying LLM. Prior work shows that selecting existing vulnerable examples can increase the general vulnerability rate of RACG outputs, but leaves open whether a black-box attacker can construct a single task-matched artifact that propagates an attacker-selected weakness. We introduce CodePoisonRAG, a targeted upstream knowledge-poisoning framework that transforms benign fixed-code entries into poisoned artifacts. Its attack chain combines CWE-specific Vulnerability Injection, which embeds a selected source-to-sink flow while retaining task alignment, with Semantic Mislabeling, which adds false safety claims without repairing the vulnerable behavior. The attacker has no access to the victim's deployed knowledge base, retriever, re-ranker, generator, prompt, or defense mechanism and injects at most one artifact per anticipated programming task. We construct 85 poisoned artifacts covering ten CWE classes across Java and C, yielding an aggregate corpus-poisoning ratio of 0.7%. Across three generators, all 85 artifacts appear among the Top-3 results for their corresponding queries, and CodePoisonRAG achieves attack success rates between 0.80 and 0.93. Against CodeGuarder, which injects vulnerability-specific security knowledge into the generation context, the attack retains success rates between 0.40 and 0.71. These results show that RACG poisoning extends beyond the incidental propagation of existing vulnerabilities to the targeted construction and propagation of attacker-selected weaknesses.

Varun Gadey, Ziad Marey, Alexandra Dmitrienko · 0 citations
#machine learning Preprint Open access Sep 2026

SPADE: SPaT Attack Detection from the Connected Vehicle's Perspective

Signal Phase and Timing (SPaT) messages are a cornerstone of connected vehicle (CV) safety, enabling CVs to perceive and respond to intersection state through Vehicle-to-Infrastructure (V2I) and Vehicle-to-Vehicle (V2V) communication. The integrity of these messages is threatened by a range of application-layer attacks that can bypass conventional authentication when a roadside unit or peer vehicle is compromised. Existing intrusion detection research either defends the infrastructure side or targets V2V Basic Safety Message (BSM) / Cooperative Awareness Message (CAM) misbehavior, leaving the onboard CV perspective on SPaT integrity unaddressed.To close this gap, we introduce SPADE --- the SPaT Attack Detection and Evaluation dataset --- a labelled, multi-modal, simulation-based dataset designed specifically for deep learning IDS research in this space. SPADE is generated through Eclipse MOSAIC using runtime attack injection at the SAE J2735 application layer across six attack classes and one benign class. By combining four intersection geometries, six operating conditions, and five independent random-seed repetitions, SPADE comprises 180 unique base scenario runs, yielding $\sim$1,890,000 labelled timestep records (270,000 per class). Each record fuses SPaT message fields, onboard camera confidence scores, and cooperative V2V peer data across 40 features, reflecting the multi-modal signal space required to distinguish deliberate attacks from environmental degradation. The dataset, generation code, and scenario configurations are released publicly to support reproducible and comparative IDS research in C-V2X security. The developed toolbox, instructions, and dataset link are publicly available on GitHub: https://github.com/jdinovo/SPADE.

James Di Novo, Hany Ragab, Sylvain P. Leblanc · 0 citations
#machine learning Preprint Open access Sep 2026

Momentum in large-batch training: Polyak enlarges the critical batch size, Nesterov improves data efficiency

We study when and how momentum improves large-batch training in the one-pass regime, using power-law kernel regression as a tractable setting. We first characterize risk stability through the critical learning rate, defined as the largest learning rate for stable training, and obtain $\eta_{\mathrm{SGD}}^{\mathrm{crit}}\eqsim 1$, $\eta_{\mathrm{Polyak}}^{\mathrm{crit}}\eqsim \min\{1,B(1-\rho)\}$, and $\eta_{\mathrm{Nesterov}}^{\mathrm{crit}}\eqsim \min\{1,B^\beta(1-\rho)\}$, where $B$ is the batch size, $\rho$ is the momentum factor, and $\beta>1$ is the capacity exponent. Within this admissible region, we derive scaling laws for the full risk dynamics, capturing the progression from an early transient, through power-law decay, to a noise floor. We then minimize the final-step risk over the admissible learning rates and momentum factors under a fixed data budget, yielding a three-regime batch-size phase diagram that reveals how the role of momentum changes with batch size. Notably, Polyak enlarges the critical batch size, the largest batch size preserving the best small-batch data-scaling exponent, thereby enabling greater parallelism without sacrificing data efficiency. In contrast, Nesterov achieves better data efficiency in the large-batch regime because its look-ahead mechanism suppresses noise accumulation. Numerical experiments validate the predicted stability boundaries, risk dynamics, and batch-size phase diagram.

Jia-Nan Wang, Zixun Huang, Kairui Li et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Neural operators approximate strongly continuous convex monotone semigroups

We approximate strongly continuous convex monotone semigroups by learning their Chernoff-type one-step operators with neural operators. First, we introduce the general class of so-called Chernoff-neural operators and show in a universal approximation theorem that they can approximate the Chernoff one-step operators arbitrarily well. By using stability estimates between weighted H\"older spaces, the one-step approximation error can be propagated through the iterations which yields universal approximation of the corresponding semigroup. Second, we introduce the more specialized class of envelope-neural operators for envelope semigroups which allows us to derive quantitative approximation rates. Finally, we illustrate the effectiveness of these neural operators in several numerical examples arising from non-linear partial differential equations, stochastic optimal control and stochastic processes under model uncertainty.

Jonas Blessing, Philipp Schmocker, Alessandro Sgarabottolo · 0 citations
#machine learning Preprint Open access Sep 2026

Eliciting ESG Preferences for Reinforcement Learning-Based Portfolio Optimization

Modern portfolio management increasingly demands a balance between traditional risk-adjusted returns and strict Environmental, Social, and Governance (ESG) mandates. Current Reinforcement Learning (RL) approaches typically optimize for a single ESG provider, neglecting the significant divergence in rating methodologies across the industry and the unintuitive nature of manually weighting conflicting objectives. This paper addresses these limitations by formulating ESG-aware portfolio optimization as a Multi-Objective Reinforcement Learning (MORL) problem that simultaneously incorporates ratings from three distinct ESG agencies. To bridge the gap between high-dimensional algorithmic trade-offs and human decision-making, we integrate a Preference Elicitation framework using Gaussian Processes. This system enables practitioners to infer their latent utility functions through intuitive pairwise comparisons of candidate portfolios based on their Sharpe ratios and aggregate ESG scores. We systematically evaluate our framework by employing Large Language Model (LLM) personas to simulate Portfolio Managers operating under varied regional contexts. Empirical results using historical market data reveal that regional backgrounds fundamentally shift the derived preference weights. For instance, European-based personas tend to prioritize ESG alignment over financial returns, while Texas-based personas favor risk-adjusted performance. This work offers a highly adaptable framework that successfully aligns multi-objective algorithmic trading with diverse, real-world human sustainability preferences.

Giovanni Dispoto, Marcello Restelli, Carmine Ventre · 0 citations
#machine learning Preprint Open access Sep 2026

oHC: Orthogonal Hyper-Connections on SO(4) via Quaternions

Hyper-Connections (HC) replace the single residual stream of a Transformer with $n$ parallel ones, mixing them at every layer with a learned $n \times n$ residual matrix. Leaving that matrix unconstrained places no limit on the factor by which the mixing step rescales the residual streams, and that factor compounds across layers, which destabilizes training. Manifold-constrained Hyper-Connections (mHC) address this by restricting the matrix to the doubly stochastic matrices. That caps the factor at one, so the mixing can no longer amplify any direction, but nothing bounds it from below. We prove that inside this set the mixing step can reduce the norm of the residual streams only by shrinking the differences between the streams, while their mean is left unchanged; and since the reduction accumulates over layers, the streams grow more alike and their diversity is spent with depth. We therefore propose Orthogonal Hyper-Connections (oHC), restricting the residual matrix to the rotation group $SO(n)$, so that the mixing step can neither amplify nor attenuate the residual streams in any direction, which keeps training stable and no longer forces the differences between the streams to contract. Specifically, at the four streams used by recent HC models we parameterize the group in closed form by a pair of unit quaternions, which adds no parameters, replaces the iterative projection with a fixed pattern of signed additions, and can be constructed faster than mHC. We evaluate oHC across a comprehensive set of downstream tasks, where it outperforms the single-stream residual baseline, mHC and iHC, which fixes the residual matrix to the identity.

Haoqiang Guo, Xuyi Chen, Bo Ke et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Dimension Dependent Correlation Gap Bounds under Restricted Independence

The pairwise independent correlation gap is the ratio of the maximum expected value of a set function under arbitrary dependence to that under pairwise independence, measuring the loss from this independence restriction. Under mutual independence, this gap is universally bounded by $e/(e-1)$ for monotone submodular functions. With pairwise independence, a tighter $4/3$ upper bound was established for several special cases, including $n=3$, and conjectured to hold universally. A recent AI-assisted counterexample disproved this conjecture for $n=5$, leaving the validity of the $n=4$ bound and the tight worst case bound open. We resolve both questions. First, for $n=4$, we establish that the $4/3$ bound holds universally and is tight using an AI-assisted proof combining theoretical analysis and computational verification. The proof combines a structural characterization of optimal numerator vertices, permutation symmetry, cone certificate systems, Bernstein polynomial representations, recursive simplex subdivision, and verification of $2,745$ Bernstein coefficient systems. Second, we show that the worst case pairwise independent correlation gap attains $e/(e-1)$ asymptotically by constructing an instance with identical marginal probabilities and a monotone submodular union coverage function on a ground set partitioned into $m$ blocks. The number of blocks grows sublinearly with the ground set size. The result follows by constructing a feasible solution to a scaled asymptotic reduced dual of the pairwise independent linear program and immediately extends to $t$-wise independent random elements ($t\ge2$), since $t$-wise independence implies pairwise independence. Thus, pairwise independence, despite being the least restrictive form of independence in the $t$-wise independence hierarchy, can be as restrictive as mutual independence in the worst case.

Arjun Ramachandra · 0 citations
#machine learning Preprint Open access Sep 2026

Scalable Direction-Following TTS via Voice Impression-Guided Pseudo Triplet Construction

Voice actors often re-read the same script while modifying their delivery in response to performance directions. We study this setting as direction-following TTS, where a system generates a new utterance that reflects a given direction relative to a reference utterance while preserving speaker identity and linguistic content. A key challenge is the lack of training data capturing such relative modifications. To address this, we propose a scalable pseudo-triplet construction pipeline that generates~(reference utterance, direction text, modified utterance) triplets. It generates controlled style variations using an impression-controllable TTS model and uses an LLM to produce natural language directions from estimated impression differences. Experimental results demonstrate that pseudo-triplets alone enable stable speaker-preserving modification, and that combining pseudo and recorded data further improves direction alignment while maintaining speaker similarity. Audio examples are available on our demo page https://ntt-hilab-gensp.github.io/IS2026pseudo/

Kenichi Fujita, Yusuke Ijima · 0 citations

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MIT News · Artificial Intelligence Aug 27, 2026

Looking beyond natural sequences

A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.

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