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1,162 papers

#machine learning Preprint Open access Sep 2026

On the Recoverability of Private Information Unlearning in Large Language Models

Large language models (LLMs) can memorize sensitive information, raising serious privacy concerns. Machine unlearning offers a potential solution to remove such information, but it remains unclear whether existing methods truly erase it or merely hide it within the model. A key challenge is quantifying the persistence of sensitive data under a unified evaluation framework. To address this, we construct a synthetic dataset containing fake private information and propose a white-box auditing framework to systematically assess whether claimed-forgotten information is genuinely removed. Using this framework, we evaluate five existing unlearning methods and find that a simple "inverse greedy" decoding -- selecting the least likely token at each step -- can recover supposedly forgotten private information. Our results reveal that current unlearning approaches often fail to fully eliminate sensitive information, highlighting the need for more reliable methods to ensure privacy in deployed LLMs.

Shicheng Hu, Runzhi Tian, Ziqiao Wang et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Diffusion-Based Inverse Design of Dielectric Resonator Metasurfaces for Shaping Smart Electromagnetic Environments

Future wireless systems are expected to transform the surrounding space from a passive propagation medium into a smart electromagnetic environment, where engineered surfaces control wave propagation, support wireless sensing, and create programmable electromagnetic fingerprints. A key challenge in realizing this vision is the inverse design of metasurfaces for tailored electromagnetic propagation. While forward analysis evaluates the response of a known geometry, the inverse task starts from a prescribed scattering signature and seeks a physically realizable structure that produces it. This inverse task is inherently nonlinear and often high-dimensional, while candidate solutions may be non-unique and provide no direct indication of practical realizability. Here, we introduce a conditional diffusion framework for inverse design of dielectric resonator metasurfaces from target angular scattering patterns. Trained on T-matrix simulated geometry-response pairs, the model learns a conditional distribution of geometries instead of a deterministic mapping, enabling multiple candidate designs for the ill-posed inverse problem. The best generated metasurface achieves a mean percentage error of 1.39%, outperforming CMA-ES optimization (4.1% after 10 h) while requiring only about one minute for after-training inference. The model also produces lower error distributions than deterministic neural baselines for out-of-distribution spectra, highlighting the potential of diffusion models for efficient metasurface design.

M. Tsukerman, K. Grotov, D. Vovchuk et al. · 0 citations
#artificial intelligence Preprint Open access Sep 2026

INTERVenE: Temporal-Abstraction-Interval Based Transformers for Short-Horizon Medical Event Prediction

Electronic Health Record (EHR) prediction models in the intensive care unit must learn from sparse and irregular measurements while preserving the clinical meaning of time and supporting transparent decision-making. We present INTERVenE, a family of Transformer architectures whose input is an interval-based, knowledge-based temporal abstraction (KBTA), a token stream of named clinical concepts (states, trends, events, contexts) drawn from a curated medical ontology, rather than an unnamed bin index or a raw measurement triplet. This naming layer is what we ask KBTA to do: it makes the model's per-token attributions resolve to clinical concepts by construction. INTERVenE offers two complementary variants: an auto-regressive decoder that generates future abstraction trajectories with a per-step risk readout (localizing \emph{when} and \emph{after which events} risk rises), and a bidirectional encoder for single-pass joint risk and time-to-event prediction. Evaluated on 57,078 MIMIC-IV admissions against GRU-D, STraTS, and KarmaLego, INTERVenE-Enc reaches a support-weighted AUPRC$_w$ of 0.672, improving by 0.041 over the strongest neural baseline with non-overlapping 95\% bootstrap CIs, while also taking the best AUROC$_w$ (0.901) and length-of-stay MAE (44.4\,h). INTERVenE-Ar (AUROC$_w$ $0.854$, AUPRC$_w$ $0.587$ under the same evaluation contract - a strictly harder generative readout) provides a complementary token-level risk trajectory. An input-representation ablation confirms the lift transfers across structured discretizations, positioning KBTA-based intervals as the interpretable substrate that makes per-token attributions resolve to meaningful clinical concepts within the deployed model.

Shahar Oded, Yuval Shahar · 0 citations
#machine learning Preprint Open access Sep 2026

Joint Spatiotemporal Spectral Neural Operators for Learning PDEs on Irregular Domains

Learning solution operators for partial differential equations (PDEs) on irregular and geometry-dependent domains remains a central challenge in scientific machine learning. While spectral methods provide strong inductive biases for modeling global interactions, they are typically limited to regular domains, and existing neural approaches often require domain warping, interpolation, or costly geometric embeddings. We introduce the \textbf{Graph Spectral Neural Operator (GSNO)}, a neural operator that combines spatial graph spectral decompositions with temporal Fourier transforms through a unified space--time spectral kernel. This formulation enables globally coherent operator learning on non-Cartesian discretizations without domain warping or autoregressive rollouts. By replacing learned geometric embeddings with a graph Laplacian spectral basis, GSNO provides geometry-aware spectral learning with low parameter complexity. Across steady and unsteady PDE benchmarks on irregular and geometry-dependent domains, GSNO achieves strong accuracy with reduced runtime and parameter counts, while demonstrating robust zero-shot generalization across mesh resolutions and geometry families.

Abdolmehdi Behroozi, Chaopeng Shen · 0 citations
#machine learning Preprint Open access Sep 2026

Sensitivity-Constrained Neural Operators for Data-Efficient Forward and Inverse Modeling of Partial Differential Equation Systems

Neural operators provide fast surrogates for partial differential equation (PDE) solvers, but their reliability can degrade for high-dimensional spatial inputs and inverse or repeated inference. State-only training constrains solution values but not the learned input--output response. We study sensitivity-constrained neural operators (SC-NOs), which augment standard training with sampled solver-derived Jacobian supervision. Selected sensitivities from differentiable solvers or discrete adjoints are matched during training, allowing response information to be amortized across minibatches without imposing the full Jacobian at every update. We evaluate SC-NO on advection--diffusion and RANS--Spalart--Allmaras benchmarks, input-dimensionality scaling tests, long-horizon autoregressive rollout, and a shallow-water Tohoku tsunami source-inversion case. Sensitivity supervision improves forward prediction and yields larger gains in gradient-based inverse reconstruction of distributed fields. Scaling experiments show an improved accuracy--cost tradeoff for high-dimensional gridded inputs, while ablations indicate that state values and Jacobian information provide complementary supervision. In the tsunami case, SC-FNO reconstructs gridded seafloor deformation from sparse early gauge observations and forecasts subsequent wave propagation in a near-real-time proof-of-concept workflow. These results support sampled sensitivity supervision as a practical way to improve neural PDE surrogates when forward accuracy, inverse stability, robustness, and computational cost must be considered together.

Abdolmehdi Behroozi, Chaopeng Shen, Daniel Kifer et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Structural Hierarchy and Geometry in Molecular Representation Learning

Molecular self-supervised learning uses chemical structures to guide which molecular embeddings should be similar. We study whether explicitly encoding a molecule's Bemis-Murcko scaffold and using it to supervise the molecular embedding changes what the model learns. We further test whether this effect depends on the embedding geometry by comparing Euclidean and Lorentz contrastive objectives. Across two augmentation strengths, scaffold-supervised models consistently organize molecules according to both identical and structurally related scaffolds. The resulting embeddings also improve molecular property prediction on several tasks, while the exact gains depend on the predicted property. The effect of scaffold supervision on molecular organization is stronger under Lorentz objectives, but neither geometry provides a consistent overall advantage. These results show that explicitly teaching the relation between a molecule and its structural core can reliably shape the organization of molecular embedding space, while the extent of usefulness of this organization remains task dependent.

David Sulu, Lorenzo Di Fruscia, Jana M. Weber · 0 citations
#machine learning Preprint Open access Sep 2026

Towards an Expressivity-Normalized Energy-Demand Comparison of ANNs and SNNs

Spiking neural networks (SNNs) are often regarded as energy-efficient alternatives to artificial neural networks (ANNs), yet their advantage depends critically on both network architecture and data properties. We develop an analytical framework to compare fully-connected ReLU ANNs and integrate-and-fire SNNs for time-series data with respect to their theoretical energy efficiency at matched expressive capacity. By relating an inference-energy model to theoretical bounds on representational expressivity, we derive an expressivity-normalized efficiency ratio and explicit thresholds in network width, spike sparsity, and ANN depth scaling. Our analysis characterizes the regimes in which event-driven computation offsets the temporal overhead of SNNs, providing capacity-aware principles for designing energy-efficient temporal networks. It shows that ANNs exceed SNNs in expressivity-normalized efficiency only in specific regimes.

Miriam Kranzlm\"uller, Pascal Esser, Gitta Kutyniok · 0 citations
#machine learning Preprint Open access Sep 2026

Partially Linear Autoencoders for Manifold Learning and Dimensionality Reduction

Autoencoders are widely used for nonlinear dimensionality reduction and manifold learning. While most common implementations rely on both nonlinear encoders and decoders, we investigate the specific role of the encoder and the extent to which it can be constrained to be linear without reducing accuracy. We conduct a comparative study on four autoencoder architectures: standard fully nonlinear autoencoders (AE), linear-encoder autoencoders (Lenc-AE), linear-decoder autoencoders (Ldec-AE), and fully linear autoencoders (LAE), evaluated on synthetic manifolds, computational mechanics data sets, and real-world image data sets including MNIST. We demonstrate that imposing a linear encoder preserves most of the representational capacity of the autoencoder, provided the decoder remains nonlinear. In particular, Lenc-AE consistently outperforms both Ldec-AE and LAE, and achieves reconstruction quality comparable to fully nonlinear AE, while offering advantages in terms of parsimony and interpretability of the latent representation. These results suggest that the nonlinear decoder is the critical component for manifold learning, rather than the encoder. A geometric interpretation of this finding is developed, which identifies the precise conditions under which a linear encoder is sufficient, and the specific manifold configurations that expose its limitations.

Louen Pottier, Louis Lesueur, Anders Thorin · 0 citations
#machine learning Preprint Open access Sep 2026

Uncertainty-Driven Replay Memory for Reinforcement Learning

Uncertainty estimation provides promising capabilities for reinforcement learning (RL) agents. Notably, estimating uncertainty can reduce the training time and enable agents to obtain greater rewards over time by exploiting information related to whether an action would facilitate exploration of portions of an environment that are well-known versus those that are relatively unknown. In this work, we propose a novel formulation of the experience replay buffer commonly used in RL that we call uncertainty-driven replay memory (UDRM), which entails an update scheme for internally stored memories based on uncertainty estimates obtained by an RL model during training. In contrast to existing forms of RL, which typically use temporal difference error or the distribution of transitions to update the replay memory buffer and train RL controllers, our scheme biases the memory buffer to store more uncertain transitions that will improve an RL agent's generalization throughout training. Experimental results demonstrate that our proposed uncertainty-aware replay buffer enables an RL agent to obtain higher rewards during training compared to other existing uncertainty-aware RL frameworks.

Sheeraja Rajakrishnan, Alexander G. Ororbia, Travis Desell et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Designing for the Next Click: Bandits for Real-Time Page Layout

E-commerce platforms increasingly personalize user experiences through machine learning, yet page layout decisions remain dominated by static rules and manual curation. We present a scalable bandit-based system that optimizes product page layouts in real time while preserving human control over design intent. A contextual bandit model dynamically selects the most effective layout for each session using user, item, and category-level features. The system leverages a LinUCB-based policy to balance exploration and exploitation as it learns from live user interactions. The architecture is designed for seamless integration into large-scale web serving stacks, supporting low-latency inference and continuous model updates. The system was first tested on entry product pages. In online A/B deployments on a major retail platform, our approach achieved positive lifts in session-level performance metrics over a strong heuristic baseline. Our results demonstrate that contextual bandits can effectively optimize visual and structural aspects of product discovery for user engagement, providing a scalable path toward learning-to-design the web.

Bhavtosh Rath, Harshith Narasimhamurthy, Bob Eisinger et al. · 0 citations
#machine learning Preprint Open access Sep 2026

Structure Aware Neural Architecture Search for Mixture of Experts

Neural Architecture Search (NAS) has so far rarely been applied to Mixture-of-Experts (MoE) models, and existing MoE designs leave the alignment between experts and the structure of the data to emerge on its own. We propose an architecture search framework that makes this alignment an explicit search variable: the assignment of data clusters to experts is optimised jointly with the per-expert architectures. We cast the joint problem as a cluster-aware likelihood maximisation, show that it coincides with the incomplete-data maximum likelihood of a latent-variable mixture, and solve it by a generalised Expectation-Maximisation procedure whose otherwise intractable expert-quality term is supplied by an adaptively refined surrogate. We prove that the iterates converge whenever the surrogate errors are summable, and that at every limit point no candidate the search produces improves the true objective. On a heterogeneous image-classification mixture the method recovers the underlying domain partition on 95% of clusters without ever observing domain labels, and on that benchmark and a four-domain time-series forecasting one alike it outperforms the MoE and NAS baselines that likewise use no label information.

Petr Babkin, Oleg Bakhteev · 0 citations
#machine learning Preprint Open access Sep 2026

PruneShift: A Framework for Evaluating Decision Reliability in Structured Pruning

Structured pruning uses surrogate objectives because direct task evaluation over every feasible mask is too expensive. Most evaluations report average surrogate error or rank correlation on broadly sampled masks. These summaries do not directly test the mask chosen by the surrogate. We introduce PruneShift, an evaluation framework that separates broad predictive fidelity, fidelity near selector outputs, and the quality of the selected pruning decision. We first prove that Spearman and Kendall agreement can approach one while normalized selection regret remains maximal. We then derive sufficient conditions based on uniform error, selector suboptimality, decision margin, density ratio, and comparison mass. The analysis also yields a finite pool certificate with an explicit excess cost bound. Four studies test different links in this argument. External TextbookQA confirmation is heterogeneous: 7 of 20 simultaneous intervals favor the surrogate-selected mask, 6 favor its fixed comparator, and 7 cross zero. On a fixed Natural Questions pool, strict improvement holds in one of four settings. A controlled QQP experiment supports the proposed coverage mechanism in all 16 prespecified endpoints, although the sufficient bounds are conservative. Finally, a restricted OSSCAR reconstruction study on OPT-125M shows better local than broad fidelity in 68 of 75 primary endpoints. Independent fixed-mask confirmation is inconclusive in 24 of 25 endpoints and favors the comparator in one. These results show why predictive fit, decision reliability, and pruning method quality require separate evidence.

Hao Ye, Gaopeng Zhang · 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.