Your paper timeline
Scroll AI takes the way you would scroll a great paper aggregator: quick signal first, deeper critique when something earns your attention, and challenges when a claim feels off.
1579 papers
Trending mixes fresh papers with community signal.
0
cs.LGmath.GN Jennifer Rozenblit, Chenguang Yang, Yuxin Liu et al. · Oct 1, 2026

This paper tackles the tendency of graph diffusion models to lose global topology—such as cycles and higher-order motifs—during local denoising. It introduces MG-Diff, a framework that extracts a discrete Morse skeleton from a graph and conditions generation on this sparse topological backbone. By framing diffusion as traversing a discrete cobordism, the authors aim to anchor the generative trajectory to structurally critical events rather than treating topology as an afterthought. The promise is better preservation of connectivity and improved uncertainty quantification in spatio-temporal forecasting.

Topology is, by its nature and design, suited to structure that is nonlinear, multiscale, and nonstationary - however, within machine learning, its use remains largely confined to topological data analysis. We advocate that tools from low-dimensional topology which have remained almost exclusively contained within the domain of pure mathematics (such as Morse theory) offer a strong, complementary, and yet virtually unexplored perspective on the hidden structure of data-generating processes and learning tasks built upon them. Here we introduce concepts from cobordism theory and harness tools from discrete Morse theory to improve the performance of graph diffusion models through our pipeline MG-Diff. Further, we derive theoretical guarantees and sufficient conditions so that under a positive decision-gap, the Morse-theoretic tools and their application for induced diffusion guidance are stable under small perturbations. Finally, we illustrate the utility of discrete Morse theory in application to graph diffusion models for spatio-temporal graph forecasting and graph regeneration, and argue that these applications are only a small window into the part of what low-dimensional topology can offer to the field of machine learning.
0
cs.LG Seungjun Lee, Ensieh Khazaei, Dimitrios Hatzinakos et al. · Oct 1, 2026

Federated learning suffers from client drift when local data is heterogeneous, slowing convergence and degrading the global model. This paper proposes Activation Sharing Federated Learning (ASFL), a method in which clients exchange hidden-layer activations and labels with a randomly paired peer each round, then perform a partial tail round updating only the deeper layers using the pooled activations before standard local training. The premise is that aligning latent representations directly across clients mitigates heterogeneity more effectively than parameter-space regularization, while partial backpropagation cuts per-round computation.

Federated learning (FL) is a communication-efficient distributed learning paradigm. However, client drift remains one of the most critical challenges, hindering the efficient training of a global model. In this study, we propose a novel latent information sharing scheme that directly mitigates data heterogeneity across clients. Our theoretical and empirical results show that sharing a small amount of hidden-layer activations significantly improves training efficiency while preserving convergence guarantees and data privacy. Furthermore, we compare our method with existing FL approaches designed to address client drift, including FedProx, SCAFFOLD, FedPVR, FedProto, and SplitFed, and demonstrate superior model accuracy under a fixed round budget without incurring excessive communication overhead. Overall, this work presents a promising new knowledge aggregation scheme and provides a comprehensive analysis of the impact of activation sharing on federated optimization.
0
math.NAcs.LGcs.NA Tan Phuong Dong Le · Oct 1, 2026

This paper develops a physics-informed Kolmogorov-Arnold network (KAN) solver for free-boundary PDEs, including elliptic obstacle problems and the time-dependent Stefan problem. The core idea is to replace fixed MLP node activations with learnable univariate B-splines on network edges, aiming for localized resolution of contact sets and moving interfaces. Accurate, parameter-efficient approximation of these coupled unknowns matters because classical mesh-based methods require explicit interface tracking or costly refinement, while standard PINNs may blur sharp free boundaries.

We study free-boundary problems within a physics-informed framework using Kolmogorov-Arnold network (KAN) approximations. The proposed approach incorporates obstacle constraints, partial differential equation (PDE) inequalities, complementarity conditions, and boundary conditions through residual-based loss functions. We consider a linear elliptic obstacle problem, a nonlinear $p$-Laplacian obstacle problem, and a time-dependent one-phase Stefan problem. The proposed KAN solver is compared with physics-informed neural network (PINN) and residual-network baselines. Numerical experiments show that KANs achieve low relative $L^2$ and $L^\infty$ errors while accurately resolving contact regions and moving interfaces. The results indicate that KAN representations provide an effective alternative for solving free-boundary PDEs.
0
cs.LG Bangji Yang, Jingyuan Li, Jiajun Fan et al. · Oct 1, 2026

Test-time scaling is often proposed as a cheaper substitute for larger models, but its practical returns remain murky because prior evaluations usually focus on one domain and rarely charge selection costs to the budget. This paper introduces SELF-POT, a cross-domain benchmark and evaluation framework that charges every model call—including selection, critique, and voting—in actual dollars under fixed output-token caps. Across 350 sealed tasks in mathematics, programming, and agentic workflows, the authors show that extra inference yields wildly different returns depending on the domain and selection rule, and that the real bottleneck is often converting generated coverage into a valid submission rather than generating a correct candidate in the first place. By reframing test-time potential as a measured conversion profile tied to price and failure handling, the work connects empirical scaling behavior to concrete deployment trade-offs.

How much can test-time computation improve a language model, and at what cost? Test-time scaling is widely proposed as a substitute for larger models, but existing comparisons mostly evaluate one domain at a time and rarely charge selection to the budget. We introduce SELF-POT, a benchmark and evaluation framework that measures the test-time potential of a model across competition mathematics, competitive programming, and agentic workflows. SELF-POT separates candidate coverage from final accuracy on static tasks, tracks correctness transitions under revision, and measures protocol completion alongside task success in agentic environments. Under a unified budget rule, it compares Direct inference with parallel sampling and self-revision under fixed multiples of the Direct budget, and charges every model call, including selection and critique, in dollars. This design supports two kinds of comparison: the gain a model obtains from additional inference, and a lower-cost model with additional inference against a stronger model. Across five low-cost reasoning models on 350 sealed tasks, with Claude Opus 5.5 Direct as the reference, the returns depend on the domain, the selection rule, and failure handling. When we replay the retained programming candidate pools, public-example selection raises correct submissions from 376 to 453 of 500 scheduled cells while saving 12-49% of logical API cost across models, and simply retaining an available candidate when judging fails recovers 61 submissions at unchanged cost. On identical mathematics pools, judging with fallback yields 186 correct submissions versus 182 for voting, while voting saves 12-21% of logical API cost. These controlled replays show how selection and failure handling change the gains realized from the same generated candidates, and they quantify the marginal value of a model judge.
0
cs.LG Azal Ahmad Khan, Keshav Ramji, Tahira Naseem et al. · Oct 1, 2026

Adapting LLMs at test time usually requires gradients, task labels, or auxiliary demonstrations. This paper studies whether the input query alone contains enough signal to predict a useful parameter update. The authors propose a query-conditioned distributional hypernetwork that learns to output a distribution over LoRA adapters, trained with a differentiable Monte Carlo approximation of the marginal likelihood. They show that the mean update already outperforms deterministic hypernetworks, and that sampling diverse adapted models at test time provides a novel compute-scaling axis competitive with standard token sampling. Results are demonstrated on models from 1B to 4B parameters.

Hypernetworks have recently shown success in dynamically adapting the parameters of Large Language Models (LLMs) at runtime based on signals such as task descriptions or additional demostrations. Here we ask: how much adaptation signal can be obtained using only the input query to an LLM?. To answer this, we study query-conditioned Hypernetworks for LoRA estimation. Further, we introduce distributional Hypernetworks, able to produce not only point estimates of parameter adaptors, but also a distribution over possible LoRAs. For this we propose a simple end-to-end loss using a differentiable Monte Carlo approximation and explore multiple distribution parametrizations including regression and convex combination variants. Results show that even using the mean of the learned distribution can outperform deterministic hypernetworks. Crucially, the learned distribution enables a different form of test-time scaling: instead of spending additional compute only by sampling more token sequences from a fixed model, we sample weight updates, yielding multiple adapted models for the same query. Performance improves as more weight samples are considered and remains stronger than corresponding token-sampling adaptation baselines. Finally, we find that generated updates can transfer across queries, suggesting that the hypernetwork learns reusable structure in how the model should adapt. Together, these results show that query-conditioned distributions over weight updates can support both adaptation and test-time scaling.
0
stat.MLcs.LGmath-ph Daniel McBride, Pratik Khandagale, Cristina Garcia-Cardona et al. · Oct 1, 2026

Many recent sampling algorithms built on Wasserstein gradient flows (WGF) and forward-only diffusion processes (FODP) come with exponential-convergence guarantees that are often read as proof of fast practical mixing. This paper argues that guarantee is misleading: the canonical KL-induced WGF and overdamped forward diffusion produce the same marginal Fokker--Planck evolution, so they inherit the same metastability and exponentially slow inter-mode transport known in statistical physics. Using spectral-gap and mean-first-passage-time analysis on multimodal targets, the authors show that well-separated modes induce mixing times that scale exponentially with barrier height, and that standard log-linear annealing does not remove this scaling. The conclusion is that purely local, gradient-driven sampling is structurally limited for multimodal distributions, motivating nonlocal transport mechanisms.

There has been a proliferation of sampling algorithms based on Wasserstein gradient flows (WGF) and forward-only diffusion processes (FODP), often accompanied by theoretical guarantees of exponentially fast convergence to the target distribution. These guarantees are frequently interpreted as evidence that such methods can efficiently sample complex multimodal distributions, often supported by empirical results. In this work, we argue that this interpretation is fundamentally misleading. By invoking the Jordan-Kinderlehrer-Otto (JKO) scheme and Otto calculus, we establish that the canonical WGF sampling dynamics and overdamped forward diffusion share the same density evolution and therefore inherit the same metastability and slow-mixing phenomena long understood in nonequilibrium statistical physics. We analyze this family of samplers using two complementary tools -- spectral analysis and mean first-passage time (MFPT) analysis -- and show that well-separated multimodality can induce exponentially long mixing times associated with small spectral gaps and rare inter-mode transitions. For the commonly adopted log-linear annealing schedule studied here, we find that introducing intermediate distributions does not remove the exponential scaling of the total transport time. The limitation is structural rather than implementation-specific: purely local, gradient-driven transport mechanisms can require exponentially long times to transport probability mass across well-separated modes. We argue that this represents a fundamental limitation of WGF- and FODP-based sampling in their standard forms, and motivates future development of fundamentally nonlocal mechanisms for efficient multimodal sampling.
0
cs.LG Jason X. Liu, Sebastian Ibarraran, Frank Hu et al. · Oct 1, 2026

Intrinsically disordered protein regions (IDRs) are essential to cellular function but cannot be designed with structure-based methods because they lack stable folds. This work introduces IDiom, a protein language model pretrained on 54 million predicted IDRs, and RL-SAE, a reinforcement learning method that rewards the activation of interpretable sparse-autoencoder features to control sequence patterns. Together they enable composable, function-targeted generation of disordered sequences, though the results remain purely computational.

Intrinsically disordered protein regions (IDRs) play central roles in cellular processes such as transcriptional regulation, signal transduction, and subcellular localization, yet their functional design remains challenging. Structure-based design methods do not readily apply to IDRs, and existing protein language models are trained on full-length protein sequences, thus learning a prior that is biased towards folded domains. Here, we present IDiom, an autoregressive protein language model trained on IDiom-DB, a dataset of 54 million predicted IDRs curated from the AlphaFold Database. IDiom generates diverse sequences that recapitulate the composition, patterning, motifs, and predicted disorder of natural IDRs. To control function-associated sequence patterns, we also introduce reinforcement learning with sparse autoencoder features (RL-SAE), a post-training method that rewards the generation of sequences that activate specified feature sets. Across eight IDR design tasks, RL-SAE sequences activate, on average, 90% of 30 targeted features, compared to 24% for activation steering. We demonstrate that RL-SAE improves the predicted subcellular localization and transcriptional activity of generated IDRs compared to steering and supervised fine-tuning, and enables features associated with distinct biological functions to be combined within individual sequences. Thus, IDiom and RL-SAE enable interpretable and composable IDR design through explicit control of function-associated sequence features. More broadly, RL-SAE could extend to other protein design settings where interpretable features provide useful design targets. Code is available at https://github.com/rotskoff-group/idiom.
0
cs.LGphysics.app-phphysics.chem-ph Laura Zichi, Gil Harari, Chuin Wei Tan et al. · Oct 1, 2026

Equivariant machine learning interatomic potentials are held back by costly tensor product operations that dominate inference at scale. BranchIP addresses this by introducing lightweight, learned routers inside a single model that adaptively terminate tensor product refinement for individual features, trained with a novel distillation loss. On two realistic reactive systems—CO/Pt catalysis and CsH2PO4 proton conductors—it delivers up to 2.4× inference speedup and 2.6× memory reduction while preserving exact energy conservation and offering chemically interpretable routing patterns.

Equivariant machine learning interatomic potentials (MLIPs) have revolutionized atomistic modeling, but accurate treatment of complex materials and molecular systems demands expensive models. This limits simulation length- and time-scales, with tensor products a key computational bottleneck. The recent emergence of foundation-scale MLIPs further exacerbates this challenge. We present Branch Interatomic Potential (BranchIP), a single-model framework for learned adaptive tensor product computation, trained with a novel distillation loss. In our experiments on two systems of physical interest, a heterogeneous catalysis system and a proton-conducting solid acid electrolyte, BranchIP accelerates MLIPs across model sizes by up to $2.4\times$ while reducing memory usage by up to $2.6\times$. This is achieved while maintaining physical fidelity. Furthermore, the learned adaptive computation provides model interpretability by revealing which interactions demand deeper computation and showing how computational depth relates to chemical complexity and dynamics.
0
physics.ao-phcs.LG C. Daniel Boscu, Daniel Hernandez, Fabio Alvarez Ventura et al. · Oct 1, 2026

Rare weather regime transitions such as sudden stratospheric warmings are challenging to emulate because training data is overwhelmingly dominated by stable regimes. This paper develops a probabilistic ResNet-inspired Conditional Variational Autoencoder (CVAE) for the stochastic Holton-Mass model, a 75-dimensional idealized system with two metastable vortex states and rare noise-driven transitions. By training only on one-day-ahead predictions, the authors show that the emulator reproduces both short-term dynamics and demanding long-term statistics, and that unsupervised clustering of its 32-dimensional latent space yields four physically interpretable regime clusters. The results suggest a proof-of-concept pathway toward interpretable early warning systems for extreme events, although the study remains confined to a simplified testbed.

Rare weather regime transitions pose a challenge for data-driven modeling due to class imbalance. In this study, we develop a probabilistic deep learning emulator for a prototypical system with regime transitions, the stochastic Holton--Mass model of stratospheric variability, and analyze the structure of its learned latent space. The Holton--Mass model exhibits two metastable regimes, a strong and a weak polar vortex, maintained by nonlinear wave--mean flow interactions, with weak stochastic forcing intermittently triggering rare transitions between these regimes that qualitatively represent SSW events. We employ a ResNet-inspired Conditional Variational Autoencoder with six-layer encoder and decoder layers and explicit current-state conditioning to model the distribution of the system's state at the next time step (one day). The emulator accurately reproduces short-term dynamics, steady-state probability distributions, regime persistence statistics, rare transition rates, the transition committor function, and the transition expected lead time of the physical model. Beyond emulation fidelity, we interrogate the learned latent representation to understand how the model internalizes the underlying metastable structure of the dynamics. Principal Component Analysis of the 32-dimensional latent space reveals a clear and unsupervised separation into four physically interpretable clusters corresponding to strong versus weak vortex regimes and stable versus transition-prone configurations. Such emergent regime separation in latent space is hard to identify for deep generative models applied to high-dimensional stochastic systems. Our results show that carefully designed probabilistic emulators can uncover physically meaningful manifolds governing extreme-event dynamics, potentially aiding the development of improved operational advanced warning systems.
0
cs.NEcs.LG Jose A. Ayala-Romero, Andres Garcia-Saavedra, Xavier Costa-Perez · Oct 1, 2026

TRACE targets dynamic resource assignment in industrial systems where processing times, energy profiles, and queue capacities are unknown a priori. While existing LLM-based Automatic Heuristic Design learns only from scalar fitness scores, TRACE couples an evolutionary loop with an agentic workflow that distills noisy system logs into insights and executable surrogate models. This feedback turns blind trial-and-error into data-driven design, yielding heuristics that cut cost by over an order of magnitude relative to prior AHD methods and reduce energy by 65% against industry standards without sacrificing reliability.

Dynamic resource assignment, the real-time allocation of task streams to heterogeneous processing nodes, is the backbone of modern computing infrastructure. While learning-based schedulers excel in research, industrial deployments still rely on hand-written rules that operators can read, audit, and execute within tight latency budgets. LLM-based Automatic Heuristic Design (AHD) promises to automate writing such rules. However, existing AHD frameworks were developed for combinatorial problems fully specified to the LLM, and they learn only from a scalar fitness score. In real systems, the behaviour that determines a good heuristic, such as processor speeds or power consumption, is unknown a priori: the score reveals which heuristic performs better, but not why. This missing information is recorded in the system logs that every evaluation produces. Exploiting it is non-trivial: logs are massive and noisy, the relevant signals depend on the objective, and their content and format vary across hardware and software stacks, so they can neither be fed to an LLM as is nor processed by a fixed parser. We propose TRACE, which couples an evolutionary AHD loop with an agentic knowledge-extraction workflow. A Reasoner agent analyzes the log schema in light of the objective and formulates hypotheses about the system dynamics; a Coder agent writes and executes schema-specific code to test them, producing insights or executable tools for the evolved heuristics. We evaluate TRACE on a synthetic cloud benchmark and a 5G vRAN scenario built from industrial testbed measurements and operational traffic traces. TRACE consistently outperforms state-of-the-art AHD methods in resource assignment problems and yields more auditable heuristics at under 2% overhead.
0
cs.CVcs.AIcs.LG Tianjiao Yu, Xinzhuo Li, Yifan Shen et al. · Oct 1, 2026

SILSA tackles the cost and topological fragility of high-resolution 3D generation by replacing dense or sparse voxel tokens with compact sliding-window slice latents along the three canonical axes. Each of the 384 fixed tokens summarizes a local depth window, preserving cross-sectional continuity while enabling a single-stage rectified-flow generator. Topology-aware slice supervision and a Volumetric Anchor Lattice then maintain geometric and structural coherence. The paper reports large efficiency gains—over 98% fewer tokens than sparse voxelizers—and solid improvements in PSNR, coverage, and Betti error.

High-resolution 3D generation increasingly relies on voxel latents and multi-stage pipelines that first predict active structure and then synthesize local geometry. While effective, this design fragments continuous surfaces into many local tokens, inflates generation cost, and often weakens topological consistency for thin or highly connected shapes. We introduce SILSA, a topology-aware 3D generation framework that represents shapes with compact sliding-window slice latents. Instead of generating expensive voxel tokens, SILSA uses a fixed set of overlapping slices along the three canonical axes, where each token summarizes a local depth window to preserve cross-sectional continuity and support single-stage rectified-flow generation. A Slice VAE encodes oriented surface samples into multi-axis slice latents and reconstructs them with a sparse volumetric decoder, while a Volumetric Anchor Lattice coordinates directional slice streams through a shared 3D workspace. To preserve structural correctness, we introduce slice-level topology supervision that matches persistence diagrams and aligns Betti transitions across neighboring slices. Experiments show that SILSA improves structural fidelity while substantially reducing generation cost. SILSA improves PSNR by $8.7\%$, coverage by $5.96$ absolute points, and Betti error by $9.2\%$ over the strongest baseline, while using $70.0\%$ fewer tokens than the next-most compact baseline and over $98\%$ fewer tokens than sparse or hierarchical tokenizers, effectively reducing training memory by $40.4\%$ and inference time by $58.5\%$. Qualitative results further show improved preservation of thin structures, repeated components, and long-range connectivity.
0
cs.LG Tristan Shah, Wooyoung Chung, Volodomyr Makarenko et al. · Oct 1, 2026

Unsupervised reinforcement learning aims to eliminate hand-crafted rewards, yet existing intrinsic motivation objectives either require selecting information variables or serve only as exploration bonuses. This paper introduces Forward CIP (F-CIP), an exact forward-in-time decomposition of the Controllable Information Production (CIP) objective—defined by the sum of positive open-loop Lyapunov exponents—into a per-step Markovian reward and a propagated information matrix memory. By doing so, it enables standard RL algorithms to unsupervisedly discover upright balancing and to simplify reward engineering for dynamic locomotion tasks.

Reinforcement learning (RL) is a powerful paradigm for training agents, yet its success rests on domain expertise of human engineers who design informative reward signals for every new task. Unsupervised RL aims to reduce this engineering with intrinsic motivation (IM): reward signals that emerge from the agent environment interaction itself. Existing IM objectives, however, involve the selection of information variables, which re-introduces domain expertise the field has sought to eliminate. We introduce Forward CIP (F-CIP), an RL-native formulation of the Controllable Information Production (CIP) objective, which is defined by the system's dynamics alone and requires no such selection. We prove that F-CIP is compatible with RL and demonstrate its effectiveness with existing algorithms. Training agents with F-CIP results in unsupervised discovery of primitive behaviors such as balancing and maintaining controllability, which are essential for more complex robot behaviors. Paired with a simple forward-velocity reward, our method produces coordinated gaits such as hopping and running which otherwise require reward engineering to learn.
0
cs.SDcs.LGeess.AS Haider Al-Tahan, Sean O'Brien, Anastasia Razdaibiedina et al. · Oct 1, 2026

Sound classification with transformers usually demands stacking many layers, which inflates parameters and compute. LAST asks whether the same blocks can be reused to refine only a single class token while keeping audio features fixed, trading depth for recurrence. Their looped Audio Spectrogram Transformer matches or exceeds deeper sequential baselines on AudioSet at roughly half the parameter count, suggesting that how tokens are updated matters as much as how many layers exist.

Increasing depth of transformer models improves recognition, but it comes at a substantial cost. Each additional layer requires more parameters, which makes the process computationally inefficient. We ask whether additional processing can focus on integrating features already computed. Looped Audio Spectrogram Transformer (LAST) first processes all tokens, then reuses the same blocks to refine only the class token over fixed audio features, thereby making later passes inexpensive. On AudioSet, ten-pass LAST achieves 0.345 mean average precision, exceeding a twelve-layer sequential transformer by 2.1% relative with 49.4% fewer parameters, 42% fewer multiply-accumulate operations, and 9.8% higher measured throughput. Across separately trained models, increasing the pass count from two to ten improves accuracy while adding only 1.2% computation. Further evaluations show improved robustness to temporal masking and various other auditory augmentations, with better generalization on classification tasks with music, environmental, and event sounds.
0
cs.CVcs.LG Hossein Maghsoumi, George Atia, Yaser P. Fallah · Oct 1, 2026

This work tackles street-view weather recognition under severe domain shift, where labeled training images come from generic outdoor datasets and real driving scenes are unlabeled at training time. The proposed Weather-Aware ADDA conditions the adversarial domain discriminator on predicted weather probabilities, encouraging alignment that remains sensitive to weather semantics. The idea is to enable reliable onboard camera-based perception for autonomous vehicles without requiring expensive labeled street-view data for every adverse condition.

Adverse conditions such as rain, snow, fog, and dust remain challenging for camera-based perception in autonomous driving. We study multi-class weather recognition from street-view images under domain shift, where most available training data come from non-street-view sources that differ markedly from real driving scenes. We propose Weather-Aware Adversarial Discriminative Domain Adaptation (WA-ADDA), which conditions the domain discriminator on predicted weather to promote features that are both domain-invariant and weather-sensitive. We also assemble a multi-dataset benchmark by unifying diverse non-street-view weather collections as sources and real street-view images as targets, and define a standardized evaluation protocol with macro accuracy as the primary metric. Across backbones (ResNet-50, EfficientNet, VGG, DenseNet), WA-ADDA consistently improves street-view performance and yields strong per-class recalls in challenging conditions while preserving clear-weather accuracy. These findings highlight the feasibility of domain-adapted weather recognition and the value of our benchmark for advancing robust, on-board perception.
0
cs.LGcs.AI Yiming Huang, Yujie Zeng, Vijay Prakash Dwivedi et al. · Oct 1, 2026

This paper introduces Higher-order Grammar Representation (HGR), a method that lifts molecular graphs into combinatorial complexes and parses them into compact sequences of context-free production rules, making higher-order topology such as ring systems tractable for standard sequence models. To reduce benchmark bias toward simple rings, the authors also construct RingDiv, a ring-enriched benchmark of 1.18 million molecules. HGR is instantiated in generative models (HGR-VAE and HGR-LDF) and a foundation model (HGR-FM), with claims of 100% validity by construction and state-of-the-art distributional alignment and transfer performance.

Molecular learning models are strongly shaped by their underlying representations. Yet standard sequential and graph formalisms struggle to explicitly encode higher-order topology, such as ring systems and recurring motifs. Existing higher-order representations can capture these structures directly, but they are often computationally demanding and difficult to decode into valid molecules. Here, we introduce Higher-order Grammar Representation (HGR), a principled, topology-aware framework that lifts molecules to combinatorial complexes and parses each complex into a compact sequence of production rules under a context-free higher-order grammar. By serialising higher-order topology into rule sequences, HGR makes these structures directly compatible with standard sequence models, avoiding the computational overhead of explicit higher-order encodings while preserving topological expressiveness. To reduce benchmark bias towards simple ring systems, we construct RingDiv, a ring-enriched benchmark containing 1.18 million molecules, including the curated RingDiv300k subset, and introduce the ring diversity index (RDI) to quantify ring-system coverage. In molecular generation, HGR-based models uniquely combine 100% validity by construction with leading distributional alignment, ranking first in FCD on all five generation benchmarks. In representation learning, HGR-FM achieves the highest mean AUC across seven MoleculeNet benchmarks under both transfer protocols, improving on the strongest baseline by 8.3 and 3.3 AUC points under probing and full fine-tuning, respectively. Collectively, these results establish HGR as an efficient higher-order representation for molecular generation and transferable representation learning.
0
cs.SDcs.CLcs.LG Serli Kopar, Alkis Koudounas, Roshan P. Rane et al. · Oct 1, 2026

Speech-based Alzheimer's assessment increasingly relies on self-supervised learning models, but their vulnerability to nuisance acoustic factors remains unclear. This paper asks whether noise and reverberation are merely encoded in SSL representations or actively drive diagnostic predictions. Using controlled input- and representation-space interventions on the ADReSSo dataset, the authors show that acoustic manipulations systematically shift classifier outputs even when no baseline group difference exists, challenging the assumption that predictive accuracy implies robustness.

Speech-based Alzheimer's disease (AD) assessments increasingly rely on pretrained self-supervised learning (SSL) models that learn acoustic representations directly from raw audio, exposing the model to recording factors. We ask whether such factors are merely encoded in SSL representations or can systematically alter predictions. Using ADReSSo and three large SSL backbones, we apply controlled noise and reverberation interventions to participant-speech-only, non-speech, and full-recording audio. We combine layer-wise linear decoding, input- and representation-space interventions, and geometric alignment analysis to distinguish acoustic decodability from influence on AD prediction. Our results show that controlled acoustic interventions alter AD predictions across all three SSL backbones. Noise, despite showing no significant diagnostic-group difference in the original data, produces the strongest intervention effects. Importantly, these effects are systematically structured relative to the classifier's decision direction, replicate on the held-out test set and reverse when the representation-space intervention direction is reversed. Together, these findings show that high predictive performance and the absence of a significant diagnostic-group difference in a measured acoustic factor are not sufficient for robustness. We argue that intervention-based robustness tests should become standard for trustworthy clinical speech models.
0
cs.LG Daniel Bethell, Charmaine Barker, Simos Gerasimou · Oct 1, 2026

Deep neural networks in long-lived systems often face task obsolescence, where previously valid outputs become invalid after deployment. Deep Repurposing (DR) addresses this by analytically redirecting obsolete latent structure toward retained regions instead of simply erasing it. This enables lightweight post-hoc adaptation without gradient updates, achieving retained performance comparable to or better than unlearning and editing baselines while operating up to 60× faster than retraining.

Deep neural networks are increasingly deployed in long-lived systems, where task requirements may change after training. In such settings, part of the original output space may become obsolete: a class, prediction region, or learned behaviour may no longer be valid. Existing approaches either leave the obsolete behaviour intact or require fine-tuning, which can be expensive. We propose Deep Repurposing (DR), a post-hoc framework for adapting models under task obsolescence. DR estimates the latent geometry of obsolete and retained regions, removes obsolete-supporting components, and reallocates retained-compatible evidence through an analytic repair map without gradient updates. This yields repaired predictions and representations in which obsolete regions no longer act as valid outputs, while useful obsolete structure can support the retained task. Across multiple task settings, DR removes obsolete behaviour while preserving retained utility. More importantly, across classification benchmarks, DR matches or exceeds competing unlearning and editing baselines in retained accuracy, eliminates obsolete predictions, and adapts up to $60\times$ faster than competing unlearning methods.
0
cs.CVcs.LG Asaf Vanunu, Boaz Nadler, Arnon Karnieli · Oct 1, 2026

Operational geostationary fire products like the GOES Fire Detection and Characterization (FDC) suffer from high false-alarm rates and poor nighttime recall. This study replaces the FDC's rule-based algorithm with a CatBoost gradient-boosting model trained on over 60,000 GOES ABI fire pixels labeled by VIIRS active-fire detections. By evaluating on large 2024 regions outside the training domain, the authors show that a comparatively simple ML model can substantially outperform the operational product in precision, recall, and early detection latency, especially after dark.

Wildfires pose severe risks to human life, ecosystems, and property. This study presents a machine learning approach for wildfire detection from GOES ABI imagery. A CatBoost model was trained on a large dataset with thousands of ABI images and over 300,000 matching VIIRS fire detections. An evaluation on a separate dataset across five regions showed that the learned CatBoost model outperformed the operational GOES Fire Detection and Characterization (FDC) product. It achieved higher precision, recall, and F1 scores both within and outside the training area. The CatBoost model achieved F1 scores that were 0.16 to 0.38 higher than the GOES FDC in all regions. In addition, out of 51 historical fire events, the CatBoost detected 26 fires before both VIIRS and GOES FDC, compared to only six earlier detections by the GOES FDC. Importantly, the CatBoost model achieved accurate wildfire detection also during nighttime, whereas the GOES FDC obtained very low recall values, around 0.03. This study demonstrates that machine learning models may offer significant improvements over existing geostationary fire products, including higher accuracy, fewer false alarms, and earlier detection.
0
quant-phcs.LG Yibin Wang · Oct 1, 2026

How complex can a quantum device's responses become when it runs longer with a fixed internal memory? This paper quantifies this through sequential response capacity—the depth of an adaptively shattered binary tree of experiments—and proves a tight law: for fixed visible and memory dimensions, capacity grows as $\Theta(K\log((K+1)/\gamma))$ in run length $K$ and probability gap $\gamma$. The core construction shows that memory-one qubit phase channels already attain this scaling with exact zero-or-one responses, while fully measured classical processes under the same tester permissions are limited to linear capacity. The result establishes a fundamental information-theoretic separation between coherent quantum control and classical stochastic transitions under a finite memory budget.

How complex can the responses of a quantum device become as it runs longer with a fixed internal memory? We quantify this complexity through sequential response capacity: how many adaptive testing stages, each using a fresh run, can continue to separate possible processes by a prescribed gap in response probabilities. For fixed system and memory sizes, we establish a tight law relating this capacity to run length and probability resolution. At fixed resolution, the capacity grows on the order of $K\log K$, where $K$ is the number of time steps in each run. Our construction attains this growth using time-dependent phase rotations on a single visible qubit with no additional internal memory; its tests give response probabilities exactly zero or one. Under the same tests, classical stochastic processes that measure in a fixed basis at every step have only linear capacity at fixed sizes and resolution. For phase sequences selected by a stored classical label, we then quantify how known independent Pauli noise changes this logarithmic enhancement. With ideal controls and weak residual phase noise after correction, we prove matching capacity bounds at a fixed small probability gap. These bounds identify the inverse residual phase-flip probability as the coherence timescale that limits the extra logarithmic growth.
0
cs.LG Weihao Liu, Huangjie Zheng, Tianrong Chen et al. · Oct 1, 2026

Looped Transformers reuse the same parameter block across recurrent iterations, producing intermediate states that are usually discarded at decode time. This paper proposes LoopCD, a training-free contrastive decoding framework that treats an early recurrent state as a weak predictor to guide the final prediction, either in logit space (one extra output pass) or hidden-state space (zero extra overhead). The core insight is that recurrence naturally provides aligned weak-and-strong pairs without auxiliary models, and the authors show this can both boost accuracy at full depth and—more interestingly—allow halving the iterations while matching baseline performance, cutting forward FLOPs by roughly 23–48%.

Looped Transformers achieve parameter efficiency by repeatedly executing a shared block across recurrent loops. Each loop yields an intermediate representation decodable for the same next token, yet standard decoding discards earlier states. Because earlier loops embody less computation, recurrence inherently supplies aligned weak-and-strong prediction pairs without auxiliary models or external training. We introduce LoopCD, a training-free contrastive decoding framework that guides token selection by contrasting the final prediction with an earlier recurrent pass, operating either in logit space with one extra output pass (LoopCD-Logits) or in hidden-state space with zero output overhead (LoopCD-Hidden). Across four looped Transformer families, LoopCD delivers substantial, consistent gains at full recurrent depth: LoopCD-Logits raises Ouro-2.6B-Thinking's AIME 2024 pass@1 from 61.88% to 73.33%, while LoopCD-Hidden lifts Huginn's HumanEval pass@1 from 22.56% to 31.71%. Crucially, these performance gains enable halving the number of recurrent loops while still matching or exceeding full-depth unguided baselines, reducing forward FLOPs by 22.5% to 48.2%. By transforming intermediate recurrent states into effective guidance signals, LoopCD achieves superior decoding quality while substantially reducing inference compute.